A0A096NMR1_PAPAN Loading...

dual-specificity kinase

AlphaFold DB , UniProt , Accession A0A096NMR1, Species PAPAN (Papio anubis, Olive baboon), Gene CLK3, Length 638 aa.

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Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.8	Very low	35.4	Very low	234 Å²	234	157.2 Å²	157.2	100%	1.153	80%	0.795	S	S	*	*				0	148.9	0	-65.9	-42.6	-177.5	0	0	109
2	P	51.3	Low	35.6	Very low	113 Å²	113	150.4 Å²	150.4	73%	0.734	78%	0.781	S	S	*	*				-113.8	154.7	-110	39.7	-39.4	0	0	0	118
3	V	33.7	Very low	35.6	Very low	125 Å²	125	149.1 Å²	149.1	76%	0.758	78%	0.776	S	S	*	*				44.8	109.3	129.5	-174.8	0	0	0	0	120
4	L	33.5	Very low	35.7	Very low	156 Å²	156	150.6 Å²	150.6	82%	0.817	78%	0.776	S	S	*	*			trans	50.9	143.7	135.9	-63	175.1	0	0	0	124
5	S	33.6	Very low	35.8	Very low	122 Å²	122	147.1 Å²	147.1	85%	0.853	78%	0.779	S	S	*	*			trans	100.2	137.4	134.5	75	0	0	0	0	119.8
6	A	41	Very low	35.7	Very low	96 Å²	96	141.8 Å²	141.8	79%	0.793	77%	0.771	S	S	*	*			trans	-100.2	162.4	172.5	0	0	0	0	0	111.2
7	R	32.3	Very low	35.6	Very low	227 Å²	227	141.5 Å²	141.5	86%	0.857	78%	0.781	S	S	*	*			trans	-83.2	135.3	169.2	-79.2	-177.7	171	-166.8	-1.5	109.8
8	R	34.6	Very low	35.5	Very low	217 Å²	217	137.4 Å²	137.4	82%	0.819	78%	0.777	S	S	*	*				49.4	136.3	107.3	-59.4	-172.5	171.7	-164.6	-1.2	114.6
9	R	34.8	Very low	35.5	Very low	177 Å²	177	142.1 Å²	142.1	67%	0.668	78%	0.781	S	S	*	*			cis	-164	-157.5	-5.7	-103.1	179.6	141.2	-155	2.6	103.9
10	E	31.1	Very low	35.5	Very low	141 Å²	141	146.4 Å²	146.4	66%	0.659	79%	0.785	S	S	*	*			cis	-127.7	157.8	-1.8	-84	-162.7	171.7	0	0	107.5
11	L	35.4	Very low	35.3	Very low	121 Å²	121	145 Å²	145	63%	0.634	79%	0.787	S	S	*	*				59.1	129.1	58.2	-68.2	170.3	0	0	0	112.4
12	A	37.9	Very low	35.7	Very low	76 Å²	76	137.2 Å²	137.2	63%	0.628	77%	0.766	S	S	*	*			cis	-153.3	154.2	4.1	0	0	0	0	0	112.9
13	D	35.9	Very low	35.7	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	77%	0.772	S	S	*	*			trans	57.2	153.3	135.1	-70.8	-47.6	0	0	0	122.4
14	H	37.5	Very low	35.9	Very low	170 Å²	170	137.3 Å²	137.3	79%	0.787	77%	0.772	S	S	*	*			cis	-146.9	-173.8	10.9	-134.3	21.8	0	0	0	113.8
15	A	37.3	Very low	36.8	Very low	98 Å²	98	135.8 Å²	135.8	81%	0.81	77%	0.771	S	S	*	*			trans	-58.9	167.1	-174.7	0	0	0	0	0	116.9
16	G	33.7	Very low	36.9	Very low	63 Å²	63	134.5 Å²	134.5	65%	0.649	77%	0.768	S	S	*	*			cis	145.1	158.2	-7.2	0	0	0	0	0	114.7
17	S	34.4	Very low	36.6	Very low	136 Å²	136	135 Å²	135	95%	0.951	77%	0.772	S	S	*	*			trans	62.9	142.4	172.6	70	0	0	0	0	119.2
18	G	32.8	Very low	36.5	Very low	68 Å²	68	127.9 Å²	127.9	70%	0.701	77%	0.77	S	S	*	*			cis	160.3	160.8	-14.5	0	0	0	0	0	115.6
19	R	35.9	Very low	36.3	Very low	227 Å²	227	123.5 Å²	123.5	86%	0.857	77%	0.772	S	S	*	*			trans	75.4	122.4	168.4	-57.9	-176.4	174.1	-154.8	-1.8	116.5
20	R	35.3	Very low	36	Very low	228 Å²	228	118.5 Å²	118.5	86%	0.86	78%	0.776	S	S	*	*				68.8	137.3	99.3	-63.3	-179.7	-180	-157.1	-1	113.6
21	S	32.3	Very low	37.3	Very low	118 Å²	118	117.5 Å²	117.5	83%	0.825	78%	0.781	S	S	*	*			cis	-158.2	175.2	8.6	33.8	0	0	0	0	111.4
22	G	36	Very low	37.2	Very low	69 Å²	69	120.2 Å²	120.2	71%	0.711	79%	0.791	S	S	*	*			trans	-77.4	-163.8	175.3	0	0	0	0	0	114.7
23	P	50.5	Low	37	Very low	132 Å²	132	122.6 Å²	122.6	86%	0.857	80%	0.797	S	S	*	*			cis	-135.5	-165.5	20.5	42.9	-24.1	0	0	0	116.2
24	S	37.3	Very low	36.8	Very low	108 Å²	108	121.8 Å²	121.8	76%	0.755	80%	0.802	S	S	*	*			trans	-69.1	177.1	170.8	-43.9	0	0	0	0	113.3
25	P	54.3	Low	36.6	Very low	125 Å²	125	118 Å²	118	81%	0.812	80%	0.8	S	S	*	*			cis	-149.9	-168.9	22.1	43	-20.2	0	0	0	119.1
26	A	34.6	Very low	36.2	Very low	94 Å²	94	121.2 Å²	121.2	78%	0.777	80%	0.803	S	S	*	*			trans	115.3	124.6	138.8	0	0	0	0	0	123
27	A	34.4	Very low	36.2	Very low	106 Å²	106	129.4 Å²	129.4	88%	0.876	81%	0.814	S	S	*	*			trans	76.7	138	134.9	0	0	0	0	0	125.3
28	G	29.6	Very low	36.1	Very low	79 Å²	79	126.7 Å²	126.7	81%	0.814	80%	0.8	S	S	*	*			trans	89.2	147	162.8	0	0	0	0	0	116.8
29	S	32.2	Very low	36	Very low	124 Å²	124	131.8 Å²	131.8	87%	0.867	81%	0.806	S	S	*	*			cis	-169.1	150	-15.6	48.1	0	0	0	0	109.9
30	G	28.7	Very low	35.6	Very low	73 Å²	73	128.8 Å²	128.8	75%	0.753	81%	0.806	S	S	*	*			trans	-97.4	-155.4	171.1	0	0	0	0	0	113.1
31	P	58.2	Low	35.4	Very low	119 Å²	119	121.8 Å²	121.8	77%	0.773	80%	0.797	S	S	*	*			cis	-138.1	177.5	-8.5	43.5	-27.2	0	0	0	115.2
32	H	33.2	Very low	35.2	Very low	179 Å²	179	127.7 Å²	127.7	83%	0.829	80%	0.801	S	S	*	*			trans	-174.4	138.3	153.9	-100.5	-81.3	0	0	0	107.1
33	V	34.1	Very low	34.9	Very low	126 Å²	126	129.2 Å²	129.2	76%	0.764	81%	0.807	S	S	*	*			cis	76.6	133.2	38.7	-180	0	0	0	0	112.5
34	S	30.6	Very low	34	Very low	115 Å²	115	128 Å²	128	80%	0.804	81%	0.807	S	S	*	*			cis	-125.3	-147.2	13.4	68.7	0	0	0	0	114.9
35	A	32.6	Very low	33.7	Very low	92 Å²	92	131.8 Å²	131.8	76%	0.76	81%	0.813	S	S	*	*			trans	-158.6	150.2	-166.1	0	0	0	0	0	114.7
36	L	30.4	Very low	32.6	Very low	165 Å²	165	134 Å²	134	86%	0.864	82%	0.817	S	S	*	*			trans	-155.5	140.5	168.8	-94.5	144.6	0	0	0	108.3
37	R	33.3	Very low	32.5	Very low	234 Å²	234	135 Å²	135	88%	0.883	82%	0.819	S	S	*	*			cis	66.6	138.7	35.2	-76.5	-171.9	168.7	-171.8	-2.1	115.3
38	A	32.6	Very low	32.2	Very low	79 Å²	79	133.1 Å²	133.1	65%	0.653	81%	0.809	S	S	*	*			cis	-172	161	-20.1	0	0	0	0	0	111.7
39	Q	29.7	Very low	32.3	Very low	176 Å²	176	141.9 Å²	141.9	82%	0.822	82%	0.818	S	S	*	*			trans	72.7	153.6	142.3	-99.1	179.2	-1.6	0	0	123.6
40	L	28.6	Very low	32.2	Very low	164 Å²	164	139 Å²	139	86%	0.859	81%	0.807	S	S	*	*			trans	68.1	161.8	163.2	-60.5	166.7	0	0	0	119
41	A	29.8	Very low	32.3	Very low	81 Å²	81	142.3 Å²	142.3	67%	0.669	81%	0.813	S	S	*	*			cis	-167.6	151.2	-41	0	0	0	0	0	112.8
42	R	28.8	Very low	30.9	Very low	242 Å²	242	146.8 Å²	146.8	91%	0.913	82%	0.816	S	S	*	*			trans	46.9	121.6	152.7	-81.9	-174.5	169.1	-176.2	-3.2	122.4
43	A	29.9	Very low	30.8	Very low	101 Å²	101	144.8 Å²	144.8	84%	0.835	82%	0.816	S	S	*	*				78.1	123.1	125	0	0	0	0	0	122
44	A	30.8	Very low	30.6	Very low	105 Å²	105	147.2 Å²	147.2	87%	0.868	81%	0.812	S	S	*	*			trans	-146.6	130	142.6	0	0	0	0	0	109.7
45	H	31	Very low	30.6	Very low	188 Å²	188	152.9 Å²	152.9	87%	0.87	82%	0.816	S	S	*	*			trans	-94.8	146	165.3	-107.2	-74	0	0	0	108.5
46	L	32.1	Very low	30.8	Very low	171 Å²	171	152.8 Å²	152.8	90%	0.895	80%	0.802	S	S	*	*			trans	-159.3	162.8	149.8	-110.4	170.3	0	0	0	110.4
47	S	32.3	Very low	31.2	Very low	117 Å²	117	151.1 Å²	151.1	82%	0.818	80%	0.799	S	S	*	*			trans	-149.7	148.9	-163.8	56.1	0	0	0	0	115.2
48	G	28.3	Very low	31.4	Very low	66 Å²	66	144.8 Å²	144.8	68%	0.68	80%	0.797	S	S	*	*			trans	166.9	127.4	175.1	0	0	0	0	0	108.6
49	R	32.3	Very low	31.3	Very low	262 Å²	262	144.7 Å²	144.7	99%	0.989	80%	0.803	S	S	*	*				56.1	120.7	63.8	-64.6	-171.1	176.6	-159.3	1.3	112.3
50	G	28.9	Very low	31.3	Very low	63 Å²	63	140.3 Å²	140.3	65%	0.649	81%	0.805	S	S	*	*			cis	164.5	-179.9	-6.1	0	0	0	0	0	112.5
51	T	30.4	Very low	31.3	Very low	143 Å²	143	136.2 Å²	136.2	88%	0.877	80%	0.803	S	S	*	*			trans	63.8	164.5	167.1	56.3	0	0	0	0	119.9
52	Y	30.2	Very low	32.5	Very low	213 Å²	213	138.9 Å²	138.9	84%	0.835	81%	0.814	S	S	*	*			cis	-173.8	120.9	-49.7	-140.6	-73.6	0	0	0	111
53	V	29.4	Very low	32.8	Very low	138 Å²	138	130.3 Å²	130.3	84%	0.836	80%	0.801	S	S	*	*			trans	-159	139.9	169.4	-176.5	0	0	0	0	108.5
54	R	30.6	Very low	33.1	Very low	177 Å²	177	137.5 Å²	137.5	67%	0.668	81%	0.806	S	S	*	*			cis	93.4	87.2	-6.1	-156.3	-103.9	158	97	6.8	121.3	D56	R54-D56 IonicContact CZ-OD1 2.74Å; R54-D56 IonicContact CZ-OD2 3Å; R54-D56 IonicContact NE-OD1 3.15Å; R54-D56 PolarHBondContact NE-OD1 2.94Å; R54-D56 IonicContact NE-OD2 3.89Å; R54-D56 PolarHBondContact NE-OD2 2.93Å; R54-D56 VanDerWaalsContact NH2-CG 3.34Å; R54-D56 IonicContact NH2-OD1 2.67Å; R54-D56 PolarHBondContact NH2-OD1 3.02Å; R54-D56 IonicContact NH2-OD2 3.58Å; R54-D56 PolarHBondContact NH2-OD2 2.75Å; R54-D56 VanDerWaalsContact NH2-OD2 3.15Å
55	R	30.2	Very low	33.2	Very low	234 Å²	234	136.5 Å²	136.5	88%	0.883	80%	0.798	S	S	*	*			trans	-148.3	127.1	135.3	-92.3	-175	174.4	169.1	-1.3	107.2
56	D	37.4	Very low	33.4	Very low	90 Å²	90	139.3 Å²	139.3	48%	0.481	80%	0.801	S	S	.	*				81.1	136.6	58.9	-66.2	-42.3	0	0	0	112.7	R54	R54-D56 IonicContact CZ-OD1 2.74Å; R54-D56 IonicContact CZ-OD2 3Å; R54-D56 IonicContact NE-OD1 3.15Å; R54-D56 PolarHBondContact NE-OD1 2.94Å; R54-D56 IonicContact NE-OD2 3.89Å; R54-D56 PolarHBondContact NE-OD2 2.93Å; R54-D56 VanDerWaalsContact NH2-CG 3.34Å; R54-D56 IonicContact NH2-OD1 2.67Å; R54-D56 PolarHBondContact NH2-OD1 3.02Å; R54-D56 IonicContact NH2-OD2 3.58Å; R54-D56 PolarHBondContact NH2-OD2 2.75Å; R54-D56 VanDerWaalsContact NH2-OD2 3.15Å
57	T	38.9	Very low	34.3	Very low	129 Å²	129	136.6 Å²	136.6	79%	0.791	79%	0.793	S	S	*	*			cis	-158.7	168.3	2.5	5.3	0	0	0	0	108.6
58	A	36.7	Very low	34.3	Very low	101 Å²	101	139.4 Å²	139.4	84%	0.835	80%	0.798	S	S	*	*			cis	-129.4	-122.8	2.1	0	0	0	0	0	110.2
59	G	30.4	Very low	34.6	Very low	77 Å²	77	143.8 Å²	143.8	79%	0.794	81%	0.806	S	S	*	*			cis	153.6	144	-3.6	0	0	0	0	0	110.6
60	G	30	Very low	35.8	Very low	84 Å²	84	136.8 Å²	136.8	87%	0.866	80%	0.795	S	S	*	*			cis	-148.5	167.9	-8	0	0	0	0	0	112.1
61	G	29.9	Very low	36.7	Very low	78 Å²	78	140 Å²	140	80%	0.804	80%	0.804	S	S	*	*			trans	-100.5	-144.9	-177.2	0	0	0	0	0	113.7
62	P	55.1	Low	36.8	Very low	138 Å²	138	136.1 Å²	136.1	90%	0.896	79%	0.793	S	S	*	*			cis	-121.6	-172.4	3.1	42.1	-27.3	0	0	0	113
63	G	33.5	Very low	37	Very low	62 Å²	62	132.9 Å²	132.9	64%	0.639	80%	0.795	S	S	*	*			cis	-165.7	148.5	-1.9	0	0	0	0	0	110.2
64	R	36.7	Very low	37.1	Very low	251 Å²	251	130.7 Å²	130.7	95%	0.947	79%	0.786	S	S	*	*				74.7	135.5	89.7	-73.2	-168.4	177.3	-151.8	1.6	115.4
65	A	32.6	Very low	37.2	Very low	85 Å²	85	129.6 Å²	129.6	70%	0.702	79%	0.793	S	S	*	*			cis	-165.1	138.1	-10.7	0	0	0	0	0	114.8
66	R	35.2	Very low	37.3	Very low	246 Å²	246	130.4 Å²	130.4	93%	0.928	80%	0.796	S	S	*	*			trans	52.9	156.3	140	-76.2	-168.6	173.5	-162.2	-2.6	123.9
67	P	51.3	Low	37	Very low	114 Å²	114	129.5 Å²	129.5	74%	0.74	81%	0.808	S	S	*	*			trans	-107.8	178.4	-173.4	43.4	-36	0	0	0	114.8
68	L	33.3	Very low	36.8	Very low	176 Å²	176	135.6 Å²	135.6	92%	0.921	82%	0.817	S	S	*	*			trans	-141.7	153.8	163.3	-79.3	175	0	0	0	111.4
69	D	33.6	Very low	36.4	Very low	159 Å²	159	134.4 Å²	134.4	85%	0.85	81%	0.814	S	S	*	*			trans	-87.3	165.2	-179.5	-79.1	-61.4	0	0	0	113.9
70	P	57.1	Low	36.7	Very low	115 Å²	115	135.3 Å²	135.3	75%	0.747	81%	0.814	S	S	*	*			trans	-102.3	157.6	-166.3	38.5	-35.6	0	0	0	115.9
71	P	48.6	Very low	36.8	Very low	129 Å²	129	139.4 Å²	139.4	84%	0.838	81%	0.81	S	S	*	*			trans	-105.9	165.5	151.7	36.8	-28.3	0	0	0	111.8
72	G	32.7	Very low	37.1	Very low	62 Å²	62	145.9 Å²	145.9	64%	0.639	81%	0.811	S	S	*	*			trans	-117.7	-167.1	-177.6	0	0	0	0	0	115.4
73	T	32.8	Very low	36	Very low	145 Å²	145	145.2 Å²	145.2	89%	0.89	81%	0.809	S	S	*	*			trans	66.3	144.2	169.1	50.2	0	0	0	0	117.9
74	S	32.4	Very low	35.7	Very low	93 Å²	93	145.3 Å²	145.3	65%	0.65	81%	0.81	S	S	*	*			cis	-170.9	-176.6	-6.6	54.6	0	0	0	0	113.3
75	L	33.5	Very low	35.5	Very low	154 Å²	154	143.2 Å²	143.2	81%	0.806	81%	0.811	S	S	*	*			trans	77.6	106.4	149.6	-73.6	168.2	0	0	0	122.4
76	R	30.9	Very low	35.3	Very low	250 Å²	250	142.3 Å²	142.3	94%	0.943	81%	0.81	S	S	*	*				177.9	145.9	111.4	-89.9	163.4	-171.2	-133.6	1.5	107.2
77	G	31.7	Very low	35	Very low	72 Å²	72	142.7 Å²	142.7	74%	0.742	81%	0.811	S	S	*	*			cis	107.1	129.9	28.1	0	0	0	0	0	108.1
78	R	34.4	Very low	34.3	Very low	257 Å²	257	143.2 Å²	143.2	97%	0.97	82%	0.816	S	S	*	*			cis	-141.5	-176.1	16.9	-63.4	175.9	170.7	-178	-4.3	109
79	G	29.5	Very low	34.9	Very low	76 Å²	76	140.9 Å²	140.9	78%	0.784	81%	0.812	S	S	*	*			cis	-162.6	-158.5	10.4	0	0	0	0	0	112.9
80	A	36.1	Very low	34.7	Very low	96 Å²	96	137.1 Å²	137.1	79%	0.793	81%	0.811	S	S	*	*			trans	-137.4	171.4	-163	0	0	0	0	0	113.6
81	H	32	Very low	33.5	Very low	169 Å²	169	136.2 Å²	136.2	78%	0.782	81%	0.813	S	S	*	*			trans	-160.8	167.3	133.8	-121.4	-107.2	0	0	0	113.8
82	R	35.7	Very low	32.6	Very low	215 Å²	215	139.7 Å²	139.7	81%	0.811	82%	0.816	S	S	*	*			trans	-52.6	169.7	-174.8	-54.9	169.7	-178.6	177.8	-3.2	115
83	S	31.7	Very low	32.7	Very low	124 Å²	124	145 Å²	145	87%	0.867	82%	0.823	S	S	*	*			cis	-161.8	177.7	9.6	13.9	0	0	0	0	107.3
84	G	29.1	Very low	32.7	Very low	64 Å²	64	143.7 Å²	143.7	66%	0.66	82%	0.821	S	S	*	*			cis	162.6	169.4	5.4	0	0	0	0	0	108.3
85	E	32.5	Very low	32.6	Very low	206 Å²	206	143.1 Å²	143.1	96%	0.963	83%	0.829	S	S	*	*			trans	65	148.3	178	-55.2	171.8	-175.4	0	0	116.6
86	G	28.3	Very low	32.6	Very low	66 Å²	66	140.6 Å²	140.6	68%	0.68	83%	0.831	S	S	*	*			cis	137.2	78.2	-30.4	0	0	0	0	0	117.8
87	W	28.6	Very low	32.5	Very low	254 Å²	254	141 Å²	141	96%	0.962	83%	0.832	S	S	*	*			trans	-170	131	146.1	-99	-12.4	0	0	0	115.8
88	C	35	Very low	32.7	Very low	125 Å²	125	142.5 Å²	142.5	85%	0.845	84%	0.838	S	S	*	*			trans	-131.2	143.6	138	-71.1	0	0	0	0	104.6
89	P	47.6	Very low	32.6	Very low	127 Å²	127	135.2 Å²	135.2	83%	0.825	83%	0.833	S	S	*	*				-153.1	-173.1	84.9	41.1	-22.6	0	0	0	114.1
90	G	29.1	Very low	32.8	Very low	81 Å²	81	143.3 Å²	143.3	84%	0.835	84%	0.84	S	S	*	*			trans	148.7	101	161.1	0	0	0	0	0	114.4
91	A	32.3	Very low	33.3	Very low	96 Å²	96	144 Å²	144	79%	0.793	84%	0.836	S	S	*	*			trans	-120.7	148.5	165	0	0	0	0	0	108.9
92	F	29.1	Very low	34.1	Very low	202 Å²	202	141.4 Å²	141.4	89%	0.886	83%	0.834	S	S	*	*			trans	-151.7	154.9	160.2	-130	-85.9	0	0	0	111.5
93	E	34.5	Very low	33.9	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.804	84%	0.835	S	S	*	*			trans	-83.1	177.3	-179.5	-48.1	172.4	120.9	0	0	109.8
94	S	33.5	Very low	34.1	Very low	119 Å²	119	142.5 Å²	142.5	83%	0.832	84%	0.837	S	S	*	*			cis	-165.1	173.4	21.7	55.3	0	0	0	0	110.1
95	G	29.7	Very low	34.2	Very low	81 Å²	81	146 Å²	146	84%	0.835	85%	0.846	S	S	*	*			trans	156.6	106.8	168.2	0	0	0	0	0	113.8
96	A	32.6	Very low	34.2	Very low	101 Å²	101	144.7 Å²	144.7	84%	0.835	84%	0.84	S	S	*	*			trans	-114.6	145.5	-170.9	0	0	0	0	0	114
97	R	30.4	Very low	35.2	Very low	257 Å²	257	147.5 Å²	147.5	97%	0.97	85%	0.846	S	S	*	*			trans	-161.6	145.7	136.8	-111	170.8	-170.8	-140.5	-0.4	111.1
98	A	34.2	Very low	35.2	Very low	104 Å²	104	138.9 Å²	138.9	86%	0.86	84%	0.836	S	S	*	*			trans	-135.8	153.1	-179.9	0	0	0	0	0	110.6
99	A	32.8	Very low	35.1	Very low	105 Å²	105	141.4 Å²	141.4	87%	0.868	84%	0.84	S	S	*	*			trans	-143.6	147.9	166.4	0	0	0	0	0	109
100	R	34.5	Very low	34.2	Very low	245 Å²	245	140.1 Å²	140.1	93%	0.925	84%	0.84	S	S	*	*			trans	-122.8	160.3	-178.7	-95.3	-173.3	174	-172.5	-0.4	111.1
101	P	46	Very low	34.3	Very low	112 Å²	112	142.6 Å²	142.6	73%	0.727	84%	0.84	S	S	*	*			trans	-93.1	158.6	-173.7	37.1	-36.3	0	0	0	114.1
102	P	49.6	Very low	35	Very low	114 Å²	114	143.5 Å²	143.5	74%	0.74	84%	0.837	S	S	*	*			trans	-82	133.7	150.8	33.4	-28.6	0	0	0	109.4
103	S	31.7	Very low	35.2	Very low	118 Å²	118	138.2 Å²	138.2	83%	0.825	83%	0.831	S	S	*	*			cis	90	125.6	45.9	76.4	0	0	0	0	113.7
104	R	34.5	Very low	35	Very low	243 Å²	243	135 Å²	135	92%	0.917	83%	0.827	S	S	*	*			trans	-107.3	150.9	-174.5	174.2	-169.2	-170.8	-174.7	5.1	109.5
105	V	31.3	Very low	35	Very low	139 Å²	139	138.9 Å²	138.9	84%	0.842	82%	0.824	S	S	*	*			trans	170.6	145.6	146.7	146	0	0	0	0	111.6
106	E	32.7	Very low	35.1	Very low	177 Å²	177	142.6 Å²	142.6	83%	0.827	82%	0.819	S	S	*	*			trans	-100.1	-163.7	172.5	-62.4	-170.8	157.3	0	0	109.7
107	P	50	Low	35.1	Very low	125 Å²	125	141 Å²	141	81%	0.812	81%	0.813	S	S	*	*			cis	-137.9	-169.1	-4.1	43.9	-25	0	0	0	114.8
108	G	28.1	Very low	35.2	Very low	73 Å²	73	134.4 Å²	134.4	75%	0.753	81%	0.813	S	S	*	*			trans	168.3	138.3	162	0	0	0	0	0	115.2
109	L	32.1	Very low	35	Very low	179 Å²	179	132.8 Å²	132.8	94%	0.937	81%	0.807	S	S	*	*			trans	-107.5	147.2	170.2	-67	84.8	0	0	0	110.4
110	A	29.1	Very low	36.1	Very low	100 Å²	100	133.5 Å²	133.5	83%	0.826	80%	0.803	S	S	*	*				174.7	146.6	129.8	0	0	0	0	0	113.8
111	T	32	Very low	36.8	Very low	133 Å²	133	127.4 Å²	127.4	82%	0.816	80%	0.795	S	S	*	*			trans	-88.3	175.5	159.5	43	0	0	0	0	109.5
112	P	46.9	Very low	36.3	Very low	114 Å²	114	133.7 Å²	133.7	74%	0.74	80%	0.804	S	S	*	*			cis	-150.8	-170	27.2	45.1	-23.6	0	0	0	118.7
113	A	32	Very low	35.6	Very low	92 Å²	92	132.1 Å²	132.1	76%	0.76	80%	0.8	S	S	*	*			trans	71.7	151.9	152	0	0	0	0	0	119.4
114	S	31.7	Very low	35.5	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	80%	0.802	S	S	*	*			cis	-168.6	-172.6	-18.3	56.1	0	0	0	0	110.7
115	R	32.3	Very low	35.4	Very low	202 Å²	202	130.4 Å²	130.4	76%	0.762	80%	0.799	S	S	*	*			trans	77.9	150	176.7	-42.8	-173.3	94.3	149.6	6.3	115.1
116	E	33.5	Very low	35.3	Very low	158 Å²	158	128.3 Å²	128.3	74%	0.738	80%	0.796	S	S	*	*			cis	-167.9	152.6	-22.4	-106.3	142.9	-140.3	0	0	105.3
117	G	30.8	Very low	35.2	Very low	69 Å²	69	125 Å²	125	71%	0.711	80%	0.799	S	S	*	*			cis	177.3	-156.4	0.3	0	0	0	0	0	110.8
118	A	32.8	Very low	34.2	Very low	118 Å²	118	122 Å²	122	98%	0.975	79%	0.791	S	S	*	*			trans	75	151.5	167.8	0	0	0	0	0	121.9
119	G	30.6	Very low	34.3	Very low	70 Å²	70	125.1 Å²	125.1	72%	0.722	80%	0.801	S	S	*	*			trans	173	-161.7	176.9	0	0	0	0	0	107.5
120	P	55.8	Low	34.1	Very low	120 Å²	120	119.8 Å²	119.8	78%	0.779	79%	0.79	S	S	*	*			cis	-120.9	-168.4	-34.5	41.9	-26.6	0	0	0	111.7
121	P	50.1	Low	34.1	Very low	116 Å²	116	127.2 Å²	127.2	75%	0.753	80%	0.797	S	S	*	*				-133.4	150.7	111.7	10.2	12.4	0	0	0	112.5
122	R	35.2	Very low	33.9	Very low	245 Å²	245	126.3 Å²	126.3	93%	0.925	80%	0.796	S	S	*	*				53.4	140.2	75.7	-78	-168.4	172.5	-164.1	-1.3	115.2
123	A	34.2	Very low	33.1	Very low	80 Å²	80	125.1 Å²	125.1	66%	0.661	80%	0.795	S	S	*	*			cis	-163.5	160.8	-19.1	0	0	0	0	0	106.8
124	E	29.4	Very low	33	Very low	185 Å²	185	132.1 Å²	132.1	86%	0.864	80%	0.802	S	S	*	*				168.3	-163.4	81	-75.6	-153.5	141.5	0	0	108.8
125	V	33	Very low	32.8	Very low	141 Å²	141	133.5 Å²	133.5	86%	0.855	81%	0.811	S	S	*	*				-163.6	93.8	-95.4	148.6	0	0	0	0	111.2
126	A	29.2	Very low	32.5	Very low	95 Å²	95	127.6 Å²	127.6	79%	0.785	81%	0.813	S	S	*	*			trans	-159	131.2	167.3	0	0	0	0	0	109.5
127	A	31.3	Very low	32.4	Very low	106 Å²	106	128.8 Å²	128.8	88%	0.876	82%	0.819	S	S	*	*			cis	71.8	120.9	43.8	0	0	0	0	0	113.5
128	G	28.5	Very low	32.4	Very low	64 Å²	64	138 Å²	138	66%	0.66	83%	0.832	S	S	*	*			cis	171.4	174	-6.3	0	0	0	0	0	113.2
129	S	30.6	Very low	31.9	Very low	137 Å²	137	135.2 Å²	135.2	96%	0.958	82%	0.816	S	S	*	*			trans	66	150.6	178.8	78	0	0	0	0	117
130	G	27.7	Very low	31.8	Very low	68 Å²	68	140.2 Å²	140.2	70%	0.701	83%	0.825	S	S	*	*			cis	176	169.8	-8.6	0	0	0	0	0	113.1
131	R	29.4	Very low	30.3	Very low	256 Å²	256	139.1 Å²	139.1	97%	0.966	83%	0.826	S	S	*	*			trans	24.1	147.4	150.3	-64.7	-177.8	-176.5	-156.5	1.5	120.7
132	S	27.3	Very low	29.2	Very low	114 Å²	114	138 Å²	138	80%	0.797	83%	0.827	S	S	*	*			cis	-178.9	-179.5	-7.9	-172.8	0	0	0	0	108.8
133	A	29.5	Very low	28.8	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	83%	0.825	S	S	*	*			trans	68	140.7	176.2	0	0	0	0	0	116.2
134	R	29.8	Very low	28.3	Very low	240 Å²	240	131 Å²	131	91%	0.906	83%	0.828	S	S	*	*			cis	93.9	142.2	24.4	-79.9	-162.5	169.1	-152	-0.5	116.5
135	S	27.7	Very low	28	Very low	131 Å²	131	126.6 Å²	126.6	92%	0.916	82%	0.823	S	S	*	*			trans	74.1	141.7	165.8	69.3	0	0	0	0	118
136	G	26.8	Very low	27.6	Very low	78 Å²	78	131.3 Å²	131.3	80%	0.804	83%	0.826	S	S	*	*			trans	149.6	55.2	-179	0	0	0	0	0	114.9
137	E	31.8	Very low	27.5	Very low	183 Å²	183	135.8 Å²	135.8	86%	0.855	83%	0.83	S	S	*	*			trans	-75.9	127.3	163.8	-68.8	174.4	96	0	0	110.2
138	W	29	Very low	27.3	Very low	262 Å²	262	135.4 Å²	135.4	99%	0.992	82%	0.818	S	S	*	*			trans	-170.6	153.3	146.2	-69	111.9	0	0	0	106.3
139	G	23.6	Very low	27.2	Very low	61 Å²	61	141.3 Å²	141.3	63%	0.629	83%	0.83	S	S	*	*			cis	150.1	109.2	-3.6	0	0	0	0	0	111.9
140	L	27.6	Very low	27.1	Very low	175 Å²	175	143 Å²	143	92%	0.916	82%	0.822	S	S	*	*			trans	71.1	120.5	159	-60.9	168.3	0	0	0	121.9
141	A	25.5	Very low	27.1	Very low	96 Å²	96	148.9 Å²	148.9	79%	0.793	83%	0.831	S	S	*	*				80.8	167.5	126.1	0	0	0	0	0	122.2
142	A	26.6	Very low	26.9	Very low	94 Å²	94	141.7 Å²	141.7	78%	0.777	82%	0.819	S	S	*	*			trans	63.3	118.1	-169.8	0	0	0	0	0	114.3
143	A	25.9	Very low	26.8	Very low	107 Å²	107	145.7 Å²	145.7	88%	0.884	82%	0.822	S	S	*	*			cis	68.8	106.4	24.5	0	0	0	0	0	114.9
144	G	24	Very low	26.7	Very low	70 Å²	70	153.2 Å²	153.2	72%	0.722	83%	0.832	S	S	*	*			trans	163	135.7	174	0	0	0	0	0	114.2
145	A	23.9	Very low	26.5	Very low	93 Å²	93	152.7 Å²	152.7	77%	0.769	83%	0.832	S	S	*	*			trans	-32.6	143.7	-179.7	0	0	0	0	0	119.5
146	W	24.5	Very low	26.4	Very low	239 Å²	239	158.3 Å²	158.3	91%	0.905	83%	0.833	S	S	*	*			trans	-130.2	97	151.2	-74.3	99.1	0	0	0	110.3
147	E	27.7	Very low	26.5	Very low	189 Å²	189	159.7 Å²	159.7	88%	0.883	83%	0.83	S	S	*	*			trans	-111.9	97.3	169.2	-178.2	-178.8	-129.8	0	0	108.5
148	T	27.1	Very low	26.5	Very low	99 Å²	99	157 Å²	157	61%	0.607	83%	0.828	S	S	*	*			trans	-145.4	120.4	171.4	35	0	0	0	0	111.6
149	M	25.8	Very low	26.7	Very low	188 Å²	188	153.6 Å²	153.6	93%	0.926	82%	0.824	S	S	*	*			trans	-72.9	137	163.6	-64.1	-177.2	-177	0	0	109.9
150	H	27.8	Very low	27.2	Very low	171 Å²	171	156.5 Å²	156.5	79%	0.792	83%	0.831	S	S	*	*			trans	-131	108.8	164.2	-88.3	-80.6	0	0	0	112.3
151	H	29.1	Very low	27.3	Very low	192 Å²	192	155 Å²	155	89%	0.889	82%	0.824	S	S	*	*			trans	-82.5	117.1	162.1	-89.9	-59.2	0	0	0	110.4
152	C	23.9	Very low	27.6	Very low	106 Å²	106	155.6 Å²	155.6	72%	0.716	82%	0.82	S	S	*	*			trans	-145.1	114.6	153.2	-103.5	0	0	0	0	107.8
153	K	24.8	Very low	27.8	Very low	198 Å²	198	161.2 Å²	161.2	86%	0.861	82%	0.822	S	S	*	*				85.9	131.1	87.1	-81.7	-174.5	-176.3	173.9	0	112.1
154	R	27.6	Very low	28	Very low	245 Å²	245	164.7 Å²	164.7	93%	0.925	83%	0.825	S	S	*	*			trans	-61.8	135.2	-177.5	-66.2	171.9	173.5	159	-4.4	111.2
155	Y	25.3	Very low	28.2	Very low	230 Å²	230	166.1 Å²	166.1	90%	0.902	82%	0.824	S	S	*	*			trans	-110.6	156.4	146.1	-102.5	-96.6	0	0	0	109.8
156	R	26.5	Very low	28.4	Very low	248 Å²	248	172.3 Å²	172.3	94%	0.936	83%	0.829	S	S	*	*			trans	-110	123.7	179.7	-148.6	-179.2	-171	-177.7	0.7	106.6
157	S	28.6	Very low	28.6	Very low	107 Å²	107	171.6 Å²	171.6	75%	0.748	83%	0.826	S	S	*	*			trans	-107	159.5	174.9	-59.9	0	0	0	0	110.6
158	P	31.3	Very low	28.6	Very low	126 Å²	126	174.2 Å²	174.2	82%	0.818	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-71.1	165.7	-175.2	-17.1	32.5	0	0	0	114
159	E	32.9	Very low	28.7	Very low	192 Å²	192	179.1 Å²	179.1	90%	0.897	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-76.9	141	175	-61.8	-171.1	147.5	0	0	112.3
160	P	34.5	Very low	28.9	Very low	121 Å²	121	180.6 Å²	180.6	79%	0.786	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-88.6	151.2	165	-8.4	27.1	0	0	0	113.4
161	D	30.8	Very low	28.8	Very low	145 Å²	145	184.3 Å²	184.3	78%	0.775	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-57.3	129.2	179.4	-164.1	-13.5	0	0	0	113.5	Y163	D161-Y163 VanDerWaalsContact C-N 3.34Å; D161-Y163 PolarHBondContact O-N 3.42Å
162	P	31	Very low	28.8	Very low	107 Å²	107	185.4 Å²	185.4	70%	0.695	84%	0.84	S	S	*	*	S	Bend	trans	-83.4	53.7	-164.7	34.1	-40	0	0	0	116.1
163	Y	30.1	Very low	29	Very low	212 Å²	212	185.9 Å²	185.9	83%	0.831	84%	0.844	S	S	*	*			trans	-132.6	68.9	173.7	-102.3	-84.1	0	0	0	113.9	D161	D161-Y163 VanDerWaalsContact C-N 3.34Å; D161-Y163 PolarHBondContact O-N 3.42Å
164	L	31.4	Very low	29	Very low	181 Å²	181	187.2 Å²	187.2	95%	0.948	85%	0.846	S	S	*	*			trans	179.3	63.7	156.4	-101.6	162.9	0	0	0	112.3
165	S	27.5	Very low	28.9	Very low	100 Å²	100	180.7 Å²	180.7	70%	0.699	84%	0.838	S	S	*	*			trans	-136.5	27.8	-169.2	61.5	0	0	0	0	117.9
166	Y	29	Very low	29	Very low	222 Å²	222	180.8 Å²	180.8	87%	0.871	84%	0.836	S	S	*	*			trans	-127.6	141.7	161.2	-73.6	-95.2	0	0	0	107.9
167	R	28.9	Very low	29.1	Very low	225 Å²	225	176.1 Å²	176.1	85%	0.849	83%	0.825	S	S	*	*			cis	-162.7	92.1	36	-172.6	-170.3	-164.8	176.8	4.1	113.4
168	W	27.5	Very low	29	Very low	244 Å²	244	178.8 Å²	178.8	92%	0.924	83%	0.826	S	S	*	*			trans	-122	95	168.7	-71.4	106.4	0	0	0	112.2
169	K	28.3	Very low	28.9	Very low	201 Å²	201	181.1 Å²	181.1	87%	0.874	83%	0.826	S	S	*	*			trans	-129.4	89.5	170.2	-81.4	-171.8	175.6	176.2	0	111.8	R171	K169-R171 PolarHBondContact O-N 2.67Å; K169-R171 VanDerWaalsContact O-N 3.13Å
170	R	29.7	Very low	28.7	Very low	220 Å²	220	175.8 Å²	175.8	83%	0.83	82%	0.822	S	S	*	*			trans	-62.5	102.3	172.4	-174.6	-174.3	-66.5	179.2	-2.1	109.9	R172	R170-R172 PolarHBondContact O-N 2.84Å
171	R	26.8	Very low	28.4	Very low	249 Å²	249	181.7 Å²	181.7	94%	0.94	83%	0.828	S	S	*	*			trans	-65.7	116.7	173.2	-80.7	-171	172.5	-159.9	-0.9	109.9	K169	K169-R171 PolarHBondContact O-N 2.67Å; K169-R171 VanDerWaalsContact O-N 3.13Å
172	R	28.9	Very low	28.3	Very low	214 Å²	214	181.9 Å²	181.9	81%	0.808	83%	0.829	S	S	*	*			trans	-110.5	129.2	159.5	-85.1	-175.7	168	174.1	-4.5	108.5	R170	R170-R172 PolarHBondContact O-N 2.84Å
173	S	27	Very low	28.3	Very low	117 Å²	117	188 Å²	188	82%	0.818	84%	0.838	S	S	*	*			trans	-77.8	139.3	174.2	-49.9	0	0	0	0	110.2
174	Y	25.1	Very low	28.2	Very low	226 Å²	226	188 Å²	188	89%	0.886	84%	0.838	S	S	*	*			trans	-145.3	146.7	161.7	-112.6	-85.3	0	0	0	109.1
175	S	25.5	Very low	28.5	Very low	108 Å²	108	185.3 Å²	185.3	76%	0.755	83%	0.831	S	S	*	*			trans	-128	131.6	176.2	-59.8	0	0	0	0	109.4
176	R	28.2	Very low	28.7	Very low	231 Å²	231	184.8 Å²	184.8	87%	0.872	83%	0.828	S	S	*	*				-176.9	165.2	127.2	-101.5	-171.7	164	152.9	0.6	112.4
177	E	27.2	Very low	28.8	Very low	150 Å²	150	186.3 Å²	186.3	70%	0.701	83%	0.832	S	S	*	*			trans	-61.4	159.8	178.2	-54	96.7	157	0	0	111.7
178	H	27.7	Very low	29	Very low	164 Å²	164	186.5 Å²	186.5	76%	0.759	83%	0.832	S	S	*	*				-157.2	177.7	58	-125.9	-100.8	0	0	0	115.2
179	E	29.1	Very low	29.1	Very low	175 Å²	175	183.4 Å²	183.4	82%	0.818	83%	0.828	S	S	*	*			trans	-32.1	150.8	-174.6	-65.6	160.8	115.1	0	0	121.8
180	G	27.8	Very low	30.1	Very low	79 Å²	79	178.7 Å²	178.7	81%	0.814	82%	0.818	S	S	*	*			trans	-171.8	97.1	163.2	0	0	0	0	0	113.3
181	R	28.5	Very low	31	Very low	246 Å²	246	173.6 Å²	173.6	93%	0.928	81%	0.813	S	S	*	*			trans	-74.6	144.1	173.3	-97.5	-177.5	169.3	-169.2	-0.7	111.1
182	L	29.9	Very low	32	Very low	149 Å²	149	167.6 Å²	167.6	78%	0.78	81%	0.807	S	S	*	*				-179.8	121.6	123.2	-96.9	167.7	0	0	0	115.2
183	R	29.8	Very low	32.2	Very low	236 Å²	236	167.8 Å²	167.8	89%	0.891	81%	0.808	S	S	*	*			trans	50.6	139.5	145.8	-68.4	177.6	-172.9	-165.8	1	124.4
184	Y	28	Very low	32.4	Very low	211 Å²	211	172.1 Å²	172.1	83%	0.827	81%	0.806	S	S	*	*			trans	-75.2	161.2	168.5	-101.6	-92.5	0	0	0	112.9
185	P	38.3	Very low	32.6	Very low	124 Å²	124	167.2 Å²	167.2	81%	0.805	81%	0.805	S	S	*	*				-131	152.6	74.8	38	-26.2	0	0	0	114.1
186	S	31.3	Very low	32.8	Very low	90 Å²	90	172.9 Å²	172.9	63%	0.629	81%	0.81	S	S	*	*			cis	99.3	102	23.5	-168.2	0	0	0	0	114.6
187	R	30.7	Very low	32.9	Very low	253 Å²	253	168 Å²	168	96%	0.955	81%	0.811	S	S	*	*			trans	-142.3	152.8	150.7	-98.6	-169.3	174.6	-156.2	-2.3	109.4
188	R	32.7	Very low	33.1	Very low	229 Å²	229	170.9 Å²	170.9	86%	0.864	82%	0.815	S	S	*	*			trans	-111.3	164.5	-179.4	-65.9	173.7	170.7	169.2	-4.3	110.3
189	E	31.5	Very low	33.2	Very low	179 Å²	179	169 Å²	169	84%	0.836	82%	0.821	S	S	*	*				-159.5	164.2	122.2	-94.8	-54.2	90.4	0	0	108.9
190	P	47.7	Very low	33.3	Very low	102 Å²	102	167.5 Å²	167.5	66%	0.662	81%	0.814	S	S	*	*			trans	-108.7	172	-155.6	40.8	-37.9	0	0	0	117.3
191	P	48.8	Very low	33.4	Very low	113 Å²	113	171.6 Å²	171.6	73%	0.734	82%	0.817	S	S	*	*			trans	-109.5	164.5	-178.1	40.8	-34.3	0	0	0	115
192	P	47.4	Very low	33.5	Very low	124 Å²	124	170 Å²	170	81%	0.805	81%	0.811	S	S	*	*			trans	-80.4	151.5	166.6	33.1	-33.6	0	0	0	113.3
193	R	34.8	Very low	33.5	Very low	218 Å²	218	170.6 Å²	170.6	82%	0.823	81%	0.814	S	S	*	*			trans	-103.7	176.4	161.3	-57.1	176.2	166.6	-178.5	-4.3	107.1
194	R	31.3	Very low	34.3	Very low	207 Å²	207	165 Å²	165	78%	0.781	81%	0.808	S	S	*	*			cis	-168.2	152.7	12.2	-148.9	176	-161.1	174.6	2.1	107.4
195	S	29.3	Very low	34.2	Very low	123 Å²	123	164.5 Å²	164.5	86%	0.86	81%	0.806	S	S	*	*			trans	-165.4	151.3	143	-91.8	0	0	0	0	111.2
196	R	29.5	Very low	33.8	Very low	227 Å²	227	164.3 Å²	164.3	86%	0.857	80%	0.795	S	S	*	*			trans	-145.5	133.4	174.9	-83.7	-179.1	170.4	171.1	-4.9	108
197	S	30.3	Very low	33.6	Very low	129 Å²	129	168.9 Å²	168.9	90%	0.902	80%	0.798	S	S	*	*			trans	-119.6	146.5	155.7	-64.6	0	0	0	0	108.6
198	R	30.3	Very low	33.4	Very low	210 Å²	210	165.7 Å²	165.7	79%	0.792	79%	0.786	S	S	*	*			trans	-120	144.4	176.9	-81.2	173	159.5	169.7	-9.9	108.6
199	S	30.7	Very low	33.1	Very low	126 Å²	126	164 Å²	164	88%	0.881	78%	0.781	S	S	*	*			trans	-132.5	156.5	143.1	47.6	0	0	0	0	108
200	H	30.1	Very low	33	Very low	143 Å²	143	165.7 Å²	165.7	66%	0.662	78%	0.78	S	S	*	*			trans	-127.6	150.7	-176.8	-102.9	-75.6	0	0	0	108.1
201	D	31	Very low	32.1	Very low	164 Å²	164	169 Å²	169	88%	0.877	79%	0.786	S	S	*	*			trans	-151	171.8	140.1	-105.8	-42.7	0	0	0	112
202	R	29.6	Very low	31	Very low	214 Å²	214	174.4 Å²	174.4	81%	0.808	79%	0.792	S	S	*	*			trans	-120.9	136.1	-166.5	-76.4	174.6	170.1	-179.5	-3.1	110.7
203	L	29.7	Very low	30.1	Very low	160 Å²	160	179.4 Å²	179.4	84%	0.838	80%	0.795	S	S	*	*				54.3	143.5	88.5	-58.8	179	0	0	0	114.4
204	P	47.1	Very low	29.7	Very low	118 Å²	118	176 Å²	176	77%	0.766	79%	0.793	S	S	*	*			cis	-124.6	-164.9	28.3	39.1	-19.7	0	0	0	113.3
205	Y	25.9	Very low	29.6	Very low	201 Å²	201	171.4 Å²	171.4	79%	0.788	79%	0.792	S	S	*	*			cis	-150.6	-168.1	25.5	-170.6	-104.2	0	0	0	113.8
206	Q	29.7	Very low	29.6	Very low	121 Å²	121	172 Å²	172	57%	0.565	79%	0.786	S	S	*	*			trans	-99.5	-179.4	-162.8	-42.2	179.3	2.3	0	0	113.5
207	R	28.5	Very low	29.5	Very low	186 Å²	186	166.7 Å²	166.7	70%	0.702	78%	0.779	S	S	*	*			cis	-168.8	154.3	10.2	-145.7	-180	-173.3	177.6	5.2	112.4
208	R	25.6	Very low	29.5	Very low	186 Å²	186	171.7 Å²	171.7	70%	0.702	78%	0.78	S	S	*	*			trans	66.7	148.6	164.8	-55.7	-173.6	177.8	162.2	-1.1	115.5
209	Y	27.3	Very low	29.3	Very low	192 Å²	192	171.2 Å²	171.2	75%	0.753	78%	0.778	S	S	*	*			cis	-136.5	-154.8	40.3	-120.2	-92.6	0	0	0	115.9
210	R	28	Very low	29	Very low	216 Å²	216	170.4 Å²	170.4	82%	0.815	77%	0.771	S	S	*	*			trans	-78.7	164.4	-158.3	-80.3	177.5	172.2	142.5	-5	116.7
211	E	28.2	Very low	28.8	Very low	170 Å²	170	170 Å²	170	79%	0.794	77%	0.77	S	S	*	*			trans	-46.3	146.9	158.9	-38.8	161.6	118.6	0	0	113.1
212	R	25.8	Very low	28.8	Very low	227 Å²	227	171 Å²	171	86%	0.857	77%	0.769	S	S	*	*				-165.9	176.5	95.3	-108.6	-173.7	-179.9	-140.4	-1.7	113.7
213	R	28.8	Very low	28.7	Very low	230 Å²	230	172.3 Å²	172.3	87%	0.868	77%	0.774	S	S	*	*			trans	-118	115.6	-174.5	168.1	-150.1	-158.6	176.9	8.7	106.6
214	D	28	Very low	28.7	Very low	146 Å²	146	170.2 Å²	170.2	78%	0.781	77%	0.773	S	S	*	*			trans	-130.1	152.4	177.1	-73.5	-58.8	0	0	0	111.9
215	S	27.5	Very low	28.4	Very low	110 Å²	110	170.8 Å²	170.8	77%	0.769	78%	0.777	S	S	*	*			trans	-128.1	126.6	174.7	-59.9	0	0	0	0	107.2
216	D	29.5	Very low	28.6	Very low	135 Å²	135	166.1 Å²	166.1	72%	0.722	77%	0.773	S	S	*	*			trans	-144.7	137.5	161	-93.1	-41.2	0	0	0	109.7
217	T	28.2	Very low	28.7	Very low	117 Å²	117	170.1 Å²	170.1	72%	0.718	79%	0.789	S	S	*	*				71.5	82.4	56.8	-40.5	0	0	0	0	112.2
218	Y	29.6	Very low	28.7	Very low	234 Å²	234	164.4 Å²	164.4	92%	0.918	79%	0.788	S	S	*	*			trans	-97.3	112.5	169.2	-86.9	-86.7	0	0	0	111.6
219	R	25.6	Very low	29	Very low	199 Å²	199	163.6 Å²	163.6	75%	0.751	79%	0.792	S	S	*	*			trans	-101.9	130.8	167.9	168.9	-179.2	175.3	159	-4.7	107.1	E221	R219-E221 IonicContact CZ-OE1 2.84Å; R219-E221 IonicContact NE-OE1 3.72Å; R219-E221 PolarHBondContact NE-OE1 3.06Å; R219-E221 IonicContact NH2-OE1 2.71Å; R219-E221 PolarHBondContact NH2-OE1 3.2Å
220	C	26	Very low	29.1	Very low	109 Å²	109	161.2 Å²	161.2	74%	0.736	79%	0.793	S	S	*	*			trans	-107.9	125.9	174.7	-160.5	0	0	0	0	110.2
221	E	26.1	Very low	29.2	Very low	136 Å²	136	159.8 Å²	159.8	64%	0.636	79%	0.789	S	S	*	*			trans	-122	117.4	166.5	-71.1	174.8	-172.5	0	0	106.4	R219	R219-E221 IonicContact CZ-OE1 2.84Å; R219-E221 IonicContact NE-OE1 3.72Å; R219-E221 PolarHBondContact NE-OE1 3.06Å; R219-E221 IonicContact NH2-OE1 2.71Å; R219-E221 PolarHBondContact NH2-OE1 3.2Å
222	E	29.7	Very low	29.3	Very low	185 Å²	185	162.3 Å²	162.3	86%	0.864	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-89	134.3	175.2	-70.7	-168.6	145.4	0	0	110.6
223	R	27.5	Very low	29.4	Very low	240 Å²	240	155.4 Å²	155.4	91%	0.906	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-93.9	137.9	179.7	-69.8	177.7	170.4	-174.6	-4.1	110.7
224	S	30	Very low	29.4	Very low	117 Å²	117	149.9 Å²	149.9	82%	0.818	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67	140.9	161.7	-49	0	0	0	0	110.8
225	P	40.1	Very low	29.5	Very low	130 Å²	130	148.4 Å²	148.4	84%	0.844	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-83	151.8	169.8	33.9	-33.8	0	0	0	111.6
226	S	31.3	Very low	29.6	Very low	103 Å²	103	154.4 Å²	154.4	72%	0.72	80%	0.795	S	S	*	*			trans	-152.2	128	175.3	60.7	0	0	0	0	111.1
227	F	32	Very low	29.7	Very low	204 Å²	204	152.6 Å²	152.6	90%	0.895	79%	0.793	S	S	*	*			trans	-179.7	152.7	150.2	-97.7	-69.9	0	0	0	107
228	G	27.4	Very low	29.8	Very low	66 Å²	66	157.6 Å²	157.6	68%	0.68	80%	0.799	S	S	*	*			cis	-146	-152.3	5.1	0	0	0	0	0	114.7
229	E	32.9	Very low	29.9	Very low	170 Å²	170	155.2 Å²	155.2	79%	0.794	80%	0.795	S	S	*	*			trans	-96.4	159.6	-159.7	-58.8	166.9	106.1	0	0	113.6
230	D	28.8	Very low	30.1	Very low	142 Å²	142	157.5 Å²	157.5	76%	0.759	80%	0.804	S	S	*	*				-176.3	141.9	110.7	-105.2	-29.5	0	0	0	117
231	Y	30	Very low	30.4	Very low	186 Å²	186	163.5 Å²	163.5	73%	0.729	81%	0.811	S	S	*	*			trans	54.6	141.5	150.8	-89.7	-80.1	0	0	0	127.5
232	Y	30.4	Very low	30.5	Very low	223 Å²	223	169.1 Å²	169.1	88%	0.875	83%	0.827	S	S	*	*			trans	62.6	129.1	157.4	-81.4	-65.9	0	0	0	122
233	G	27	Very low	30.6	Very low	82 Å²	82	165.4 Å²	165.4	85%	0.845	82%	0.821	S	S	*	*			trans	155.2	92.8	162.2	0	0	0	0	0	115.4
234	S	29.9	Very low	30.9	Very low	114 Å²	114	164.7 Å²	164.7	80%	0.797	82%	0.818	S	S	*	*			trans	-101	133.9	-177.9	178.9	0	0	0	0	113.7
235	S	30.5	Very low	30.9	Very low	114 Å²	114	166 Å²	166	80%	0.797	81%	0.812	S	S	*	*			trans	-170.1	119	139.7	-89.3	0	0	0	0	116.7
236	R	29.8	Very low	30.4	Very low	237 Å²	237	171.2 Å²	171.2	89%	0.894	82%	0.815	S	S	*	*			trans	3.9	138	142.4	-58.9	162.3	174.2	164.7	-3.3	117.1
237	S	31.2	Very low	30.4	Very low	96 Å²	96	169.9 Å²	169.9	67%	0.671	82%	0.817	S	S	*	*				179	128.8	77.4	-172.6	0	0	0	0	116.4
238	R	30.9	Very low	31.4	Very low	223 Å²	223	165.8 Å²	165.8	84%	0.842	81%	0.811	S	S	*	*			trans	51.5	110.5	140.3	-61	174	-178.4	163.8	0.9	123.2
239	H	30.3	Very low	31.7	Very low	183 Å²	183	172.9 Å²	172.9	85%	0.847	82%	0.819	S	S	*	*				27.8	134.4	123.3	-62	-49	0	0	0	122.5
240	R	29.9	Very low	31.7	Very low	247 Å²	247	175 Å²	175	93%	0.932	82%	0.82	S	S	*	*				-162.6	135.4	95.5	-105.8	173	-179.4	174.4	1.9	113.8
241	R	32.2	Very low	31.9	Very low	235 Å²	235	174.1 Å²	174.1	89%	0.887	82%	0.819	S	S	*	*			trans	-103.5	155.8	155.3	-79.9	-176.2	173.2	179.8	-2	108.6
242	R	29	Very low	32	Very low	254 Å²	254	176.3 Å²	176.3	96%	0.958	83%	0.826	S	S	*	*			trans	-146.7	153.1	150.6	-108.7	-177.8	178.7	-178.6	-1.3	109.9
243	S	32.4	Very low	32	Very low	108 Å²	108	172.7 Å²	172.7	76%	0.755	82%	0.815	S	S	*	*			trans	-136.4	159.1	-169	-45.5	0	0	0	0	110.9
244	R	32.4	Very low	32.1	Very low	224 Å²	224	178 Å²	178	85%	0.845	82%	0.818	S	S	*	*			trans	-164.1	114	157.2	-103.3	157.1	179.6	-178.5	-1.8	106.7
245	E	29.5	Very low	32.1	Very low	146 Å²	146	175.7 Å²	175.7	68%	0.682	81%	0.805	S	S	*	*				78.7	110.7	79.3	-72.7	-176.5	120.4	0	0	112.9
246	R	30	Very low	32.2	Very low	238 Å²	238	178.4 Å²	178.4	90%	0.898	81%	0.805	S	S	*	*				72.1	136.1	98.2	-69.3	177.3	172.9	-160.7	-1.1	112.9
247	G	31.7	Very low	32.2	Very low	75 Å²	75	174.9 Å²	174.9	77%	0.773	80%	0.798	S	S	*	*			cis	-161.8	-158.4	15.6	0	0	0	0	0	115.3
248	P	54.3	Low	32.1	Very low	118 Å²	118	174.6 Å²	174.6	77%	0.766	80%	0.795	S	S	*	*			trans	-133.9	167.5	-148.6	43.6	-30.1	0	0	0	119.4
249	Y	32.1	Very low	32.2	Very low	216 Å²	216	172.5 Å²	172.5	85%	0.847	80%	0.795	S	S	*	*			trans	-156.7	129.4	151.9	-89.3	-82.9	0	0	0	109
250	R	33	Very low	32.3	Very low	215 Å²	215	172.4 Å²	172.4	81%	0.811	79%	0.792	S	S	*	*				56.2	139.3	86	-66.9	-167.7	175.1	-172.8	0.4	115.2
251	T	33.8	Very low	32.4	Very low	122 Å²	122	169.9 Å²	169.9	75%	0.748	78%	0.782	S	S	*	*			cis	-165.3	167.8	-0.5	8.9	0	0	0	0	113.3
252	R	32.2	Very low	32.3	Very low	233 Å²	233	169 Å²	169	88%	0.879	78%	0.779	S	S	*	*			trans	5.9	158.7	146.1	-75	-175.1	174.9	-179.2	-1.4	121.7
253	K	29.6	Very low	32.4	Very low	147 Å²	147	162.8 Å²	162.8	64%	0.639	77%	0.769	S	S	*	*			cis	175.3	138.6	-18.9	-155	-173	-175.8	-158.8	0	109.8
254	H	29.5	Very low	32.3	Very low	194 Å²	194	168.4 Å²	168.4	90%	0.898	77%	0.774	S	S	*	*			trans	62.7	166.2	163.9	-61.7	-39.4	0	0	0	119
255	A	30	Very low	32.2	Very low	65 Å²	65	162.2 Å²	162.2	54%	0.537	77%	0.765	S	S	.	*			cis	-172.7	169.5	-34.5	0	0	0	0	0	111.7
256	H	32.2	Very low	32.2	Very low	170 Å²	170	160.8 Å²	160.8	79%	0.787	77%	0.77	S	S	*	*			trans	69.3	160.4	172.5	-46	-80.1	0	0	0	116.5
257	H	30.3	Very low	32.2	Very low	163 Å²	163	153.9 Å²	153.9	76%	0.755	76%	0.758	S	S	*	*			cis	-131.4	143.7	0.4	-94.9	-72.8	0	0	0	109.1
258	C	29.6	Very low	32.2	Very low	91 Å²	91	155.8 Å²	155.8	62%	0.615	76%	0.759	S	S	*	*				59.1	115.4	79.7	-176	0	0	0	0	116.3
259	H	32	Very low	31.1	Very low	179 Å²	179	154.5 Å²	154.5	83%	0.829	76%	0.759	S	S	*	*				-170	162.8	118.7	-105	-76.3	0	0	0	114.4
260	K	32.3	Very low	31.1	Very low	181 Å²	181	149.2 Å²	149.2	79%	0.787	75%	0.754	S	S	*	*			trans	-111.3	168.2	175.5	-65.5	171.4	178.3	164.5	0	108
261	R	31.6	Very low	31.1	Very low	194 Å²	194	144.1 Å²	144.1	73%	0.732	75%	0.751	S	S	*	*			cis	-171.6	156.9	10	-136.1	175.4	-178	-179.8	-0.4	109.9
262	R	31.7	Very low	31.3	Very low	215 Å²	215	149.2 Å²	149.2	81%	0.811	76%	0.757	S	S	*	*			trans	64.7	160.5	157.9	-72.6	176.3	167.6	175.7	-6.8	116.5
263	T	29.7	Very low	31.7	Very low	124 Å²	124	143.6 Å²	143.6	76%	0.761	75%	0.753	S	S	*	*			cis	-104.8	-148.4	2.9	50	0	0	0	0	110.6
264	R	30.2	Very low	32.2	Very low	227 Å²	227	145.4 Å²	145.4	86%	0.857	76%	0.764	S	S	*	*			cis	-153.9	179.8	-3.3	-148.2	168.2	176.7	148.5	0.2	110.9
265	S	30.1	Very low	32.6	Very low	94 Å²	94	144.9 Å²	144.9	66%	0.657	76%	0.762	S	S	*	*			trans	-76.4	162.7	166.6	52.8	0	0	0	0	111.8
266	C	29.3	Very low	33	Very low	115 Å²	115	146 Å²	146	78%	0.777	77%	0.766	S	S	*	*			cis	-159.3	-164.7	-0.4	33.2	0	0	0	0	107.4
267	S	31.2	Very low	33.5	Very low	94 Å²	94	143.3 Å²	143.3	66%	0.657	77%	0.766	S	S	*	*			cis	-160.1	166.1	21.9	-58.2	0	0	0	0	113.4
268	S	31.6	Very low	34	Very low	114 Å²	114	144.3 Å²	144.3	80%	0.797	77%	0.768	S	S	*	*			trans	41.2	133.9	143.6	61.8	0	0	0	0	124.2
269	A	31.1	Very low	34.7	Very low	91 Å²	91	151.8 Å²	151.8	75%	0.752	78%	0.783	S	S	*	*			trans	108.4	108.6	135.8	0	0	0	0	0	121.2
270	S	31.6	Very low	35.2	Very low	106 Å²	106	148 Å²	148	74%	0.741	78%	0.777	S	S	*	*			trans	67.8	106.3	133.9	61.4	0	0	0	0	123.5
271	S	33.3	Very low	36	Very low	108 Å²	108	144.3 Å²	144.3	76%	0.755	77%	0.774	S	S	*	*				100.4	157.3	117.5	83.4	0	0	0	0	121.1
272	R	37.5	Very low	37.5	Very low	229 Å²	229	143.6 Å²	143.6	86%	0.864	77%	0.771	S	S	*	*			trans	66.2	73.9	167.2	-66.9	-176.6	170.6	176.9	-2.1	117.1	Q274	R272-Q274 PolarHBondContact O-N 3.03Å
273	S	41.2	Very low	39.2	Very low	115 Å²	115	138.1 Å²	138.1	80%	0.804	77%	0.766	S	S	*	*			trans	-57.5	96.4	152.2	52.1	0	0	0	0	111.9	Q275	S273-Q275 PolarHBondContact O-N 3.24Å
274	Q	39.4	Very low	42	Very low	185 Å²	185	135 Å²	135	86%	0.864	75%	0.746	S	S	*	*			trans	-86.3	90.6	154.9	-75.8	-165.4	-6.7	0	0	109	R272 S276	R272-Q274 PolarHBondContact O-N 3.03Å; Q274-S276 PolarHBondContact O-N 2.78Å
275	Q	39.5	Very low	45.1	Very low	183 Å²	183	129.5 Å²	129.5	86%	0.855	73%	0.731	S	S	*	*			trans	-69.3	87.7	159.7	-78.1	-176.5	-21.7	0	0	108	S273 S277	S273-Q275 PolarHBondContact O-N 3.24Å; Q275-S277 PolarHBondContact O-N 2.88Å
276	S	37.7	Very low	48.2	Very low	89 Å²	89	128 Å²	128	62%	0.622	72%	0.715	S	S	*	*			trans	-61.8	103.7	164.4	64.6	0	0	0	0	107.2	Q274 K278	Q274-S276 PolarHBondContact O-N 2.78Å; S276-K278 PolarHBondContact O-N 2.65Å
277	S	41.5	Very low	51.2	Low	112 Å²	112	125.1 Å²	125.1	78%	0.783	69%	0.692	S	S	*	*			trans	-71.6	68.4	176.4	45.7	0	0	0	0	109.9	Q275 R279	Q275-S277 PolarHBondContact O-N 2.88Å; S277-R279 PolarHBondContact O-N 2.73Å
278	K	41.9	Very low	54.1	Low	185 Å²	185	130.4 Å²	130.4	80%	0.804	70%	0.703	S	S	*	*			trans	-52.1	107.1	161	-71.5	-175.1	178.1	-178.2	0	105.9	S276 S280	S276-K278 PolarHBondContact O-N 2.65Å; K278-S280 PolarHBondContact O-N 2.82Å
279	R	43.9	Very low	57	Low	247 Å²	247	130 Å²	130	93%	0.932	69%	0.689	S	S	*	*			trans	-58	94.1	165.8	-82.4	179.1	163.6	-176.4	-6.5	105.9	S277 S281	S277-R279 PolarHBondContact O-N 2.73Å; R279-S281 PolarHBondContact O-N 3.26Å
280	S	43.2	Very low	59.9	Low	99 Å²	99	126.1 Å²	126.1	69%	0.692	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-54.9	128.5	167.1	-172.1	0	0	0	0	105.9	K278 R282	K278-S280 PolarHBondContact O-N 2.82Å; S280-R282 PolarHBondContact O-N 2.9Å
281	S	49.3	Very low	62.9	Low	105 Å²	105	122 Å²	122	73%	0.734	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-50.1	119.2	158.6	36	0	0	0	0	106.4	R279 S283	R279-S281 PolarHBondContact O-N 3.26Å; S281-S283 PolarHBondContact O-N 2.96Å
282	R	61.5	Low	65.9	Low	178 Å²	178	117.2 Å²	117.2	67%	0.672	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-62.8	121.4	169.5	-74.5	-173.6	177.7	163.2	4.9	105	S280 V284 G297 D298	S280-R282 PolarHBondContact O-N 2.9Å; R282-V284 PolarHBondContact O-N 3Å; R282-G297 PolarHBondContact NH1-O 3.14Å; R282-D298 WeakPolarHBondContact CD-OD1 2.94Å; R282-D298 IonicContact CZ-OD1 2.84Å; R282-D298 IonicContact NE-OD1 3.86Å; R282-D298 IonicContact NH1-OD1 3.48Å; R282-D298 PolarHBondContact NH1-OD1 2.97Å
283	S	68.7	Low	68.6	Low	101 Å²	101	109 Å²	109	71%	0.706	57%	0.568	S	S	*	*			trans	-60.3	115.7	178.1	-171.2	0	0	0	0	107.5	S281 E285	S281-S283 PolarHBondContact O-N 2.96Å; S283-E285 PolarHBondContact O-N 3.38Å
284	V	88.7	Confident	71	Confident	57 Å²	57	104.6 Å²	104.6	35%	0.345	54%	0.537	S	S	.	.			trans	-70.8	119.1	171.7	179.8	0	0	0	0	106.5	R282 L292 F376 H377	R282-V284 PolarHBondContact O-N 3Å; V284-L292 HydrophobicContact CG1-CD1 3.63Å; V284-F376 HydrophobicContact CG1-CE1 3.83Å; V284-F376 HydrophobicContact CG1-CZ 4.48Å; V284-F376 HydrophobicContact CG2-CE1 4.11Å; V284-F376 HydrophobicContact CG2-CZ 3.95Å; V284-H377 HydrophobicContact CG1-CB 4.04Å
285	E	94.1	Very high	73.6	Confident	113 Å²	113	104.6 Å²	104.6	53%	0.528	53%	0.529	S	S	.	.			trans	-131	145	-175.8	67.2	-174.4	-177	0	0	111.4	S283 V293	S283-E285 PolarHBondContact O-N 3.38Å; E285-V293 HydrophobicContact CG-CB 3.83Å; E285-V293 HydrophobicContact CG-CG1 4.3Å; E285-V293 HydrophobicContact CG-CG2 4.05Å; E285-V293 WeakPolarHBondContact O-CB 3.28Å; E285-V293 WeakPolarHBondContact O-CG2 3.16Å; E285-V293 PolarHBondContact O-N 2.82Å
286	D	94.9	Very high	76.3	Confident	63 Å²	63	101 Å²	101	34%	0.337	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-102.3	145.9	178.1	-64.7	31.2	0	0	0	108.5	H291 N338 H379	D286-H291 WeakPolarHBondContact CA-O 3.17Å; D286-N338 WeakPolarHBondContact OD2-CB 3.39Å; D286-N338 PolarHBondContact OD2-ND2 3.36Å; D286-H379 IonicContact OD1-NE2 2.65Å; D286-H379 PolarHBondContact OD1-NE2 2.74Å; D286-H379 IonicContact OD2-CE1 2.66Å; D286-H379 IonicContact OD2-NE2 2.79Å
287	D	93.3	Very high	79	Confident	54 Å²	54	98.3 Å²	98.3	29%	0.289	50%	0.5	S	S	.	.			trans	-76.3	175	167.3	65.2	26.5	0	0	0	112.2	E289 G290 H291 V293	D287-E289 PolarHBondContact O-N 3.43Å; D287-E289 VanDerWaalsContact O-N 3.16Å; D287-E289 VanDerWaalsContact OD1-C 3.3Å; D287-E289 WeakPolarHBondContact OD1-CA 3.33Å; D287-E289 WeakPolarHBondContact OD1-CB 3.41Å; D287-E289 PolarHBondContact OD1-N 3.37Å; D287-E289 VanDerWaalsContact OD1-N 3.13Å; D287-G290 PolarHBondContact O-N 2.91Å; D287-G290 PolarHBondContact OD1-N 2.93Å; D287-H291 PolarHBondContact N-O 3.12Å; D287-H291 IonicContact OD1-CD2 3.87Å; D287-H291 PolarHBondContact OD1-N 3.16Å; D287-H291 WeakPolarHBondContact OD2-CB 3.4Å; D287-V293 HydrophobicContact CB-CG2 4.2Å
288	K	93.1	Very high	81.6	Confident	204 Å²	204	94.5 Å²	94.5	89%	0.887	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.4	-177.7	-62.6	174.6	-176.9	172.9	0	112.2
289	E	91.4	Very high	84.1	Confident	105 Å²	105	91 Å²	91	49%	0.491	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6	177.6	-67.4	66	-146.4	0	0	111.6	D287 R337	D287-E289 PolarHBondContact O-N 3.43Å; D287-E289 VanDerWaalsContact O-N 3.16Å; D287-E289 VanDerWaalsContact OD1-C 3.3Å; D287-E289 WeakPolarHBondContact OD1-CA 3.33Å; D287-E289 WeakPolarHBondContact OD1-CB 3.41Å; D287-E289 PolarHBondContact OD1-N 3.37Å; D287-E289 VanDerWaalsContact OD1-N 3.13Å; E289-R337 VanDerWaalsContact O-CZ 3.24Å; E289-R337 PolarHBondContact O-NE 3.12Å; E289-R337 PolarHBondContact O-NH2 3.43Å
290	G	92.9	Very high	86.6	Confident	10 Å²	10	79.4 Å²	79.4	10%	0.103	41%	0.41	C	S	.	.			trans	74.2	23.4	179.3	0	0	0	0	0	114.2	D287 R337 N338 H379	D287-G290 PolarHBondContact O-N 2.91Å; D287-G290 PolarHBondContact OD1-N 2.93Å; G290-R337 CarbonylContact O-C 3.53Å; G290-R337 WeakPolarHBondContact O-CA 3.26Å; G290-R337 VanDerWaalsContact O-CB 3.3Å; G290-R337 WeakPolarHBondContact O-CB 3.24Å; G290-N338 PolarHBondContact O-N 2.91Å; G290-H379 PolarHBondContact O-CE1 3.13Å
291	H	94.8	Very high	89	Confident	19 Å²	19	79.1 Å²	79.1	9%	0.088	40%	0.397	C	S	.	.			trans	-82.2	149.3	162.2	-60.5	-127	0	0	0	109.2	D286 D287 E312 R337	D286-H291 WeakPolarHBondContact CA-O 3.17Å; D287-H291 PolarHBondContact N-O 3.12Å; D287-H291 IonicContact OD1-CD2 3.87Å; D287-H291 PolarHBondContact OD1-N 3.16Å; D287-H291 WeakPolarHBondContact OD2-CB 3.4Å; H291-E312 IonicContact CE1-OE1 2.63Å; H291-E312 IonicContact ND1-OE1 2.78Å; H291-E312 PolarHBondContact ND1-OE1 3.04Å; H291-R337 HydrophobicContact CB-CG 4.49Å; H291-R337 PolarHBondContact CD2-NE 3.14Å; H291-R337 VanDerWaalsContact NE2-CD 3.25Å; H291-R337 WeakPolarHBondContact NE2-CD 3.33Å; H291-R337 PolarHBondContact NE2-NE 2.99Å
292	L	95	Very high	91.2	Very high	8 Å²	8	83 Å²	83	4%	0.042	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-63.9	133.8	169.9	-177	63.1	0	0	0	109.9	V284 C294 L300 K317 I335 F376 H379	V284-L292 HydrophobicContact CG1-CD1 3.63Å; L292-C294 HydrophobicContact CD2-CB 4Å; L292-C294 HydrophobicContact CG-CB 4.02Å; L292-C294 PolarHBondContact O-N 2.94Å; L292-L300 HydrophobicContact CD2-CD2 4.11Å; L292-K317 PolarHBondContact O-NZ 2.96Å; L292-I335 HydrophobicContact CB-CG2 4.1Å; L292-I335 HydrophobicContact CD2-CD1 4.26Å; L292-I335 HydrophobicContact CD2-CG2 4.04Å; L292-F376 HydrophobicContact CD1-CE1 4.36Å; L292-F376 HydrophobicContact CD2-CD1 4.25Å; L292-F376 HydrophobicContact CD2-CE1 4.25Å; L292-H379 PolarHBondContact N-CE1 2.96Å; L292-H379 VanDerWaalsContact N-CE1 3.26Å
293	V	94.1	Very high	92.9	Very high	57 Å²	57	77 Å²	77	35%	0.345	38%	0.381	S	S	.	.			trans	-84.3	83.6	170.2	-175.4	0	0	0	0	108.8	E285 D287	E285-V293 HydrophobicContact CG-CB 3.83Å; E285-V293 HydrophobicContact CG-CG1 4.3Å; E285-V293 HydrophobicContact CG-CG2 4.05Å; E285-V293 WeakPolarHBondContact O-CB 3.28Å; E285-V293 WeakPolarHBondContact O-CG2 3.16Å; E285-V293 PolarHBondContact O-N 2.82Å; D287-V293 HydrophobicContact CB-CG2 4.2Å
294	C	92.8	Very high	94.3	Very high	22 Å²	22	72.1 Å²	72.1	15%	0.149	35%	0.348	C	S	.	.			trans	-118.2	152.6	178.1	59.2	0	0	0	0	112	L292 I306	L292-C294 HydrophobicContact CD2-CB 4Å; L292-C294 HydrophobicContact CG-CB 4.02Å; L292-C294 PolarHBondContact O-N 2.94Å; C294-I306 HydrophobicContact CB-CD1 3.74Å
295	R	93.3	Very high	94.7	Very high	185 Å²	185	71.7 Å²	71.7	70%	0.698	34%	0.342	S	S	*	.			trans	-133.9	168.9	177.8	-58.3	-176.9	-179.5	-167.5	0.1	111	G297 D298	R295-G297 PolarHBondContact O-N 3.3Å; R295-D298 PolarHBondContact N-OD2 3.11Å; R295-D298 WeakPolarHBondContact O-CB 3.32Å; R295-D298 PolarHBondContact O-N 3.02Å; R295-D298 VanDerWaalsContact O-N 3.07Å
296	I	95.8	Very high	94.9	Very high	108 Å²	108	66.4 Å²	66.4	55%	0.554	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	131.8	168.6	-64.4	170.6	0	0	0	108.7	I306	I296-I306 HydrophobicContact CG1-CG2 4.31Å
297	G	94.7	Very high	95	Very high	32 Å²	32	65.9 Å²	65.9	33%	0.33	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	8.7	-171.8	0	0	0	0	0	115.4	R282 R295 I306	R282-G297 PolarHBondContact NH1-O 3.14Å; R295-G297 PolarHBondContact O-N 3.3Å; G297-I306 PolarHBondContact N-O 2.92Å
298	D	95.8	Very high	95.1	Very high	33 Å²	33	63.9 Å²	63.9	18%	0.176	31%	0.308	C	S	.	.			trans	-89.4	157.4	163.3	-72.7	-46.5	0	0	0	111.7	R282 R295 I306	R282-D298 WeakPolarHBondContact CD-OD1 2.94Å; R282-D298 IonicContact CZ-OD1 2.84Å; R282-D298 IonicContact NE-OD1 3.86Å; R282-D298 IonicContact NH1-OD1 3.48Å; R282-D298 PolarHBondContact NH1-OD1 2.97Å; R295-D298 PolarHBondContact N-OD2 3.11Å; R295-D298 WeakPolarHBondContact O-CB 3.32Å; R295-D298 PolarHBondContact O-N 3.02Å; R295-D298 VanDerWaalsContact O-N 3.07Å; D298-I306 HydrophobicContact CB-CD1 4.43Å; D298-I306 PolarHBondContact O-N 2.82Å
299	W	95.9	Very high	95.1	Very high	111 Å²	111	59.9 Å²	59.9	42%	0.42	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.6	-169.9	-76.1	62	0	0	0	111.6	Y304 E305 H324	W299-Y304 CarbonylContact C-O 3.59Å; W299-Y304 VanDerWaalsContact CA-O 3.32Å; W299-Y304 WeakPolarHBondContact CA-O 3.49Å; W299-E305 HydrophobicContact CD2-CB 4.02Å; W299-E305 HydrophobicContact CD2-CG 4.48Å; W299-E305 HydrophobicContact CE3-CB 4.46Å; W299-E305 HydrophobicContact CG-CB 4.48Å; W299-E305 HydrophobicContact CH2-CB 4.34Å; W299-E305 HydrophobicContact CZ2-CB 3.85Å; W299-E305 HydrophobicContact CZ2-CG 4Å; W299-E305 WeakPolarHBondContact CZ2-OE1 3.37Å; W299-E305 PolarHBondContact NE1-OE1 3.49Å; W299-H324 AromaticContact CH2-CD2 3.52Å; W299-H324 AromaticContact CH2-CE1 3.47Å; W299-H324 VanDerWaalsContact CH2-CE1 3.47Å; W299-H324 WeakPolarHBondContact CH2-CE1 3.44Å; W299-H324 AromaticContact CH2-CG 3.77Å; W299-H324 AromaticContact CH2-ND1 3.78Å; W299-H324 AromaticContact CH2-NE2 3.33Å; W299-H324 VanDerWaalsContact CH2-NE2 3.33Å; W299-H324 WeakPolarHBondContact CH2-NE2 3.47Å; W299-H324 AromaticContact CZ2-CE1 3.94Å; W299-H324 AromaticContact CZ2-NE2 3.68Å; W299-H324 HydrophobicContact CZ3-CB 4.5Å; W299-H324 AromaticContact CZ3-CD2 3.75Å
300	L	95.6	Very high	95.1	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.1	173.4	-68.1	88.2	0	0	0	110.7	L292 E302 R303 Y304 I306 L333 I335 F374 F376	L292-L300 HydrophobicContact CD2-CD2 4.11Å; L300-E302 PolarHBondContact O-N 3.14Å; L300-E302 VanDerWaalsContact O-N 3.07Å; L300-R303 PolarHBondContact O-N 3.23Å; L300-Y304 PolarHBondContact N-O 2.92Å; L300-Y304 PolarHBondContact O-N 2.85Å; L300-I306 HydrophobicContact CD1-CD1 3.84Å; L300-I306 HydrophobicContact CD1-CG1 4.06Å; L300-L333 HydrophobicContact CD1-CD2 4.49Å; L300-L333 HydrophobicContact CD2-CD2 4.3Å; L300-I335 HydrophobicContact CD1-CD1 4.45Å; L300-I335 HydrophobicContact CD2-CD1 4.04Å; L300-F374 HydrophobicContact CB-CE2 4.32Å; L300-F374 HydrophobicContact CB-CZ 4.26Å; L300-F374 HydrophobicContact CD2-CE2 4.22Å; L300-F374 HydrophobicContact CD2-CZ 4.47Å; L300-F376 HydrophobicContact CB-CE2 4.43Å; L300-F376 HydrophobicContact CD2-CB 4.48Å; L300-F376 HydrophobicContact CD2-CD1 3.81Å; L300-F376 HydrophobicContact CD2-CE1 4.1Å; L300-F376 HydrophobicContact CD2-CG 4.04Å; L300-F376 HydrophobicContact CG-CD1 4.3Å; L300-F376 HydrophobicContact CG-CE1 4.11Å; L300-F376 HydrophobicContact CG-CE2 4.47Å; L300-F376 HydrophobicContact CG-CZ 4.2Å
301	Q	93.6	Very high	94.9	Very high	93 Å²	93	59.8 Å²	59.8	44%	0.435	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	26.8	-178.4	-60.6	-67.3	-6.8	0	0	114.5	R303 F374	Q301-R303 WeakPolarHBondContact O-CB 3.48Å; Q301-R303 PolarHBondContact O-N 2.85Å; Q301-F374 HydrophobicContact CG-CD1 4.22Å; Q301-F374 HydrophobicContact CG-CD2 3.55Å; Q301-F374 HydrophobicContact CG-CE1 4.26Å; Q301-F374 HydrophobicContact CG-CE2 3.56Å; Q301-F374 HydrophobicContact CG-CG 3.88Å; Q301-F374 HydrophobicContact CG-CZ 3.93Å
302	E	94.8	Very high	94.6	Very high	186 Å²	186	65.1 Å²	65.1	87%	0.869	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	21.4	-172.8	-56.5	-170.2	175.1	0	0	114.3	L300	L300-E302 PolarHBondContact O-N 3.14Å; L300-E302 VanDerWaalsContact O-N 3.07Å
303	R	97	Very high	94.1	Very high	52 Å²	52	66.5 Å²	66.5	20%	0.196	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-38.3	-167.3	171.4	175.3	168.2	-155.8	-10.4	113.8	L300 Q301 D323 H324 A325 D372	L300-R303 PolarHBondContact O-N 3.23Å; Q301-R303 WeakPolarHBondContact O-CB 3.48Å; Q301-R303 PolarHBondContact O-N 2.85Å; R303-D323 WeakPolarHBondContact CG-OD1 3.47Å; R303-D323 IonicContact CZ-OD1 3.53Å; R303-D323 IonicContact CZ-OD2 3.8Å; R303-D323 IonicContact NE-OD1 3.44Å; R303-D323 PolarHBondContact NE-OD1 3.28Å; R303-D323 IonicContact NE-OD2 3.86Å; R303-D323 PolarHBondContact NE-OD2 2.95Å; R303-D323 IonicContact NH2-OD1 3.53Å; R303-D323 IonicContact NH2-OD2 3.43Å; R303-D323 PolarHBondContact NH2-OD2 3.47Å; R303-H324 PolarHBondContact O-CD2 2.83Å; R303-H324 PolarHBondContact O-N 3.38Å; R303-A325 HydrophobicContact CG-CB 3.82Å; R303-D372 IonicContact CZ-OD2 3.62Å; R303-D372 IonicContact NH1-OD2 3.74Å; R303-D372 PolarHBondContact NH1-OD2 3.37Å; R303-D372 IonicContact NH2-OD2 2.72Å; R303-D372 PolarHBondContact NH2-OD2 2.89Å
304	Y	98	Very high	93.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.6	-177.1	-64.8	-74	0	0	0	110	W299 L300 C321 L322 D323 V331 D372 F374 A383	W299-Y304 CarbonylContact C-O 3.59Å; W299-Y304 VanDerWaalsContact CA-O 3.32Å; W299-Y304 WeakPolarHBondContact CA-O 3.49Å; L300-Y304 PolarHBondContact N-O 2.92Å; L300-Y304 PolarHBondContact O-N 2.85Å; Y304-C321 HydrophobicContact CD1-CB 4.32Å; Y304-L322 WeakPolarHBondContact CA-O 3.33Å; Y304-D323 HydrophobicContact CD1-CB 4.09Å; Y304-D323 HydrophobicContact CE1-CB 3.77Å; Y304-D323 WeakPolarHBondContact CE1-OD2 3.37Å; Y304-D323 PolarHBondContact OH-OD2 2.82Å; Y304-V331 HydrophobicContact CD1-CG2 3.82Å; Y304-V331 HydrophobicContact CE1-CG2 3.83Å; Y304-D372 VanDerWaalsContact OH-CB 3.25Å; Y304-D372 WeakPolarHBondContact OH-CB 3.45Å; Y304-D372 PolarHBondContact OH-OD2 3.26Å; Y304-F374 AromaticContact CD2-CE1 3.74Å; Y304-F374 HydrophobicContact CD2-CE1 3.74Å; Y304-F374 AromaticContact CD2-CZ 3.9Å; Y304-F374 HydrophobicContact CD2-CZ 3.9Å; Y304-F374 HydrophobicContact CE2-CD1 4.25Å; Y304-F374 AromaticContact CE2-CE1 3.44Å; Y304-F374 HydrophobicContact CE2-CE1 3.44Å; Y304-F374 VanDerWaalsContact CE2-CE1 3.44Å; Y304-F374 HydrophobicContact CE2-CZ 4.1Å; Y304-A383 HydrophobicContact CE1-CB 4.46Å
305	E	97.8	Very high	93.4	Very high	47 Å²	47	71.5 Å²	71.5	22%	0.22	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.2	175.4	176	167.9	-132.4	0	0	109.7	W299 V307 C321 L322 H324	W299-E305 HydrophobicContact CD2-CB 4.02Å; W299-E305 HydrophobicContact CD2-CG 4.48Å; W299-E305 HydrophobicContact CE3-CB 4.46Å; W299-E305 HydrophobicContact CG-CB 4.48Å; W299-E305 HydrophobicContact CH2-CB 4.34Å; W299-E305 HydrophobicContact CZ2-CB 3.85Å; W299-E305 HydrophobicContact CZ2-CG 4Å; W299-E305 WeakPolarHBondContact CZ2-OE1 3.37Å; W299-E305 PolarHBondContact NE1-OE1 3.49Å; E305-V307 PolarHBondContact O-N 3.44Å; E305-C321 CarbonylContact O-C 3.55Å; E305-C321 WeakPolarHBondContact O-CA 3.48Å; E305-C321 WeakPolarHBondContact O-CB 3.37Å; E305-L322 PolarHBondContact N-O 2.91Å; E305-L322 VanDerWaalsContact N-O 3.14Å; E305-L322 PolarHBondContact O-N 3.26Å; E305-H324 WeakPolarHBondContact CB-NE2 3.49Å; E305-H324 IonicContact OE2-CE1 3.67Å; E305-H324 PolarHBondContact OE2-CE1 3.33Å; E305-H324 VanDerWaalsContact OE2-CE1 3.25Å; E305-H324 IonicContact OE2-NE2 3.88Å; E305-H324 PolarHBondContact OE2-NE2 3.05Å
306	I	97.8	Very high	93.3	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	122.5	178.9	-60.2	175.9	0	0	0	109.6	C294 I296 G297 D298 L300 V319	C294-I306 HydrophobicContact CB-CD1 3.74Å; I296-I306 HydrophobicContact CG1-CG2 4.31Å; G297-I306 PolarHBondContact N-O 2.92Å; D298-I306 HydrophobicContact CB-CD1 4.43Å; D298-I306 PolarHBondContact O-N 2.82Å; L300-I306 HydrophobicContact CD1-CD1 3.84Å; L300-I306 HydrophobicContact CD1-CG1 4.06Å; I306-V319 HydrophobicContact CD1-CG2 4.25Å; I306-V319 HydrophobicContact CG1-CG2 4.14Å; I306-V319 HydrophobicContact CG2-CB 4.1Å; I306-V319 HydrophobicContact CG2-CG1 4.42Å
307	V	97.6	Very high	93.2	Very high	53 Å²	53	59.8 Å²	59.8	32%	0.321	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-23.8	176.8	-67.6	0	0	0	0	113.6	E305 E320 L322	E305-V307 PolarHBondContact O-N 3.44Å; V307-E320 HydrophobicContact CG2-CB 4.07Å; V307-E320 HydrophobicContact CG2-CG 3.75Å; V307-E320 WeakPolarHBondContact CG2-O 3.44Å; V307-E320 PolarHBondContact N-O 2.79Å; V307-L322 HydrophobicContact CG1-CD1 3.86Å; V307-L322 HydrophobicContact CG1-CG 3.77Å; V307-L322 HydrophobicContact CG2-CG 4.34Å
308	G	95.5	Very high	93.3	Very high	11 Å²	11	60.5 Å²	60.5	11%	0.113	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	167.6	-177.2	0	0	0	0	0	114	V319 E320	G308-V319 CarbonylContact O-C 3.34Å; G308-V319 WeakPolarHBondContact O-CA 3.36Å; G308-V319 WeakPolarHBondContact O-CB 3.4Å; G308-E320 PolarHBondContact N-O 2.67Å; G308-E320 PolarHBondContact O-N 2.87Å
309	N	94.1	Very high	93.3	Very high	120 Å²	120	59 Å²	59	64%	0.642	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.9	172.9	-66.7	-34.2	0	0	0	108.7
310	L	91.5	Very high	93.4	Very high	77 Å²	77	55.6 Å²	55.6	40%	0.403	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-31.4	-178.9	-61.2	171.8	0	0	0	112	V318 E320 A332 L386	L310-V318 WeakPolarHBondContact CA-O 3.36Å; L310-V318 HydrophobicContact CB-CB 4.36Å; L310-V318 HydrophobicContact CB-CG1 4.14Å; L310-V318 HydrophobicContact CD1-CG1 4.24Å; L310-V318 PolarHBondContact N-O 3.18Å; L310-E320 HydrophobicContact CD1-CB 4.03Å; L310-E320 HydrophobicContact CD2-CB 4.16Å; L310-E320 HydrophobicContact CG-CB 3.98Å; L310-A332 HydrophobicContact CD1-CB 3.72Å; L310-L386 HydrophobicContact CD1-CD1 3.68Å; L310-L386 HydrophobicContact CD2-CD1 4.25Å
311	G	88.3	Confident	93.5	Very high	36 Å²	36	55.4 Å²	55.4	37%	0.371	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	166.7	175	0	0	0	0	0	114.2	V318	G311-V318 PolarHBondContact N-O 2.89Å; G311-V318 PolarHBondContact O-N 2.81Å
312	E	88.1	Confident	93.7	Very high	131 Å²	131	52.8 Å²	52.8	61%	0.612	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	139.8	173.3	178.8	158.2	-140.3	0	0	110.2	H291 K317	H291-E312 IonicContact CE1-OE1 2.63Å; H291-E312 IonicContact ND1-OE1 2.78Å; H291-E312 PolarHBondContact ND1-OE1 3.04Å; E312-K317 HydrophobicContact CB-CG 4.36Å; E312-K317 HydrophobicContact CG-CG 4Å; E312-K317 WeakPolarHBondContact OE1-CE 3.36Å; E312-K317 VanDerWaalsContact OE1-CG 3.31Å; E312-K317 WeakPolarHBondContact OE1-CG 3.13Å
313	G	84.9	Confident	93.9	Very high	38 Å²	38	43.9 Å²	43.9	39%	0.392	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	-178	-176.8	0	0	0	0	0	112.6	F315 G316	G313-F315 PolarHBondContact O-N 3.07Å; G313-F315 VanDerWaalsContact O-N 3.12Å; G313-G316 PolarHBondContact N-O 2.72Å; G313-G316 PolarHBondContact O-N 2.99Å; G313-G316 VanDerWaalsContact O-N 3.14Å; G313-G316 VanDerWaalsContact O-O 3.06Å
314	T	84.8	Confident	93.8	Very high	86 Å²	86	44 Å²	44	53%	0.528	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.7	-174.4	59.9	0	0	0	0	113.6	R337 Y342	T314-R337 WeakPolarHBondContact O-CD 3.25Å; T314-R337 PolarHBondContact O-NH1 2.79Å; T314-Y342 WeakPolarHBondContact O-CE2 3.25Å; T314-Y342 PolarHBondContact O-OH 3.14Å
315	F	86.4	Confident	93.7	Very high	97 Å²	97	47.7 Å²	47.7	43%	0.425	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-25.4	178.8	-55	-85.8	0	0	0	113.8	G313 I336 R337 Y342	G313-F315 PolarHBondContact O-N 3.07Å; G313-F315 VanDerWaalsContact O-N 3.12Å; F315-I336 HydrophobicContact CB-CD1 4.36Å; F315-R337 WeakPolarHBondContact O-CG 3.31Å; F315-R337 PolarHBondContact O-N 2.79Å; F315-Y342 AromaticContact CD1-CD1 3.58Å; F315-Y342 HydrophobicContact CD1-CD1 3.58Å; F315-Y342 AromaticContact CD1-CE1 3.79Å; F315-Y342 HydrophobicContact CD1-CE1 3.79Å; F315-Y342 HydrophobicContact CE1-CD1 4.2Å; F315-Y342 HydrophobicContact CE1-CE1 4.18Å; F315-Y342 HydrophobicContact CG-CD1 4.41Å; F315-Y342 HydrophobicContact CG-CE1 4.47Å
316	G	92	Very high	93.5	Very high	9 Å²	9	52.1 Å²	52.1	9%	0.093	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.6	-158	-168.6	0	0	0	0	0	113.6	G313 I335	G313-G316 PolarHBondContact N-O 2.72Å; G313-G316 PolarHBondContact O-N 2.99Å; G313-G316 VanDerWaalsContact O-N 3.14Å; G313-G316 VanDerWaalsContact O-O 3.06Å; G316-I335 VanDerWaalsContact CA-O 3.31Å; G316-I335 WeakPolarHBondContact CA-O 3.3Å
317	K	93.9	Very high	93.4	Very high	38 Å²	38	55.5 Å²	55.5	17%	0.165	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	150.1	-177.5	-65.9	167.1	-175.3	166	0	110	L292 E312 I335	L292-K317 PolarHBondContact O-NZ 2.96Å; E312-K317 HydrophobicContact CB-CG 4.36Å; E312-K317 HydrophobicContact CG-CG 4Å; E312-K317 WeakPolarHBondContact OE1-CE 3.36Å; E312-K317 VanDerWaalsContact OE1-CG 3.31Å; E312-K317 WeakPolarHBondContact OE1-CG 3.13Å; K317-I335 PolarHBondContact N-O 3.35Å; K317-I335 PolarHBondContact O-N 3.23Å
318	V	95.8	Very high	93.2	Very high	47 Å²	47	58.8 Å²	58.8	29%	0.285	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.4	167.7	-170.1	0	0	0	0	107.4	L310 G311 A332 L333 K334	L310-V318 WeakPolarHBondContact CA-O 3.36Å; L310-V318 HydrophobicContact CB-CB 4.36Å; L310-V318 HydrophobicContact CB-CG1 4.14Å; L310-V318 HydrophobicContact CD1-CG1 4.24Å; L310-V318 PolarHBondContact N-O 3.18Å; G311-V318 PolarHBondContact N-O 2.89Å; G311-V318 PolarHBondContact O-N 2.81Å; V318-A332 HydrophobicContact CG1-CB 4.34Å; V318-L333 WeakPolarHBondContact CA-O 3.18Å; V318-K334 HydrophobicContact CG2-CB 4.45Å; V318-K334 HydrophobicContact CG2-CG 4.18Å
319	V	96.8	Very high	93.3	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.6	-176.6	-65	0	0	0	0	110.4	I306 G308 L333 I335	I306-V319 HydrophobicContact CD1-CG2 4.25Å; I306-V319 HydrophobicContact CG1-CG2 4.14Å; I306-V319 HydrophobicContact CG2-CB 4.1Å; I306-V319 HydrophobicContact CG2-CG1 4.42Å; G308-V319 CarbonylContact O-C 3.34Å; G308-V319 WeakPolarHBondContact O-CA 3.36Å; G308-V319 WeakPolarHBondContact O-CB 3.4Å; V319-L333 HydrophobicContact CG2-CB 4.03Å; V319-L333 HydrophobicContact CG2-CD2 4.45Å; V319-L333 PolarHBondContact N-O 2.7Å; V319-L333 PolarHBondContact O-N 2.84Å; V319-I335 HydrophobicContact CG2-CD1 3.75Å; V319-I335 HydrophobicContact CG2-CG1 4.36Å
320	E	97.8	Very high	93.4	Very high	40 Å²	40	60.1 Å²	60.1	19%	0.187	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	128.7	170.6	-170	-170.1	155.4	0	0	108.5	V307 G308 L310 Q330 L386	V307-E320 HydrophobicContact CG2-CB 4.07Å; V307-E320 HydrophobicContact CG2-CG 3.75Å; V307-E320 WeakPolarHBondContact CG2-O 3.44Å; V307-E320 PolarHBondContact N-O 2.79Å; G308-E320 PolarHBondContact N-O 2.67Å; G308-E320 PolarHBondContact O-N 2.87Å; L310-E320 HydrophobicContact CD1-CB 4.03Å; L310-E320 HydrophobicContact CD2-CB 4.16Å; L310-E320 HydrophobicContact CG-CB 3.98Å; E320-Q330 PolarHBondContact OE1-NE2 2.97Å; E320-L386 HydrophobicContact CG-CD1 4.24Å; E320-L386 HydrophobicContact CG-CD2 3.98Å
321	C	98.1	Very high	93.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.1	176.7	-61	0	0	0	0	112.4	Y304 E305 Q330 V331	Y304-C321 HydrophobicContact CD1-CB 4.32Å; E305-C321 CarbonylContact O-C 3.55Å; E305-C321 WeakPolarHBondContact O-CA 3.48Å; E305-C321 WeakPolarHBondContact O-CB 3.37Å; C321-Q330 WeakPolarHBondContact O-CA 3.32Å; C321-V331 HydrophobicContact CB-CG2 3.84Å; C321-V331 PolarHBondContact N-O 2.88Å; C321-V331 WeakPolarHBondContact O-CG2 3.32Å; C321-V331 PolarHBondContact O-N 2.92Å
322	L	97.9	Very high	94.2	Very high	37 Å²	37	55.7 Å²	55.7	19%	0.194	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.9	162.4	-57.7	178.1	0	0	0	109.5	Y304 E305 V307 H324 K328 Q330	Y304-L322 WeakPolarHBondContact CA-O 3.33Å; E305-L322 PolarHBondContact N-O 2.91Å; E305-L322 VanDerWaalsContact N-O 3.14Å; E305-L322 PolarHBondContact O-N 3.26Å; V307-L322 HydrophobicContact CG1-CD1 3.86Å; V307-L322 HydrophobicContact CG1-CG 3.77Å; V307-L322 HydrophobicContact CG2-CG 4.34Å; L322-H324 PolarHBondContact O-CD2 3.26Å; L322-H324 PolarHBondContact O-N 3.02Å; L322-K328 HydrophobicContact CB-CB 4.31Å; L322-Q330 HydrophobicContact CD2-CG 3.8Å
323	D	97.8	Very high	94.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	93.8	172.1	-171.8	-25.2	0	0	0	109.7	R303 Y304 A325 R326 G327 K328 S329 V331	R303-D323 WeakPolarHBondContact CG-OD1 3.47Å; R303-D323 IonicContact CZ-OD1 3.53Å; R303-D323 IonicContact CZ-OD2 3.8Å; R303-D323 IonicContact NE-OD1 3.44Å; R303-D323 PolarHBondContact NE-OD1 3.28Å; R303-D323 IonicContact NE-OD2 3.86Å; R303-D323 PolarHBondContact NE-OD2 2.95Å; R303-D323 IonicContact NH2-OD1 3.53Å; R303-D323 IonicContact NH2-OD2 3.43Å; R303-D323 PolarHBondContact NH2-OD2 3.47Å; Y304-D323 HydrophobicContact CD1-CB 4.09Å; Y304-D323 HydrophobicContact CE1-CB 3.77Å; Y304-D323 WeakPolarHBondContact CE1-OD2 3.37Å; Y304-D323 PolarHBondContact OH-OD2 2.82Å; D323-A325 PolarHBondContact O-N 3.36Å; D323-A325 PolarHBondContact OD1-N 3.17Å; D323-A325 VanDerWaalsContact OD1-N 3.16Å; D323-R326 HydrophobicContact CB-CB 4.13Å; D323-R326 CarbonylContact O-C 3.44Å; D323-R326 PolarHBondContact O-N 3.07Å; D323-R326 PolarHBondContact OD1-N 3.16Å; D323-R326 VanDerWaalsContact OD2-CD 3.27Å; D323-R326 WeakPolarHBondContact OD2-CD 3.44Å; D323-R326 IonicContact OD2-NE 2.7Å; D323-G327 PolarHBondContact O-N 3.25Å; D323-K328 VanDerWaalsContact O-CA 3.28Å; D323-K328 WeakPolarHBondContact O-CA 3.33Å; D323-K328 PolarHBondContact O-N 3.02Å; D323-S329 PolarHBondContact N-O 2.96Å; D323-V331 HydrophobicContact CB-CG1 4.29Å
324	H	96.3	Very high	95.2	Very high	55 Å²	55	48.9 Å²	48.9	26%	0.255	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-65.1	-25.3	-176.8	-73.9	-102.7	0	0	0	113	W299 R303 E305 L322 R326 K328	W299-H324 AromaticContact CH2-CD2 3.52Å; W299-H324 AromaticContact CH2-CE1 3.47Å; W299-H324 VanDerWaalsContact CH2-CE1 3.47Å; W299-H324 WeakPolarHBondContact CH2-CE1 3.44Å; W299-H324 AromaticContact CH2-CG 3.77Å; W299-H324 AromaticContact CH2-ND1 3.78Å; W299-H324 AromaticContact CH2-NE2 3.33Å; W299-H324 VanDerWaalsContact CH2-NE2 3.33Å; W299-H324 WeakPolarHBondContact CH2-NE2 3.47Å; W299-H324 AromaticContact CZ2-CE1 3.94Å; W299-H324 AromaticContact CZ2-NE2 3.68Å; W299-H324 HydrophobicContact CZ3-CB 4.5Å; W299-H324 AromaticContact CZ3-CD2 3.75Å; R303-H324 PolarHBondContact O-CD2 2.83Å; R303-H324 PolarHBondContact O-N 3.38Å; E305-H324 WeakPolarHBondContact CB-NE2 3.49Å; E305-H324 IonicContact OE2-CE1 3.67Å; E305-H324 PolarHBondContact OE2-CE1 3.33Å; E305-H324 VanDerWaalsContact OE2-CE1 3.25Å; E305-H324 IonicContact OE2-NE2 3.88Å; E305-H324 PolarHBondContact OE2-NE2 3.05Å; L322-H324 PolarHBondContact O-CD2 3.26Å; L322-H324 PolarHBondContact O-N 3.02Å; H324-R326 VanDerWaalsContact C-N 3.27Å; H324-R326 PolarHBondContact O-N 3.47Å; H324-K328 WeakPolarHBondContact ND1-CE 3.33Å
325	A	95.7	Very high	95.8	Very high	77 Å²	77	45 Å²	45	64%	0.636	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-77.3	-13.8	173.8	0	0	0	0	0	113	R303 D323	R303-A325 HydrophobicContact CG-CB 3.82Å; D323-A325 PolarHBondContact O-N 3.36Å; D323-A325 PolarHBondContact OD1-N 3.17Å; D323-A325 VanDerWaalsContact OD1-N 3.16Å
326	R	93.5	Very high	96.3	Very high	139 Å²	139	40.6 Å²	40.6	53%	0.525	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-116.2	41.1	175.4	-60.7	-175.3	-175.6	-84.2	-1.4	111.6	D323 H324 K328 S329	D323-R326 HydrophobicContact CB-CB 4.13Å; D323-R326 CarbonylContact O-C 3.44Å; D323-R326 PolarHBondContact O-N 3.07Å; D323-R326 PolarHBondContact OD1-N 3.16Å; D323-R326 VanDerWaalsContact OD2-CD 3.27Å; D323-R326 WeakPolarHBondContact OD2-CD 3.44Å; D323-R326 IonicContact OD2-NE 2.7Å; H324-R326 VanDerWaalsContact C-N 3.27Å; H324-R326 PolarHBondContact O-N 3.47Å; R326-K328 VanDerWaalsContact C-N 3.32Å; R326-K328 PolarHBondContact O-N 2.96Å; R326-S329 VanDerWaalsContact CB-OG 3.27Å; R326-S329 WeakPolarHBondContact CB-OG 3.47Å; R326-S329 PolarHBondContact O-N 2.94Å; R326-S329 PolarHBondContact O-OG 2.89Å
327	G	94.2	Very high	96.5	Very high	73 Å²	73	42.2 Å²	42.2	75%	0.753	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	26.3	172.3	0	0	0	0	0	114.6	D323 S329	D323-G327 PolarHBondContact O-N 3.25Å; G327-S329 VanDerWaalsContact C-N 3.33Å
328	K	94.9	Very high	96.6	Very high	122 Å²	122	42.4 Å²	42.4	53%	0.53	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	33.5	-172.1	-51.2	-171.2	-175.8	-167.1	0	113.8	L322 D323 H324 R326	L322-K328 HydrophobicContact CB-CB 4.31Å; D323-K328 VanDerWaalsContact O-CA 3.28Å; D323-K328 WeakPolarHBondContact O-CA 3.33Å; D323-K328 PolarHBondContact O-N 3.02Å; H324-K328 WeakPolarHBondContact ND1-CE 3.33Å; R326-K328 VanDerWaalsContact C-N 3.32Å; R326-K328 PolarHBondContact O-N 2.96Å
329	S	96.2	Very high	96.6	Very high	50 Å²	50	42.7 Å²	42.7	35%	0.35	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	139.1	166.6	39.8	0	0	0	0	110.8	D323 R326 G327	D323-S329 PolarHBondContact N-O 2.96Å; R326-S329 VanDerWaalsContact CB-OG 3.27Å; R326-S329 WeakPolarHBondContact CB-OG 3.47Å; R326-S329 PolarHBondContact O-N 2.94Å; R326-S329 PolarHBondContact O-OG 2.89Å; G327-S329 VanDerWaalsContact C-N 3.33Å
330	Q	97.1	Very high	96.5	Very high	109 Å²	109	44.2 Å²	44.2	51%	0.509	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.7	177.5	-71.5	165.7	-78.4	0	0	110.6	E320 C321 L322 L386	E320-Q330 PolarHBondContact OE1-NE2 2.97Å; C321-Q330 WeakPolarHBondContact O-CA 3.32Å; L322-Q330 HydrophobicContact CD2-CG 3.8Å; Q330-L386 HydrophobicContact CB-CB 3.94Å; Q330-L386 HydrophobicContact CB-CD2 3.66Å; Q330-L386 HydrophobicContact CB-CG 4.43Å; Q330-L386 HydrophobicContact CG-CD2 4.23Å
331	V	97.7	Very high	96.2	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.036	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	148.5	177.9	-63.2	0	0	0	0	110.9	Y304 C321 D323 F384	Y304-V331 HydrophobicContact CD1-CG2 3.82Å; Y304-V331 HydrophobicContact CE1-CG2 3.83Å; C321-V331 HydrophobicContact CB-CG2 3.84Å; C321-V331 PolarHBondContact N-O 2.88Å; C321-V331 WeakPolarHBondContact O-CG2 3.32Å; C321-V331 PolarHBondContact O-N 2.92Å; D323-V331 HydrophobicContact CB-CG1 4.29Å; V331-F384 VanDerWaalsContact CA-O 3.25Å; V331-F384 WeakPolarHBondContact CA-O 3.35Å; V331-F384 WeakPolarHBondContact CB-O 3.35Å
332	A	97.9	Very high	96	Very high	14 Å²	14	50.4 Å²	50.4	12%	0.116	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.2	165	0	0	0	0	0	109.2	L310 V318 A383 F384 L386	L310-A332 HydrophobicContact CD1-CB 3.72Å; V318-A332 HydrophobicContact CG1-CB 4.34Å; A332-A383 WeakPolarHBondContact O-CA 3.21Å; A332-F384 PolarHBondContact N-O 3.48Å; A332-F384 VanDerWaalsContact N-O 3.11Å; A332-F384 PolarHBondContact O-N 2.94Å; A332-L386 HydrophobicContact CB-CD1 4.31Å
333	L	97.8	Very high	95.9	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	107.8	-177.8	-172.3	68.7	0	0	0	110.4	L300 V318 V319 I335 F374 C381 I382 A383	L300-L333 HydrophobicContact CD1-CD2 4.49Å; L300-L333 HydrophobicContact CD2-CD2 4.3Å; V318-L333 WeakPolarHBondContact CA-O 3.18Å; V319-L333 HydrophobicContact CG2-CB 4.03Å; V319-L333 HydrophobicContact CG2-CD2 4.45Å; V319-L333 PolarHBondContact N-O 2.7Å; V319-L333 PolarHBondContact O-N 2.84Å; L333-I335 HydrophobicContact CD2-CD1 4.17Å; L333-I335 HydrophobicContact CD2-CG1 4.17Å; L333-I335 HydrophobicContact CG-CG1 4.04Å; L333-I335 PolarHBondContact O-N 2.81Å; L333-F374 HydrophobicContact CD1-CE1 4.01Å; L333-F374 HydrophobicContact CD1-CZ 4.02Å; L333-F374 HydrophobicContact CD2-CZ 4.3Å; L333-C381 HydrophobicContact CD1-CB 4.22Å; L333-I382 WeakPolarHBondContact CA-O 3.36Å; L333-A383 HydrophobicContact CD1-CB 3.87Å
334	K	97.2	Very high	95.6	Very high	26 Å²	26	56 Å²	56	11%	0.113	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	105	175.7	-166	-175.7	-159.3	-176.2	0	108.7	V318 I336 E349 C381 I382 F384 D468	V318-K334 HydrophobicContact CG2-CB 4.45Å; V318-K334 HydrophobicContact CG2-CG 4.18Å; K334-I336 HydrophobicContact CD-CD1 4.12Å; K334-I336 HydrophobicContact CG-CD1 3.93Å; K334-E349 IonicContact NZ-OE1 2.84Å; K334-E349 PolarHBondContact NZ-OE1 3.4Å; K334-E349 IonicContact NZ-OE2 3.58Å; K334-E349 PolarHBondContact NZ-OE2 3.42Å; K334-C381 WeakPolarHBondContact O-CA 3.41Å; K334-I382 HydrophobicContact CB-CB 4.32Å; K334-I382 HydrophobicContact CD-CD1 4.49Å; K334-I382 PolarHBondContact N-O 3.09Å; K334-I382 PolarHBondContact O-N 2.89Å; K334-F384 HydrophobicContact CB-CE2 4.11Å; K334-F384 HydrophobicContact CD-CE2 4.41Å; K334-D468 IonicContact NZ-OD1 3.2Å; K334-D468 PolarHBondContact NZ-OD1 2.73Å
335	I	97.4	Very high	95.4	Very high	5 Å²	5	55 Å²	55	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	105.5	-179.5	-55.5	177.7	0	0	0	108.8	L292 L300 G316 K317 V319 L333 H379	L292-I335 HydrophobicContact CB-CG2 4.1Å; L292-I335 HydrophobicContact CD2-CD1 4.26Å; L292-I335 HydrophobicContact CD2-CG2 4.04Å; L300-I335 HydrophobicContact CD1-CD1 4.45Å; L300-I335 HydrophobicContact CD2-CD1 4.04Å; G316-I335 VanDerWaalsContact CA-O 3.31Å; G316-I335 WeakPolarHBondContact CA-O 3.3Å; K317-I335 PolarHBondContact N-O 3.35Å; K317-I335 PolarHBondContact O-N 3.23Å; V319-I335 HydrophobicContact CG2-CD1 3.75Å; V319-I335 HydrophobicContact CG2-CG1 4.36Å; L333-I335 HydrophobicContact CD2-CD1 4.17Å; L333-I335 HydrophobicContact CD2-CG1 4.17Å; L333-I335 HydrophobicContact CG-CG1 4.04Å; L333-I335 PolarHBondContact O-N 2.81Å; I335-H379 HydrophobicContact CG2-CB 4.17Å
336	I	97.4	Very high	95.4	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	142.6	-175	-56.5	-67	0	0	0	111.1	F315 K334 A346 H379 M380	F315-I336 HydrophobicContact CB-CD1 4.36Å; K334-I336 HydrophobicContact CD-CD1 4.12Å; K334-I336 HydrophobicContact CG-CD1 3.93Å; I336-A346 HydrophobicContact CB-CB 4.4Å; I336-A346 HydrophobicContact CD1-CB 4.47Å; I336-A346 HydrophobicContact CG1-CB 3.84Å; I336-A346 HydrophobicContact CG2-CB 4.18Å; I336-H379 WeakPolarHBondContact O-CA 3.47Å; I336-H379 WeakPolarHBondContact O-CB 3.49Å; I336-H379 PolarHBondContact O-ND1 3.39Å; I336-M380 HydrophobicContact CB-CB 4.16Å; I336-M380 VanDerWaalsContact CB-O 3.24Å; I336-M380 WeakPolarHBondContact CB-O 3.44Å; I336-M380 HydrophobicContact CG1-CB 4.35Å; I336-M380 VanDerWaalsContact CG1-O 3.31Å; I336-M380 WeakPolarHBondContact CG1-O 3.19Å; I336-M380 PolarHBondContact N-O 2.89Å
337	R	96.3	Very high	95.4	Very high	42 Å²	42	49.6 Å²	49.6	16%	0.158	27%	0.265	C	S	.	.			trans	-57.9	148.8	178.2	-69.4	164.5	76	163.2	11.3	113.1	E289 G290 H291 T314 F315 V339 Y342 R343	E289-R337 VanDerWaalsContact O-CZ 3.24Å; E289-R337 PolarHBondContact O-NE 3.12Å; E289-R337 PolarHBondContact O-NH2 3.43Å; G290-R337 CarbonylContact O-C 3.53Å; G290-R337 WeakPolarHBondContact O-CA 3.26Å; G290-R337 VanDerWaalsContact O-CB 3.3Å; G290-R337 WeakPolarHBondContact O-CB 3.24Å; H291-R337 HydrophobicContact CB-CG 4.49Å; H291-R337 PolarHBondContact CD2-NE 3.14Å; H291-R337 VanDerWaalsContact NE2-CD 3.25Å; H291-R337 WeakPolarHBondContact NE2-CD 3.33Å; H291-R337 PolarHBondContact NE2-NE 2.99Å; T314-R337 WeakPolarHBondContact O-CD 3.25Å; T314-R337 PolarHBondContact O-NH1 2.79Å; F315-R337 WeakPolarHBondContact O-CG 3.31Å; F315-R337 PolarHBondContact O-N 2.79Å; R337-V339 HydrophobicContact CB-CG2 4.28Å; R337-V339 PolarHBondContact O-N 3.49Å; R337-Y342 HydrophobicContact CB-CD2 3.99Å; R337-R343 WeakPolarHBondContact O-CG 3.44Å
338	N	95.6	Very high	95.3	Very high	42 Å²	42	50.6 Å²	50.6	23%	0.225	25%	0.252	C	S	.	.	S	Bend	trans	-75.9	33.8	-179.5	-149.2	-7.8	0	0	0	113.8	D286 G290 R343 H377 G378	D286-N338 WeakPolarHBondContact OD2-CB 3.39Å; D286-N338 PolarHBondContact OD2-ND2 3.36Å; G290-N338 PolarHBondContact O-N 2.91Å; N338-R343 PolarHBondContact OD1-NH1 3.25Å; N338-H377 PolarHBondContact ND2-O 3.19Å; N338-H377 VanDerWaalsContact ND2-O 3.12Å; N338-G378 VanDerWaalsContact OD1-C 3.28Å; N338-G378 VanDerWaalsContact OD1-CA 3.28Å; N338-G378 WeakPolarHBondContact OD1-CA 3.16Å; N338-G378 PolarHBondContact OD1-O 3.16Å
339	V	95.7	Very high	95.4	Very high	54 Å²	54	45 Å²	45	33%	0.327	23%	0.229	S	C	.	.	S	Bend	trans	-112.9	126.4	-176	-174.8	0	0	0	0	109	R337 K341 Y342 R343	R337-V339 HydrophobicContact CB-CG2 4.28Å; R337-V339 PolarHBondContact O-N 3.49Å; V339-K341 HydrophobicContact CG1-CG 4.29Å; V339-K341 PolarHBondContact O-N 2.93Å; V339-K341 VanDerWaalsContact O-N 3.14Å; V339-Y342 HydrophobicContact CB-CD2 3.93Å; V339-Y342 HydrophobicContact CG1-CD2 4.48Å; V339-Y342 HydrophobicContact CG2-CD2 4.46Å; V339-Y342 PolarHBondContact O-N 3.41Å; V339-R343 PolarHBondContact O-N 3.28Å
340	G	93.8	Very high	95.4	Very high	33 Å²	33	42.9 Å²	42.9	34%	0.34	21%	0.213	S	C	.	.	H	α-helix	trans	-38.5	-59.6	-171.6	0	0	0	0	0	114.8	Y342 R343 E344	G340-Y342 VanDerWaalsContact C-N 3.26Å; G340-Y342 PolarHBondContact O-N 3.48Å; G340-Y342 VanDerWaalsContact O-N 3.14Å; G340-R343 PolarHBondContact O-N 2.93Å; G340-E344 WeakPolarHBondContact O-CG 2.83Å; G340-E344 PolarHBondContact O-N 3.22Å
341	K	92.4	Very high	95.3	Very high	138 Å²	138	41.6 Å²	41.6	60%	0.6	21%	0.21	S	C	*	.	H	α-helix	trans	-52.6	-36.4	-179.1	68.7	178.2	-173.8	166.9	0	114.8	V339 A345	V339-K341 HydrophobicContact CG1-CG 4.29Å; V339-K341 PolarHBondContact O-N 2.93Å; V339-K341 VanDerWaalsContact O-N 3.14Å; K341-A345 PolarHBondContact O-N 2.92Å
342	Y	93.9	Very high	95.3	Very high	32 Å²	32	41.5 Å²	41.5	13%	0.125	21%	0.209	C	C	.	.	H	α-helix	trans	-79.8	-34	-179.6	-63.5	-50.2	0	0	0	111.2	T314 F315 R337 V339 G340 A346	T314-Y342 WeakPolarHBondContact O-CE2 3.25Å; T314-Y342 PolarHBondContact O-OH 3.14Å; F315-Y342 AromaticContact CD1-CD1 3.58Å; F315-Y342 HydrophobicContact CD1-CD1 3.58Å; F315-Y342 AromaticContact CD1-CE1 3.79Å; F315-Y342 HydrophobicContact CD1-CE1 3.79Å; F315-Y342 HydrophobicContact CE1-CD1 4.2Å; F315-Y342 HydrophobicContact CE1-CE1 4.18Å; F315-Y342 HydrophobicContact CG-CD1 4.41Å; F315-Y342 HydrophobicContact CG-CE1 4.47Å; R337-Y342 HydrophobicContact CB-CD2 3.99Å; V339-Y342 HydrophobicContact CB-CD2 3.93Å; V339-Y342 HydrophobicContact CG1-CD2 4.48Å; V339-Y342 HydrophobicContact CG2-CD2 4.46Å; V339-Y342 PolarHBondContact O-N 3.41Å; G340-Y342 VanDerWaalsContact C-N 3.26Å; G340-Y342 PolarHBondContact O-N 3.48Å; G340-Y342 VanDerWaalsContact O-N 3.14Å; Y342-A346 WeakPolarHBondContact O-CB 3.31Å; Y342-A346 PolarHBondContact O-N 2.83Å
343	R	95.1	Very high	95.2	Very high	69 Å²	69	40.9 Å²	40.9	26%	0.26	20%	0.204	S	C	.	.	H	α-helix	trans	-69.1	-37.1	175.3	-57	-173.2	-54.9	-169	8.9	112.4	R337 N338 V339 G340 A346 R347 G378 M380	R337-R343 WeakPolarHBondContact O-CG 3.44Å; N338-R343 PolarHBondContact OD1-NH1 3.25Å; V339-R343 PolarHBondContact O-N 3.28Å; G340-R343 PolarHBondContact O-N 2.93Å; R343-A346 PolarHBondContact O-N 2.77Å; R343-R347 WeakPolarHBondContact O-CG 3.31Å; R343-R347 PolarHBondContact O-N 3.42Å; R343-R347 VanDerWaalsContact O-N 3.11Å; R343-G378 WeakPolarHBondContact CD-O 3.36Å; R343-M380 HydrophobicContact CB-CG 4.02Å; R343-M380 HydrophobicContact CG-CG 4.3Å
344	E	92	Very high	95.1	Very high	86 Å²	86	45.6 Å²	45.6	40%	0.402	22%	0.224	S	C	.	.	H	α-helix	trans	-68.2	-44.9	174.5	-56.5	-42.2	135.8	0	0	111.4	G340 A346 R347 L348	G340-E344 WeakPolarHBondContact O-CG 2.83Å; G340-E344 PolarHBondContact O-N 3.22Å; E344-A346 VanDerWaalsContact C-N 3.31Å; E344-A346 PolarHBondContact O-N 2.9Å; E344-R347 WeakPolarHBondContact O-CB 3.43Å; E344-R347 PolarHBondContact O-N 2.72Å; E344-R347 IonicContact OE1-CZ 2.73Å; E344-R347 IonicContact OE1-NH1 2.67Å; E344-R347 PolarHBondContact OE1-NH1 2.84Å; E344-R347 IonicContact OE1-NH2 2.84Å; E344-R347 WeakPolarHBondContact OE2-CD 3.12Å; E344-R347 IonicContact OE2-CZ 2.65Å; E344-R347 IonicContact OE2-NE 3.99Å; E344-R347 IonicContact OE2-NH1 3.15Å; E344-R347 PolarHBondContact OE2-NH1 2.87Å; E344-L348 PolarHBondContact O-N 2.94Å; E344-L348 VanDerWaalsContact O-N 3.16Å
345	A	91.8	Very high	95.1	Very high	33 Å²	33	47.9 Å²	47.9	27%	0.273	23%	0.234	S	C	.	.	H	α-helix	trans	-56.8	-43.5	172.9	0	0	0	0	0	112.1	K341 R347 L348 E349	K341-A345 PolarHBondContact O-N 2.92Å; A345-R347 VanDerWaalsContact C-N 3.29Å; A345-R347 PolarHBondContact O-N 3.1Å; A345-L348 WeakPolarHBondContact O-CB 3.41Å; A345-L348 PolarHBondContact O-N 3.28Å; A345-L348 VanDerWaalsContact O-N 3.17Å; A345-E349 PolarHBondContact O-N 3.42Å
346	A	95.3	Very high	95	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-27.9	176.1	0	0	0	0	0	113.8	I336 Y342 R343 E344 I350 M380	I336-A346 HydrophobicContact CB-CB 4.4Å; I336-A346 HydrophobicContact CD1-CB 4.47Å; I336-A346 HydrophobicContact CG1-CB 3.84Å; I336-A346 HydrophobicContact CG2-CB 4.18Å; Y342-A346 WeakPolarHBondContact O-CB 3.31Å; Y342-A346 PolarHBondContact O-N 2.83Å; R343-A346 PolarHBondContact O-N 2.77Å; E344-A346 VanDerWaalsContact C-N 3.31Å; E344-A346 PolarHBondContact O-N 2.9Å; A346-I350 WeakPolarHBondContact O-CB 3.47Å; A346-I350 WeakPolarHBondContact O-CD1 3.46Å; A346-I350 WeakPolarHBondContact O-CG1 3.47Å; A346-I350 PolarHBondContact O-N 2.69Å; A346-M380 HydrophobicContact CB-CB 3.87Å; A346-M380 HydrophobicContact CB-CG 4.19Å
347	R	94.5	Very high	94.9	Very high	101 Å²	101	52.1 Å²	52.1	38%	0.381	25%	0.253	S	S	.	.	H	α-helix	trans	-71.5	-37.7	172.8	-72.2	169	-173.5	163	5.7	111.9	R343 E344 A345 I350 N351 M380	R343-R347 WeakPolarHBondContact O-CG 3.31Å; R343-R347 PolarHBondContact O-N 3.42Å; R343-R347 VanDerWaalsContact O-N 3.11Å; E344-R347 WeakPolarHBondContact O-CB 3.43Å; E344-R347 PolarHBondContact O-N 2.72Å; E344-R347 IonicContact OE1-CZ 2.73Å; E344-R347 IonicContact OE1-NH1 2.67Å; E344-R347 PolarHBondContact OE1-NH1 2.84Å; E344-R347 IonicContact OE1-NH2 2.84Å; E344-R347 WeakPolarHBondContact OE2-CD 3.12Å; E344-R347 IonicContact OE2-CZ 2.65Å; E344-R347 IonicContact OE2-NE 3.99Å; E344-R347 IonicContact OE2-NH1 3.15Å; E344-R347 PolarHBondContact OE2-NH1 2.87Å; A345-R347 VanDerWaalsContact C-N 3.29Å; A345-R347 PolarHBondContact O-N 3.1Å; R347-I350 PolarHBondContact O-N 3.16Å; R347-N351 VanDerWaalsContact O-CG 3.32Å; R347-N351 PolarHBondContact O-N 2.87Å; R347-N351 PolarHBondContact O-ND2 3.42Å; R347-M380 HydrophobicContact CG-CE 4.15Å
348	L	92.1	Very high	94.9	Very high	93 Å²	93	55 Å²	55	49%	0.487	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-46.7	172.4	-60.8	176	0	0	0	110.1	E344 A345 I350 N351 V352	E344-L348 PolarHBondContact O-N 2.94Å; E344-L348 VanDerWaalsContact O-N 3.16Å; A345-L348 WeakPolarHBondContact O-CB 3.41Å; A345-L348 PolarHBondContact O-N 3.28Å; A345-L348 VanDerWaalsContact O-N 3.17Å; L348-I350 PolarHBondContact O-N 3.01Å; L348-N351 WeakPolarHBondContact O-CB 3.19Å; L348-N351 PolarHBondContact O-N 3.04Å; L348-V352 PolarHBondContact O-N 2.91Å
349	E	95.9	Very high	94.9	Very high	6 Å²	6	57.8 Å²	57.8	3%	0.028	28%	0.278	C	S	.	.	H	α-helix	trans	-54.4	-48.4	173.5	-171.1	179	173.6	0	0	112	K334 A345 N351 V352 L353 I382 F469	K334-E349 IonicContact NZ-OE1 2.84Å; K334-E349 PolarHBondContact NZ-OE1 3.4Å; K334-E349 IonicContact NZ-OE2 3.58Å; K334-E349 PolarHBondContact NZ-OE2 3.42Å; A345-E349 PolarHBondContact O-N 3.42Å; E349-N351 VanDerWaalsContact C-N 3.3Å; E349-N351 PolarHBondContact O-N 3.37Å; E349-V352 PolarHBondContact O-N 3.35Å; E349-L353 HydrophobicContact CG-CD1 3.83Å; E349-L353 HydrophobicContact CG-CG 4.41Å; E349-L353 WeakPolarHBondContact O-CB 3.4Å; E349-L353 VanDerWaalsContact O-CG 3.26Å; E349-L353 WeakPolarHBondContact O-CG 3.17Å; E349-L353 PolarHBondContact O-N 3.12Å; E349-I382 HydrophobicContact CG-CD1 4.28Å; E349-F469 HydrophobicContact CG-CB 4.34Å
350	I	96.5	Very high	94.8	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-37.7	176.2	-72.4	161.5	0	0	0	111.7	A346 R347 L348 K354 M370 W373 M380 I382	A346-I350 WeakPolarHBondContact O-CB 3.47Å; A346-I350 WeakPolarHBondContact O-CD1 3.46Å; A346-I350 WeakPolarHBondContact O-CG1 3.47Å; A346-I350 PolarHBondContact O-N 2.69Å; R347-I350 PolarHBondContact O-N 3.16Å; L348-I350 PolarHBondContact O-N 3.01Å; I350-K354 HydrophobicContact CG2-CD 3.73Å; I350-K354 HydrophobicContact CG2-CG 4.42Å; I350-K354 VanDerWaalsContact O-CB 3.32Å; I350-K354 WeakPolarHBondContact O-CB 3.32Å; I350-K354 WeakPolarHBondContact O-CD 3.38Å; I350-K354 WeakPolarHBondContact O-CG 3.26Å; I350-K354 PolarHBondContact O-N 2.77Å; I350-M370 HydrophobicContact CG1-SD 4.33Å; I350-M370 HydrophobicContact CG2-SD 4.43Å; I350-W373 HydrophobicContact CD1-CB 4.1Å; I350-W373 HydrophobicContact CD1-CD2 4.03Å; I350-W373 HydrophobicContact CD1-CE3 3.82Å; I350-W373 HydrophobicContact CD1-CG 4.15Å; I350-W373 HydrophobicContact CG1-CB 4.25Å; I350-W373 HydrophobicContact CG1-CG 4.33Å; I350-W373 HydrophobicContact CG2-CD2 3.91Å; I350-W373 HydrophobicContact CG2-CG 3.89Å; I350-M380 HydrophobicContact CD1-CE 3.51Å; I350-I382 HydrophobicContact CD1-CD1 4.12Å; I350-I382 HydrophobicContact CD1-CG1 3.97Å; I350-I382 HydrophobicContact CG1-CD1 3.67Å; I350-I382 HydrophobicContact CG1-CG1 3.83Å
351	N	95.5	Very high	94.7	Very high	82 Å²	82	62.5 Å²	62.5	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-68.6	-42.4	177.4	-74.1	-24.8	0	0	0	112.2	R347 L348 E349 K354 K355	R347-N351 VanDerWaalsContact O-CG 3.32Å; R347-N351 PolarHBondContact O-N 2.87Å; R347-N351 PolarHBondContact O-ND2 3.42Å; L348-N351 WeakPolarHBondContact O-CB 3.19Å; L348-N351 PolarHBondContact O-N 3.04Å; E349-N351 VanDerWaalsContact C-N 3.3Å; E349-N351 PolarHBondContact O-N 3.37Å; N351-K354 PolarHBondContact O-N 3.38Å; N351-K355 PolarHBondContact O-N 3Å
352	V	96.5	Very high	94.6	Very high	3 Å²	3	62 Å²	62	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-50.3	173.1	173.5	0	0	0	0	110.6	L348 E349 K354 K355 I356 L427 F469 A472 F474	L348-V352 PolarHBondContact O-N 2.91Å; E349-V352 PolarHBondContact O-N 3.35Å; V352-K354 VanDerWaalsContact C-N 3.32Å; V352-K354 PolarHBondContact O-N 2.73Å; V352-K355 PolarHBondContact O-N 2.72Å; V352-I356 HydrophobicContact CG1-CD1 3.81Å; V352-I356 HydrophobicContact CG1-CG1 4.44Å; V352-I356 WeakPolarHBondContact O-CG1 3.43Å; V352-I356 PolarHBondContact O-N 3.47Å; V352-L427 HydrophobicContact CB-CD1 4.45Å; V352-L427 HydrophobicContact CG1-CD1 3.82Å; V352-L427 HydrophobicContact CG1-CD2 3.78Å; V352-L427 HydrophobicContact CG1-CG 4.47Å; V352-L427 HydrophobicContact CG2-CD1 3.82Å; V352-F469 HydrophobicContact CG1-CB 4.07Å; V352-F469 HydrophobicContact CG1-CD1 3.97Å; V352-F469 HydrophobicContact CG1-CG 4.3Å; V352-A472 HydrophobicContact CG1-CB 4.03Å; V352-A472 HydrophobicContact CG2-CB 4.35Å; V352-F474 HydrophobicContact CG2-CD2 4.47Å; V352-F474 HydrophobicContact CG2-CE2 3.81Å; V352-F474 HydrophobicContact CG2-CZ 4.38Å
353	L	97	Very high	94.5	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-38.8	178.4	-72.2	168.5	0	0	0	112.6	E349 K357 V368 M370 I382 F384 F469	E349-L353 HydrophobicContact CG-CD1 3.83Å; E349-L353 HydrophobicContact CG-CG 4.41Å; E349-L353 WeakPolarHBondContact O-CB 3.4Å; E349-L353 VanDerWaalsContact O-CG 3.26Å; E349-L353 WeakPolarHBondContact O-CG 3.17Å; E349-L353 PolarHBondContact O-N 3.12Å; L353-K357 VanDerWaalsContact O-CB 3.31Å; L353-K357 WeakPolarHBondContact O-CB 3.35Å; L353-K357 PolarHBondContact O-N 2.82Å; L353-V368 HydrophobicContact CD2-CG2 4.49Å; L353-M370 HydrophobicContact CB-CB 4.02Å; L353-M370 HydrophobicContact CB-CE 4.38Å; L353-M370 HydrophobicContact CB-SD 4.01Å; L353-M370 HydrophobicContact CD1-CB 4.19Å; L353-M370 HydrophobicContact CD1-CG 4.44Å; L353-M370 HydrophobicContact CD1-SD 4.09Å; L353-M370 HydrophobicContact CG-CB 4.48Å; L353-I382 HydrophobicContact CD1-CG2 4.03Å; L353-F384 HydrophobicContact CD1-CE1 3.66Å; L353-F384 HydrophobicContact CD1-CZ 3.69Å; L353-F384 HydrophobicContact CD2-CE1 3.92Å; L353-F384 HydrophobicContact CG-CE1 4.46Å; L353-F469 HydrophobicContact CD2-CB 4.4Å; L353-F469 HydrophobicContact CD2-CD2 3.63Å; L353-F469 HydrophobicContact CD2-CE2 4.27Å; L353-F469 HydrophobicContact CD2-CG 4.2Å
354	K	96.1	Very high	94.4	Very high	98 Å²	98	63.4 Å²	63.4	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-62.7	-41.1	171.8	-77.5	162.6	61.4	-165.1	0	111.7	I350 N351 V352 K357 E358 M370	I350-K354 HydrophobicContact CG2-CD 3.73Å; I350-K354 HydrophobicContact CG2-CG 4.42Å; I350-K354 VanDerWaalsContact O-CB 3.32Å; I350-K354 WeakPolarHBondContact O-CB 3.32Å; I350-K354 WeakPolarHBondContact O-CD 3.38Å; I350-K354 WeakPolarHBondContact O-CG 3.26Å; I350-K354 PolarHBondContact O-N 2.77Å; N351-K354 PolarHBondContact O-N 3.38Å; V352-K354 VanDerWaalsContact C-N 3.32Å; V352-K354 PolarHBondContact O-N 2.73Å; K354-K357 PolarHBondContact O-N 2.73Å; K354-E358 WeakPolarHBondContact O-CB 3.46Å; K354-E358 PolarHBondContact O-N 3.03Å; K354-M370 HydrophobicContact CG-CE 3.7Å
355	K	95.6	Very high	94.6	Very high	75 Å²	75	61.6 Å²	61.6	33%	0.326	29%	0.286	S	S	.	.	H	α-helix	trans	-71	-38.9	-179.4	-165.2	50.5	159.5	-178.2	0	112.5	N351 V352 E358 K359 F474	N351-K355 PolarHBondContact O-N 3Å; V352-K355 PolarHBondContact O-N 2.72Å; K355-E358 WeakPolarHBondContact CD-OE2 3.38Å; K355-E358 IonicContact NZ-OE1 3.97Å; K355-E358 PolarHBondContact NZ-OE1 2.87Å; K355-E358 IonicContact NZ-OE2 2.67Å; K355-E358 PolarHBondContact NZ-OE2 3.21Å; K355-E358 PolarHBondContact O-N 2.67Å; K355-K359 WeakPolarHBondContact O-CG 3.27Å; K355-K359 PolarHBondContact O-N 2.92Å; K355-K359 VanDerWaalsContact O-N 3.14Å; K355-F474 HydrophobicContact CB-CZ 4.13Å; K355-F474 HydrophobicContact CG-CE1 4.37Å; K355-F474 HydrophobicContact CG-CZ 4.13Å
356	I	96.1	Very high	94.8	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-51.9	170.1	-71.2	169.6	0	0	0	109.9	V352 E358 K359 D360 C367 F421 L422 F469	V352-I356 HydrophobicContact CG1-CD1 3.81Å; V352-I356 HydrophobicContact CG1-CG1 4.44Å; V352-I356 WeakPolarHBondContact O-CG1 3.43Å; V352-I356 PolarHBondContact O-N 3.47Å; I356-E358 VanDerWaalsContact C-N 3.32Å; I356-E358 PolarHBondContact O-N 2.83Å; I356-K359 PolarHBondContact O-N 2.79Å; I356-K359 VanDerWaalsContact O-N 3.14Å; I356-D360 PolarHBondContact O-N 2.89Å; I356-C367 HydrophobicContact CG2-CB 3.78Å; I356-F421 HydrophobicContact CG2-CE1 4.29Å; I356-L422 HydrophobicContact CD1-CD2 3.83Å; I356-L422 HydrophobicContact CG1-CD2 4Å; I356-F469 HydrophobicContact CD1-CD1 3.56Å; I356-F469 HydrophobicContact CD1-CD2 4.42Å; I356-F469 HydrophobicContact CD1-CE1 3.31Å; I356-F469 HydrophobicContact CD1-CE2 4.22Å; I356-F469 HydrophobicContact CD1-CG 4.12Å; I356-F469 HydrophobicContact CD1-CZ 3.7Å
357	K	95.4	Very high	94.9	Very high	88 Å²	88	60.5 Å²	60.5	38%	0.383	28%	0.275	S	S	.	.	H	α-helix	trans	-67.4	-25.9	-179.9	-169.7	175.3	-176.6	177.8	0	114.4	L353 K354 M370	L353-K357 VanDerWaalsContact O-CB 3.31Å; L353-K357 WeakPolarHBondContact O-CB 3.35Å; L353-K357 PolarHBondContact O-N 2.82Å; K354-K357 PolarHBondContact O-N 2.73Å; K357-M370 WeakPolarHBondContact CD-O 3.32Å; K357-M370 PolarHBondContact NZ-O 2.93Å
358	E	95.5	Very high	95	Very high	101 Å²	101	56 Å²	56	47%	0.472	26%	0.259	S	S	.	.	H	α-helix	trans	-69	-39.4	171.9	-174.2	-153.6	119.1	0	0	111.5	K354 K355 I356 K361	K354-E358 WeakPolarHBondContact O-CB 3.46Å; K354-E358 PolarHBondContact O-N 3.03Å; K355-E358 WeakPolarHBondContact CD-OE2 3.38Å; K355-E358 IonicContact NZ-OE1 3.97Å; K355-E358 PolarHBondContact NZ-OE1 2.87Å; K355-E358 IonicContact NZ-OE2 2.67Å; K355-E358 PolarHBondContact NZ-OE2 3.21Å; K355-E358 PolarHBondContact O-N 2.67Å; I356-E358 VanDerWaalsContact C-N 3.32Å; I356-E358 PolarHBondContact O-N 2.83Å; E358-K361 WeakPolarHBondContact O-CE 3.5Å
359	K	95.6	Very high	95	Very high	101 Å²	101	53.3 Å²	53.3	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-85.8	-39.2	-176.5	-70.5	-67.3	-169.7	100.4	0	113.2	K355 I356 F421 N425	K355-K359 WeakPolarHBondContact O-CG 3.27Å; K355-K359 PolarHBondContact O-N 2.92Å; K355-K359 VanDerWaalsContact O-N 3.14Å; I356-K359 PolarHBondContact O-N 2.79Å; I356-K359 VanDerWaalsContact O-N 3.14Å; K359-F421 HydrophobicContact CB-CE2 3.92Å; K359-F421 HydrophobicContact CB-CZ 3.74Å; K359-N425 WeakPolarHBondContact CE-OD1 3.34Å; K359-N425 WeakPolarHBondContact CG-OD1 3.45Å; K359-N425 PolarHBondContact NZ-OD1 3.02Å
360	D	94.8	Very high	95	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	25%	0.246	C	C	.	.			trans	-104.3	81.3	175.1	-170.4	5.3	0	0	0	111.5	I356 E362 N363 K364 F365 F421	I356-D360 PolarHBondContact O-N 2.89Å; D360-E362 PolarHBondContact O-N 3.21Å; D360-E362 PolarHBondContact OD1-N 2.9Å; D360-N363 WeakPolarHBondContact OD1-CA 3.43Å; D360-N363 PolarHBondContact OD1-N 2.88Å; D360-N363 WeakPolarHBondContact OD2-CA 3.47Å; D360-K364 PolarHBondContact OD1-N 3.49Å; D360-K364 PolarHBondContact OD2-N 2.98Å; D360-F365 HydrophobicContact CB-CD2 3.92Å; D360-F365 PolarHBondContact OD2-N 3.36Å; D360-F421 HydrophobicContact CB-CE1 4.45Å; D360-F421 HydrophobicContact CB-CE2 4.39Å; D360-F421 HydrophobicContact CB-CZ 3.87Å
361	K	91	Very high	94.9	Very high	179 Å²	179	54.8 Å²	54.8	78%	0.778	26%	0.255	S	S	*	.	S	Bend	trans	-76.4	-7.7	176.6	-62.3	178.1	-175.2	172.7	0	113.3	E358	E358-K361 WeakPolarHBondContact O-CE 3.5Å
362	E	91.2	Very high	95	Very high	129 Å²	129	52.9 Å²	52.9	60%	0.603	25%	0.245	S	C	*	.	S	Bend	trans	-117.6	0.1	-170.1	-60.4	-173.1	161.1	0	0	113.4	D360 K364	D360-E362 PolarHBondContact O-N 3.21Å; D360-E362 PolarHBondContact OD1-N 2.9Å; E362-K364 HydrophobicContact CB-CD 4.02Å; E362-K364 HydrophobicContact CB-CG 4.05Å; E362-K364 WeakPolarHBondContact OE2-CE 3.27Å; E362-K364 IonicContact OE2-NZ 3.25Å; E362-K364 PolarHBondContact OE2-NZ 2.85Å
363	N	91.2	Very high	95	Very high	28 Å²	28	58.1 Å²	58.1	15%	0.15	27%	0.265	C	S	.	.	S	Bend	trans	57.4	41	-177.7	-158.2	-1.3	0	0	0	113.6	D360 L369 R465	D360-N363 WeakPolarHBondContact OD1-CA 3.43Å; D360-N363 PolarHBondContact OD1-N 2.88Å; D360-N363 WeakPolarHBondContact OD2-CA 3.47Å; N363-L369 HydrophobicContact CB-CD1 3.9Å; N363-L369 VanDerWaalsContact ND2-CD1 3.34Å; N363-L369 WeakPolarHBondContact ND2-CD1 3.42Å; N363-R465 VanDerWaalsContact CG-NH2 3.31Å; N363-R465 PolarHBondContact ND2-NH2 3Å; N363-R465 PolarHBondContact OD1-NH2 2.8Å
364	K	93.1	Very high	95.1	Very high	101 Å²	101	59 Å²	59	44%	0.439	27%	0.269	S	S	.	.			trans	-92.8	-24.7	-176.8	-74.5	178.2	171	171.8	0	114	D360 E362 H417	D360-K364 PolarHBondContact OD1-N 3.49Å; D360-K364 PolarHBondContact OD2-N 2.98Å; E362-K364 HydrophobicContact CB-CD 4.02Å; E362-K364 HydrophobicContact CB-CG 4.05Å; E362-K364 WeakPolarHBondContact OE2-CE 3.27Å; E362-K364 IonicContact OE2-NZ 3.25Å; E362-K364 PolarHBondContact OE2-NZ 2.85Å; K364-H417 PolarHBondContact O-CE1 2.85Å; K364-H417 VanDerWaalsContact O-CE1 3.28Å
365	F	95.6	Very high	95.1	Very high	48 Å²	48	58.2 Å²	58.2	21%	0.211	27%	0.269	C	S	.	.	S	Bend	trans	-99.3	17.7	-174.6	-58.6	-68.1	0	0	0	113.6	D360 C367 H417 A418 F421	D360-F365 HydrophobicContact CB-CD2 3.92Å; D360-F365 PolarHBondContact OD2-N 3.36Å; F365-C367 PolarHBondContact O-N 3.25Å; F365-C367 PolarHBondContact O-SG 3.35Å; F365-C367 VanDerWaalsContact O-SG 3.38Å; F365-H417 AromaticContact CD1-CE1 3.41Å; F365-H417 VanDerWaalsContact CD1-CE1 3.41Å; F365-H417 WeakPolarHBondContact CD1-CE1 3.25Å; F365-H417 AromaticContact CD1-NE2 3.61Å; F365-H417 AromaticContact CE1-CE1 3.71Å; F365-H417 AromaticContact CE1-NE2 3.53Å; F365-A418 WeakPolarHBondContact O-CA 3.37Å; F365-A418 VanDerWaalsContact O-CB 3.22Å; F365-A418 WeakPolarHBondContact O-CB 3.19Å; F365-F421 HydrophobicContact CB-CB 3.78Å; F365-F421 HydrophobicContact CB-CD1 3.5Å; F365-F421 VanDerWaalsContact CB-CD1 3.5Å; F365-F421 HydrophobicContact CB-CD2 4.01Å; F365-F421 HydrophobicContact CB-CE1 4.02Å; F365-F421 HydrophobicContact CB-CE2 4.46Å; F365-F421 HydrophobicContact CB-CG 3.48Å; F365-F421 VanDerWaalsContact CB-CG 3.48Å; F365-F421 HydrophobicContact CB-CZ 4.47Å; F365-F421 HydrophobicContact CD1-CB 3.56Å; F365-F421 AromaticContact CD1-CD2 3.96Å; F365-F421 HydrophobicContact CD1-CD2 3.96Å; F365-F421 AromaticContact CD1-CG 3.85Å; F365-F421 HydrophobicContact CD1-CG 3.85Å; F365-F421 HydrophobicContact CD2-CB 4.37Å; F365-F421 HydrophobicContact CD2-CD1 4.28Å; F365-F421 AromaticContact CD2-CD2 3.28Å; F365-F421 HydrophobicContact CD2-CD2 3.28Å; F365-F421 HydrophobicContact CD2-CE1 4.42Å; F365-F421 AromaticContact CD2-CE2 3.44Å; F365-F421 HydrophobicContact CD2-CE2 3.44Å; F365-F421 VanDerWaalsContact CD2-CE2 3.44Å; F365-F421 AromaticContact CD2-CG 3.72Å; F365-F421 HydrophobicContact CD2-CG 3.72Å; F365-F421 HydrophobicContact CD2-CZ 4.03Å; F365-F421 HydrophobicContact CE1-CB 4.25Å; F365-F421 HydrophobicContact CE1-CD2 4.28Å; F365-F421 AromaticContact CE2-CD2 3.63Å; F365-F421 HydrophobicContact CE2-CD2 3.63Å; F365-F421 AromaticContact CE2-CE2 3.84Å; F365-F421 HydrophobicContact CE2-CE2 3.84Å; F365-F421 HydrophobicContact CE2-CG 4.42Å; F365-F421 HydrophobicContact CG-CB 3.63Å; F365-F421 AromaticContact CG-CD1 3.93Å; F365-F421 HydrophobicContact CG-CD1 3.93Å; F365-F421 AromaticContact CG-CD2 3.45Å; F365-F421 HydrophobicContact CG-CD2 3.45Å; F365-F421 VanDerWaalsContact CG-CD2 3.45Å; F365-F421 HydrophobicContact CG-CE1 4.45Å; F365-F421 HydrophobicContact CG-CE2 4.03Å; F365-F421 AromaticContact CG-CG 3.38Å; F365-F421 HydrophobicContact CG-CG 3.38Å; F365-F421 HydrophobicContact CG-CZ 4.49Å; F365-F421 HydrophobicContact CZ-CD2 4.12Å
366	L	96.8	Very high	95.2	Very high	11 Å²	11	55.7 Å²	55.7	6%	0.058	26%	0.258	C	S	.	.			trans	57.5	21.9	161.2	-35.6	175.8	0	0	0	115.3	Q414 A418 R465 V466 F630	L366-Q414 HydrophobicContact CD1-CB 3.6Å; L366-Q414 HydrophobicContact CD1-CG 3.66Å; L366-A418 HydrophobicContact CB-CB 4.21Å; L366-R465 CarbonylContact O-C 3.57Å; L366-R465 VanDerWaalsContact O-CA 3.22Å; L366-R465 WeakPolarHBondContact O-CA 3.28Å; L366-R465 VanDerWaalsContact O-CD 3.31Å; L366-R465 WeakPolarHBondContact O-CD 3.49Å; L366-V466 PolarHBondContact O-N 2.95Å; L366-F630 HydrophobicContact CD1-CD1 4.15Å; L366-F630 HydrophobicContact CD1-CE1 3.96Å
367	C	97.3	Very high	95.1	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.007	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-86.4	146.8	170.6	-62.2	0	0	0	0	109.4	I356 F365 L369 F469	I356-C367 HydrophobicContact CG2-CB 3.78Å; F365-C367 PolarHBondContact O-N 3.25Å; F365-C367 PolarHBondContact O-SG 3.35Å; F365-C367 VanDerWaalsContact O-SG 3.38Å; C367-L369 PolarHBondContact O-N 3.43Å; C367-F469 HydrophobicContact CB-CE2 4.19Å; C367-F469 HydrophobicContact CB-CZ 3.73Å
368	V	95.8	Very high	95.1	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.042	27%	0.269	C	S	.	.			trans	-60.1	128.3	178	-66.6	0	0	0	0	111.9	L353 M370 F384 L387 R465 V466 A467 F469	L353-V368 HydrophobicContact CD2-CG2 4.49Å; V368-M370 PolarHBondContact O-N 2.93Å; V368-F384 HydrophobicContact CB-CD1 4.04Å; V368-F384 HydrophobicContact CG2-CD1 3.72Å; V368-F384 HydrophobicContact CG2-CE1 3.71Å; V368-L387 HydrophobicContact CG1-CD1 3.69Å; V368-R465 HydrophobicContact CG1-CB 3.91Å; V368-V466 PolarHBondContact N-O 3.44Å; V368-A467 HydrophobicContact CG1-CB 3.73Å; V368-A467 HydrophobicContact CG2-CB 4.2Å; V368-F469 HydrophobicContact CG2-CD2 4.25Å; V368-F469 HydrophobicContact CG2-CE2 3.99Å
369	L	91.9	Very high	95.2	Very high	37 Å²	37	52.4 Å²	52.4	19%	0.194	25%	0.246	C	C	.	.			trans	-81.5	113.2	177.6	-68.3	-168	0	0	0	111.3	N363 C367 S371 F384 E385	N363-L369 HydrophobicContact CB-CD1 3.9Å; N363-L369 VanDerWaalsContact ND2-CD1 3.34Å; N363-L369 WeakPolarHBondContact ND2-CD1 3.42Å; C367-L369 PolarHBondContact O-N 3.43Å; L369-S371 PolarHBondContact O-N 3.35Å; L369-S371 VanDerWaalsContact O-N 3.12Å; L369-F384 WeakPolarHBondContact O-CA 3Å; L369-E385 PolarHBondContact O-N 3.37Å
370	M	96.3	Very high	95.3	Very high	9 Å²	9	47.8 Å²	47.8	4%	0.044	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	110.4	164.1	-175.4	-177.4	72.1	0	0	109.2	I350 L353 K354 K357 V368 D372 W373 I382 A383 F384	I350-M370 HydrophobicContact CG1-SD 4.33Å; I350-M370 HydrophobicContact CG2-SD 4.43Å; L353-M370 HydrophobicContact CB-CB 4.02Å; L353-M370 HydrophobicContact CB-CE 4.38Å; L353-M370 HydrophobicContact CB-SD 4.01Å; L353-M370 HydrophobicContact CD1-CB 4.19Å; L353-M370 HydrophobicContact CD1-CG 4.44Å; L353-M370 HydrophobicContact CD1-SD 4.09Å; L353-M370 HydrophobicContact CG-CB 4.48Å; K354-M370 HydrophobicContact CG-CE 3.7Å; K357-M370 WeakPolarHBondContact CD-O 3.32Å; K357-M370 PolarHBondContact NZ-O 2.93Å; V368-M370 PolarHBondContact O-N 2.93Å; M370-D372 WeakPolarHBondContact CG-O 3.43Å; M370-W373 HydrophobicContact SD-CB 4Å; M370-W373 HydrophobicContact SD-CG 4.34Å; M370-I382 HydrophobicContact CG-CG2 3.64Å; M370-I382 HydrophobicContact SD-CG2 3.7Å; M370-A383 CarbonylContact C-O 3.35Å; M370-A383 VanDerWaalsContact CA-O 3.32Å; M370-A383 WeakPolarHBondContact CA-O 3.41Å; M370-F384 HydrophobicContact CB-CD1 4.4Å; M370-F384 HydrophobicContact CB-CE1 4.26Å
371	S	95	Very high	95.5	Very high	33 Å²	33	47.4 Å²	47.4	23%	0.231	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-39.2	178.4	62.3	0	0	0	0	111.4	L369 A383	L369-S371 PolarHBondContact O-N 3.35Å; L369-S371 VanDerWaalsContact O-N 3.12Å; S371-A383 PolarHBondContact N-O 3.14Å; S371-A383 WeakPolarHBondContact OG-CB 3.34Å; S371-A383 PolarHBondContact OG-O 3.19Å
372	D	96.7	Very high	95.8	Very high	42 Å²	42	38.9 Å²	38.9	23%	0.225	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	165.3	-176.8	-138.5	-40.9	0	0	0	112.1	R303 Y304 M370 A383	R303-D372 IonicContact CZ-OD2 3.62Å; R303-D372 IonicContact NH1-OD2 3.74Å; R303-D372 PolarHBondContact NH1-OD2 3.37Å; R303-D372 IonicContact NH2-OD2 2.72Å; R303-D372 PolarHBondContact NH2-OD2 2.89Å; Y304-D372 VanDerWaalsContact OH-CB 3.25Å; Y304-D372 WeakPolarHBondContact OH-CB 3.45Å; Y304-D372 PolarHBondContact OH-OD2 3.26Å; M370-D372 WeakPolarHBondContact CG-O 3.43Å; D372-A383 HydrophobicContact CB-CB 4.05Å; D372-A383 PolarHBondContact N-O 3.14Å; D372-A383 PolarHBondContact O-N 3.37Å
373	W	97.9	Very high	96.1	Very high	113 Å²	113	32.8 Å²	32.8	43%	0.428	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	148	167.6	73.7	-83.4	0	0	0	111.2	I350 M370 M380 C381	I350-W373 HydrophobicContact CD1-CB 4.1Å; I350-W373 HydrophobicContact CD1-CD2 4.03Å; I350-W373 HydrophobicContact CD1-CE3 3.82Å; I350-W373 HydrophobicContact CD1-CG 4.15Å; I350-W373 HydrophobicContact CG1-CB 4.25Å; I350-W373 HydrophobicContact CG1-CG 4.33Å; I350-W373 HydrophobicContact CG2-CD2 3.91Å; I350-W373 HydrophobicContact CG2-CG 3.89Å; M370-W373 HydrophobicContact SD-CB 4Å; M370-W373 HydrophobicContact SD-CG 4.34Å; W373-M380 HydrophobicContact CE3-CE 3.88Å; W373-M380 HydrophobicContact CZ3-CE 3.87Å; W373-C381 CarbonylContact C-O 3.54Å; W373-C381 VanDerWaalsContact CA-O 3.26Å; W373-C381 WeakPolarHBondContact CA-O 3.45Å
374	F	97.9	Very high	96.4	Very high	21 Å²	21	32.5 Å²	32.5	9%	0.092	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	168	179.3	53.5	-89.6	0	0	0	112.3	L300 Q301 Y304 L333 F376 C381	L300-F374 HydrophobicContact CB-CE2 4.32Å; L300-F374 HydrophobicContact CB-CZ 4.26Å; L300-F374 HydrophobicContact CD2-CE2 4.22Å; L300-F374 HydrophobicContact CD2-CZ 4.47Å; Q301-F374 HydrophobicContact CG-CD1 4.22Å; Q301-F374 HydrophobicContact CG-CD2 3.55Å; Q301-F374 HydrophobicContact CG-CE1 4.26Å; Q301-F374 HydrophobicContact CG-CE2 3.56Å; Q301-F374 HydrophobicContact CG-CG 3.88Å; Q301-F374 HydrophobicContact CG-CZ 3.93Å; Y304-F374 AromaticContact CD2-CE1 3.74Å; Y304-F374 HydrophobicContact CD2-CE1 3.74Å; Y304-F374 AromaticContact CD2-CZ 3.9Å; Y304-F374 HydrophobicContact CD2-CZ 3.9Å; Y304-F374 HydrophobicContact CE2-CD1 4.25Å; Y304-F374 AromaticContact CE2-CE1 3.44Å; Y304-F374 HydrophobicContact CE2-CE1 3.44Å; Y304-F374 VanDerWaalsContact CE2-CE1 3.44Å; Y304-F374 HydrophobicContact CE2-CZ 4.1Å; L333-F374 HydrophobicContact CD1-CE1 4.01Å; L333-F374 HydrophobicContact CD1-CZ 4.02Å; L333-F374 HydrophobicContact CD2-CZ 4.3Å; F374-F376 HydrophobicContact CD2-CB 3.97Å; F374-F376 HydrophobicContact CE2-CB 3.92Å; F374-C381 HydrophobicContact CD1-CB 4.25Å; F374-C381 HydrophobicContact CD2-CB 3.65Å; F374-C381 HydrophobicContact CE1-CB 3.96Å; F374-C381 HydrophobicContact CE2-CB 3.35Å; F374-C381 HydrophobicContact CG-CB 4.11Å; F374-C381 HydrophobicContact CZ-CB 3.53Å; F374-C381 PolarHBondContact N-O 3Å; F374-C381 PolarHBondContact O-N 3.36Å
375	N	97.4	Very high	96.4	Very high	80 Å²	80	30.5 Å²	30.5	43%	0.428	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.1	167.6	-177.6	-13.6	0	0	0	108.6	G378 H379 M380	N375-G378 WeakPolarHBondContact OD1-CA 3.38Å; N375-G378 PolarHBondContact OD1-N 2.66Å; N375-H379 CarbonylContact C-O 3.59Å; N375-H379 WeakPolarHBondContact CA-O 3.38Å; N375-H379 PolarHBondContact OD1-O 2.84Å; N375-M380 HydrophobicContact CB-SD 4.27Å
376	F	96.9	Very high	96.5	Very high	23 Å²	23	30.5 Å²	30.5	10%	0.101	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	105	179.6	-173.9	-101.9	0	0	0	109.3	V284 L292 L300 F374 G378 H379	V284-F376 HydrophobicContact CG1-CE1 3.83Å; V284-F376 HydrophobicContact CG1-CZ 4.48Å; V284-F376 HydrophobicContact CG2-CE1 4.11Å; V284-F376 HydrophobicContact CG2-CZ 3.95Å; L292-F376 HydrophobicContact CD1-CE1 4.36Å; L292-F376 HydrophobicContact CD2-CD1 4.25Å; L292-F376 HydrophobicContact CD2-CE1 4.25Å; L300-F376 HydrophobicContact CB-CE2 4.43Å; L300-F376 HydrophobicContact CD2-CB 4.48Å; L300-F376 HydrophobicContact CD2-CD1 3.81Å; L300-F376 HydrophobicContact CD2-CE1 4.1Å; L300-F376 HydrophobicContact CD2-CG 4.04Å; L300-F376 HydrophobicContact CG-CD1 4.3Å; L300-F376 HydrophobicContact CG-CE1 4.11Å; L300-F376 HydrophobicContact CG-CE2 4.47Å; L300-F376 HydrophobicContact CG-CZ 4.2Å; F374-F376 HydrophobicContact CD2-CB 3.97Å; F374-F376 HydrophobicContact CE2-CB 3.92Å; F376-G378 PolarHBondContact O-N 2.79Å; F376-H379 PolarHBondContact N-O 2.8Å; F376-H379 WeakPolarHBondContact O-CB 3.44Å; F376-H379 PolarHBondContact O-CD2 2.71Å; F376-H379 PolarHBondContact O-N 3.25Å
377	H	94.9	Very high	96.5	Very high	119 Å²	119	31.4 Å²	31.4	55%	0.551	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	18.2	179.8	-57.7	88.2	0	0	0	115.3	V284 N338	V284-H377 HydrophobicContact CG1-CB 4.04Å; N338-H377 PolarHBondContact ND2-O 3.19Å; N338-H377 VanDerWaalsContact ND2-O 3.12Å
378	G	94.5	Very high	96.4	Very high	11 Å²	11	32.3 Å²	32.3	11%	0.113	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.2	-18.4	-175.7	0	0	0	0	0	113.6	N338 R343 N375 F376	N338-G378 VanDerWaalsContact OD1-C 3.28Å; N338-G378 VanDerWaalsContact OD1-CA 3.28Å; N338-G378 WeakPolarHBondContact OD1-CA 3.16Å; N338-G378 PolarHBondContact OD1-O 3.16Å; R343-G378 WeakPolarHBondContact CD-O 3.36Å; N375-G378 WeakPolarHBondContact OD1-CA 3.38Å; N375-G378 PolarHBondContact OD1-N 2.66Å; F376-G378 PolarHBondContact O-N 2.79Å
379	H	97.5	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.8	170.2	-60.8	-75.7	0	0	0	110.6	D286 G290 L292 I335 I336 N375 F376	D286-H379 IonicContact OD1-NE2 2.65Å; D286-H379 PolarHBondContact OD1-NE2 2.74Å; D286-H379 IonicContact OD2-CE1 2.66Å; D286-H379 IonicContact OD2-NE2 2.79Å; G290-H379 PolarHBondContact O-CE1 3.13Å; L292-H379 PolarHBondContact N-CE1 2.96Å; L292-H379 VanDerWaalsContact N-CE1 3.26Å; I335-H379 HydrophobicContact CG2-CB 4.17Å; I336-H379 WeakPolarHBondContact O-CA 3.47Å; I336-H379 WeakPolarHBondContact O-CB 3.49Å; I336-H379 PolarHBondContact O-ND1 3.39Å; N375-H379 CarbonylContact C-O 3.59Å; N375-H379 WeakPolarHBondContact CA-O 3.38Å; N375-H379 PolarHBondContact OD1-O 2.84Å; F376-H379 PolarHBondContact N-O 2.8Å; F376-H379 WeakPolarHBondContact O-CB 3.44Å; F376-H379 PolarHBondContact O-CD2 2.71Å; F376-H379 PolarHBondContact O-N 3.25Å
380	M	97.8	Very high	96.7	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.02	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.7	165	-62.2	-60.2	-58.8	0	0	107.9	I336 R343 A346 R347 I350 W373 N375	I336-M380 HydrophobicContact CB-CB 4.16Å; I336-M380 VanDerWaalsContact CB-O 3.24Å; I336-M380 WeakPolarHBondContact CB-O 3.44Å; I336-M380 HydrophobicContact CG1-CB 4.35Å; I336-M380 VanDerWaalsContact CG1-O 3.31Å; I336-M380 WeakPolarHBondContact CG1-O 3.19Å; I336-M380 PolarHBondContact N-O 2.89Å; R343-M380 HydrophobicContact CB-CG 4.02Å; R343-M380 HydrophobicContact CG-CG 4.3Å; A346-M380 HydrophobicContact CB-CB 3.87Å; A346-M380 HydrophobicContact CB-CG 4.19Å; R347-M380 HydrophobicContact CG-CE 4.15Å; I350-M380 HydrophobicContact CD1-CE 3.51Å; W373-M380 HydrophobicContact CE3-CE 3.88Å; W373-M380 HydrophobicContact CZ3-CE 3.87Å; N375-M380 HydrophobicContact CB-SD 4.27Å
381	C	98.1	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130	178.7	-64.3	0	0	0	0	109.6	L333 K334 W373 F374	L333-C381 HydrophobicContact CD1-CB 4.22Å; K334-C381 WeakPolarHBondContact O-CA 3.41Å; W373-C381 CarbonylContact C-O 3.54Å; W373-C381 VanDerWaalsContact CA-O 3.26Å; W373-C381 WeakPolarHBondContact CA-O 3.45Å; F374-C381 HydrophobicContact CD1-CB 4.25Å; F374-C381 HydrophobicContact CD2-CB 3.65Å; F374-C381 HydrophobicContact CE1-CB 3.96Å; F374-C381 HydrophobicContact CE2-CB 3.35Å; F374-C381 HydrophobicContact CG-CB 4.11Å; F374-C381 HydrophobicContact CZ-CB 3.53Å; F374-C381 PolarHBondContact N-O 3Å; F374-C381 PolarHBondContact O-N 3.36Å
382	I	98.1	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.2	-179.8	-47.3	175.8	0	0	0	108.3	L333 K334 E349 I350 L353 M370 F384	L333-I382 WeakPolarHBondContact CA-O 3.36Å; K334-I382 HydrophobicContact CB-CB 4.32Å; K334-I382 HydrophobicContact CD-CD1 4.49Å; K334-I382 PolarHBondContact N-O 3.09Å; K334-I382 PolarHBondContact O-N 2.89Å; E349-I382 HydrophobicContact CG-CD1 4.28Å; I350-I382 HydrophobicContact CD1-CD1 4.12Å; I350-I382 HydrophobicContact CD1-CG1 3.97Å; I350-I382 HydrophobicContact CG1-CD1 3.67Å; I350-I382 HydrophobicContact CG1-CG1 3.83Å; L353-I382 HydrophobicContact CD1-CG2 4.03Å; M370-I382 HydrophobicContact CG-CG2 3.64Å; M370-I382 HydrophobicContact SD-CG2 3.7Å; I382-F384 HydrophobicContact CB-CE2 3.91Å; I382-F384 HydrophobicContact CB-CZ 4.21Å; I382-F384 HydrophobicContact CG2-CD2 4.36Å; I382-F384 HydrophobicContact CG2-CE1 4.16Å; I382-F384 HydrophobicContact CG2-CE2 3.55Å; I382-F384 HydrophobicContact CG2-CZ 3.44Å; I382-F384 VanDerWaalsContact CG2-CZ 3.44Å
383	A	97.8	Very high	96.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.2	-179.6	0	0	0	0	0	110.8	Y304 A332 L333 M370 S371 D372	Y304-A383 HydrophobicContact CE1-CB 4.46Å; A332-A383 WeakPolarHBondContact O-CA 3.21Å; L333-A383 HydrophobicContact CD1-CB 3.87Å; M370-A383 CarbonylContact C-O 3.35Å; M370-A383 VanDerWaalsContact CA-O 3.32Å; M370-A383 WeakPolarHBondContact CA-O 3.41Å; S371-A383 PolarHBondContact N-O 3.14Å; S371-A383 WeakPolarHBondContact OG-CB 3.34Å; S371-A383 PolarHBondContact OG-O 3.19Å; D372-A383 HydrophobicContact CB-CB 4.05Å; D372-A383 PolarHBondContact N-O 3.14Å; D372-A383 PolarHBondContact O-N 3.37Å
384	F	97.1	Very high	96.9	Very high	22 Å²	22	31 Å²	31	10%	0.096	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	164.2	178.7	-57.5	-89.8	0	0	0	110.7	V331 A332 K334 L353 V368 L369 M370 I382	V331-F384 VanDerWaalsContact CA-O 3.25Å; V331-F384 WeakPolarHBondContact CA-O 3.35Å; V331-F384 WeakPolarHBondContact CB-O 3.35Å; A332-F384 PolarHBondContact N-O 3.48Å; A332-F384 VanDerWaalsContact N-O 3.11Å; A332-F384 PolarHBondContact O-N 2.94Å; K334-F384 HydrophobicContact CB-CE2 4.11Å; K334-F384 HydrophobicContact CD-CE2 4.41Å; L353-F384 HydrophobicContact CD1-CE1 3.66Å; L353-F384 HydrophobicContact CD1-CZ 3.69Å; L353-F384 HydrophobicContact CD2-CE1 3.92Å; L353-F384 HydrophobicContact CG-CE1 4.46Å; V368-F384 HydrophobicContact CB-CD1 4.04Å; V368-F384 HydrophobicContact CG2-CD1 3.72Å; V368-F384 HydrophobicContact CG2-CE1 3.71Å; L369-F384 WeakPolarHBondContact O-CA 3Å; M370-F384 HydrophobicContact CB-CD1 4.4Å; M370-F384 HydrophobicContact CB-CE1 4.26Å; I382-F384 HydrophobicContact CB-CE2 3.91Å; I382-F384 HydrophobicContact CB-CZ 4.21Å; I382-F384 HydrophobicContact CG2-CD2 4.36Å; I382-F384 HydrophobicContact CG2-CE1 4.16Å; I382-F384 HydrophobicContact CG2-CE2 3.55Å; I382-F384 HydrophobicContact CG2-CZ 3.44Å; I382-F384 VanDerWaalsContact CG2-CZ 3.44Å
385	E	94.2	Very high	96.9	Very high	59 Å²	59	30.1 Å²	30.1	28%	0.276	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	138.7	161.8	58.5	-167.4	-173.6	0	0	110.4	L369 L387 R465	L369-E385 PolarHBondContact O-N 3.37Å; E385-L387 HydrophobicContact CG-CD2 4.28Å; E385-L387 HydrophobicContact CG-CG 4.4Å; E385-R465 IonicContact OE1-NE 3.13Å; E385-R465 PolarHBondContact OE1-NE 3.29Å
386	L	96.1	Very high	96.8	Very high	49 Å²	49	31.3 Å²	31.3	26%	0.257	15%	0.154	S	C	.	.			trans	-70.9	138.7	171.9	-174.9	66.8	0	0	0	109.3	L310 E320 Q330 A332	L310-L386 HydrophobicContact CD1-CD1 3.68Å; L310-L386 HydrophobicContact CD2-CD1 4.25Å; E320-L386 HydrophobicContact CG-CD1 4.24Å; E320-L386 HydrophobicContact CG-CD2 3.98Å; Q330-L386 HydrophobicContact CB-CB 3.94Å; Q330-L386 HydrophobicContact CB-CD2 3.66Å; Q330-L386 HydrophobicContact CB-CG 4.43Å; Q330-L386 HydrophobicContact CG-CD2 4.23Å; A332-L386 HydrophobicContact CB-CD1 4.31Å
387	L	96.6	Very high	96.8	Very high	29 Å²	29	33.7 Å²	33.7	15%	0.152	17%	0.165	C	C	.	.			trans	-129.2	169.5	-179.5	-64.2	170.7	0	0	0	109.8	V368 E385 L438 V440 R465	V368-L387 HydrophobicContact CG1-CD1 3.69Å; E385-L387 HydrophobicContact CG-CD2 4.28Å; E385-L387 HydrophobicContact CG-CG 4.4Å; L387-L438 HydrophobicContact CB-CB 4.28Å; L387-L438 HydrophobicContact CB-CD2 4.09Å; L387-L438 HydrophobicContact CD1-CB 4.11Å; L387-L438 HydrophobicContact CD1-CD2 4.13Å; L387-V440 HydrophobicContact CD2-CG2 4.46Å; L387-R465 HydrophobicContact CD1-CB 3.74Å; L387-R465 HydrophobicContact CD1-CG 3.89Å; L387-R465 HydrophobicContact CD2-CG 3.98Å
388	G	95.9	Very high	96.8	Very high	21 Å²	21	28.3 Å²	28.3	22%	0.216	14%	0.14	C	C	.	.			trans	-73.1	-169.7	172.3	0	0	0	0	0	113.6	F439	G388-F439 WeakPolarHBondContact CA-O 3.31Å; G388-F439 PolarHBondContact N-O 2.7Å
389	K	95.8	Very high	96.9	Very high	65 Å²	65	34.1 Å²	34.1	28%	0.283	17%	0.169	S	C	.	.			trans	-56.6	150.1	177.4	-68	171.8	177.5	-73.1	0	112.2	E393 E397 F439 S442	K389-E393 HydrophobicContact CB-CB 4.34Å; K389-E397 WeakPolarHBondContact CE-OE2 3.46Å; K389-E397 VanDerWaalsContact NZ-CD 3.27Å; K389-E397 IonicContact NZ-OE1 2.7Å; K389-E397 PolarHBondContact NZ-OE1 2.69Å; K389-E397 IonicContact NZ-OE2 3.86Å; K389-E397 PolarHBondContact NZ-OE2 2.79Å; K389-E397 VanDerWaalsContact NZ-OE2 3.13Å; K389-F439 PolarHBondContact O-N 3.34Å; K389-S442 PolarHBondContact N-OG 3.34Å
390	N	97.5	Very high	96.8	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.118	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-68.2	155.5	162.9	59.8	71.8	0	0	0	111.4	F392 E393 F394 E435 I437 L438	N390-F392 PolarHBondContact O-N 3.49Å; N390-F392 WeakPolarHBondContact OD1-CB 3.4Å; N390-F392 PolarHBondContact OD1-N 2.65Å; N390-E393 VanDerWaalsContact ND2-CD 3.25Å; N390-E393 PolarHBondContact ND2-OE1 2.89Å; N390-E393 PolarHBondContact O-N 2.75Å; N390-E393 WeakPolarHBondContact OD1-CB 3.36Å; N390-E393 WeakPolarHBondContact OD1-CG 3.44Å; N390-E393 PolarHBondContact OD1-N 3.08Å; N390-F394 PolarHBondContact O-N 2.93Å; N390-F394 VanDerWaalsContact O-N 3.09Å; N390-E435 VanDerWaalsContact CB-O 3.28Å; N390-E435 WeakPolarHBondContact CB-O 3.43Å; N390-I437 CarbonylContact C-O 3.51Å; N390-I437 VanDerWaalsContact CA-O 3.22Å; N390-I437 WeakPolarHBondContact CA-O 3.15Å; N390-I437 WeakPolarHBondContact CB-O 3.44Å; N390-L438 HydrophobicContact CB-CD1 3.98Å; N390-L438 HydrophobicContact CB-CG 4.15Å
391	T	98.4	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-28.7	-175.5	58.5	0	0	0	0	112	L395 Y403 M411 P434 I437 F439 Y515	T391-L395 WeakPolarHBondContact O-CB 3.26Å; T391-L395 PolarHBondContact O-N 2.89Å; T391-Y403 PolarHBondContact O-OH 3.49Å; T391-M411 HydrophobicContact CG2-SD 4.1Å; T391-P434 PolarHBondContact N-O 3.16Å; T391-P434 WeakPolarHBondContact OG1-CA 3.31Å; T391-P434 PolarHBondContact OG1-O 2.72Å; T391-I437 HydrophobicContact CG2-CB 4.34Å; T391-I437 HydrophobicContact CG2-CG2 3.92Å; T391-I437 PolarHBondContact N-O 3.41Å; T391-F439 HydrophobicContact CG2-CD2 4.32Å; T391-F439 HydrophobicContact CG2-CE1 4.33Å; T391-F439 HydrophobicContact CG2-CE2 3.76Å; T391-F439 HydrophobicContact CG2-CZ 3.76Å; T391-Y515 WeakPolarHBondContact CB-OH 3.2Å; T391-Y515 HydrophobicContact CG2-CE1 4.31Å; T391-Y515 WeakPolarHBondContact CG2-OH 3.31Å; T391-Y515 VanDerWaalsContact OG1-CE1 3.26Å; T391-Y515 WeakPolarHBondContact OG1-CE1 3.45Å; T391-Y515 PolarHBondContact OG1-OH 2.91Å
392	F	97.8	Very high	96.7	Very high	56 Å²	56	42.4 Å²	42.4	25%	0.246	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-47.9	171.7	-172	-105.1	0	0	0	112.8	N390 L395 K396 F400 P434 E435	N390-F392 PolarHBondContact O-N 3.49Å; N390-F392 WeakPolarHBondContact OD1-CB 3.4Å; N390-F392 PolarHBondContact OD1-N 2.65Å; F392-L395 PolarHBondContact O-N 3.11Å; F392-K396 HydrophobicContact CE1-CD 4.3Å; F392-K396 WeakPolarHBondContact O-CB 3.31Å; F392-K396 PolarHBondContact O-N 2.88Å; F392-F400 HydrophobicContact CE2-CE1 4.15Å; F392-F400 HydrophobicContact CZ-CE1 4.22Å; F392-F400 HydrophobicContact CZ-CZ 4.48Å; F392-P434 HydrophobicContact CB-CB 3.91Å; F392-P434 PolarHBondContact N-O 3.22Å; F392-E435 HydrophobicContact CB-CG 3.88Å; F392-E435 HydrophobicContact CD1-CG 4.17Å; F392-E435 HydrophobicContact CG-CG 4.04Å
393	E	96.9	Very high	96.6	Very high	65 Å²	65	43 Å²	43	30%	0.304	21%	0.21	S	C	.	.	H	α-helix	trans	-64.3	-41.5	179.1	-84.8	173.5	-141.6	0	0	112.3	K389 N390 K396 E397	K389-E393 HydrophobicContact CB-CB 4.34Å; N390-E393 VanDerWaalsContact ND2-CD 3.25Å; N390-E393 PolarHBondContact ND2-OE1 2.89Å; N390-E393 PolarHBondContact O-N 2.75Å; N390-E393 WeakPolarHBondContact OD1-CB 3.36Å; N390-E393 WeakPolarHBondContact OD1-CG 3.44Å; N390-E393 PolarHBondContact OD1-N 3.08Å; E393-K396 PolarHBondContact O-N 3.24Å; E393-E397 WeakPolarHBondContact O-CB 3.4Å; E393-E397 WeakPolarHBondContact O-CG 3.43Å; E393-E397 PolarHBondContact O-N 3.12Å
394	F	97.9	Very high	96.6	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.022	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-48.6	174.9	-171.8	-74.8	0	0	0	111.2	N390 K396 E397 N398 Y403 F439 F444 K457 V459	N390-F394 PolarHBondContact O-N 2.93Å; N390-F394 VanDerWaalsContact O-N 3.09Å; F394-K396 VanDerWaalsContact C-N 3.33Å; F394-K396 PolarHBondContact O-N 2.88Å; F394-E397 CarbonylContact O-C 3.57Å; F394-E397 PolarHBondContact O-N 3.37Å; F394-E397 VanDerWaalsContact O-N 3.16Å; F394-N398 WeakPolarHBondContact O-CB 3.37Å; F394-N398 PolarHBondContact O-N 2.82Å; F394-Y403 WeakPolarHBondContact CB-OH 3.41Å; F394-Y403 AromaticContact CD1-CE1 3.67Å; F394-Y403 HydrophobicContact CD1-CE1 3.67Å; F394-Y403 AromaticContact CD1-CZ 3.91Å; F394-Y403 WeakPolarHBondContact CD1-OH 3.28Å; F394-Y403 AromaticContact CE1-CE1 3.99Å; F394-Y403 HydrophobicContact CE1-CE1 3.99Å; F394-F439 HydrophobicContact CB-CD2 4.4Å; F394-F439 HydrophobicContact CB-CE2 3.84Å; F394-F439 HydrophobicContact CD2-CD2 4.48Å; F394-F439 HydrophobicContact CD2-CE2 4.18Å; F394-F439 AromaticContact CG-CE2 3.92Å; F394-F439 HydrophobicContact CG-CE2 3.92Å; F394-F444 HydrophobicContact CE2-CB 3.88Å; F394-F444 HydrophobicContact CE2-CD1 4.44Å; F394-F444 HydrophobicContact CZ-CB 3.81Å; F394-K457 HydrophobicContact CE1-CB 4.39Å; F394-K457 HydrophobicContact CZ-CB 4.18Å; F394-V459 HydrophobicContact CD2-CB 4.49Å; F394-V459 HydrophobicContact CD2-CG2 4.43Å; F394-V459 HydrophobicContact CE1-CB 4.19Å; F394-V459 HydrophobicContact CE2-CB 3.73Å; F394-V459 HydrophobicContact CE2-CG2 3.88Å; F394-V459 HydrophobicContact CZ-CB 3.58Å; F394-V459 HydrophobicContact CZ-CG2 4.26Å
395	L	97.3	Very high	96.7	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-44.8	177.1	175.5	59.5	0	0	0	111.9	T391 F392 N398 N399 F400 Q401 Y403 E514	T391-L395 WeakPolarHBondContact O-CB 3.26Å; T391-L395 PolarHBondContact O-N 2.89Å; F392-L395 PolarHBondContact O-N 3.11Å; L395-N398 CarbonylContact O-C 3.52Å; L395-N398 WeakPolarHBondContact O-CA 3.43Å; L395-N398 WeakPolarHBondContact O-CB 3.4Å; L395-N398 PolarHBondContact O-N 3.39Å; L395-N398 VanDerWaalsContact O-N 3.16Å; L395-N399 PolarHBondContact O-N 2.88Å; L395-F400 HydrophobicContact CD2-CD1 4.44Å; L395-F400 HydrophobicContact CG-CD1 4.1Å; L395-F400 WeakPolarHBondContact O-CA 3.4Å; L395-F400 PolarHBondContact O-N 3.44Å; L395-Q401 WeakPolarHBondContact CD1-O 3.4Å; L395-Y403 HydrophobicContact CB-CE2 4.22Å; L395-E514 HydrophobicContact CD2-CG 4.32Å
396	K	96.6	Very high	96.8	Very high	106 Å²	106	45.6 Å²	45.6	46%	0.461	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-40	175.1	171.8	-172.7	159.8	-138.7	0	112.5	F392 E393 F394 N398 N399 F400	F392-K396 HydrophobicContact CE1-CD 4.3Å; F392-K396 WeakPolarHBondContact O-CB 3.31Å; F392-K396 PolarHBondContact O-N 2.88Å; E393-K396 PolarHBondContact O-N 3.24Å; F394-K396 VanDerWaalsContact C-N 3.33Å; F394-K396 PolarHBondContact O-N 2.88Å; K396-N398 VanDerWaalsContact C-N 3.26Å; K396-N398 PolarHBondContact O-N 3.14Å; K396-N399 PolarHBondContact O-N 2.94Å; K396-N399 VanDerWaalsContact O-N 3.12Å; K396-F400 HydrophobicContact CB-CE1 4.07Å; K396-F400 HydrophobicContact CB-CE2 4.31Å; K396-F400 HydrophobicContact CB-CZ 3.79Å; K396-F400 HydrophobicContact CG-CE2 4.18Å; K396-F400 HydrophobicContact CG-CZ 3.88Å
397	E	95.6	Very high	97	Very high	72 Å²	72	44.8 Å²	44.8	34%	0.336	23%	0.229	S	C	.	.	H	α-helix	trans	-74.2	-15.9	174.6	-76.4	177	-160.8	0	0	113.3	K389 E393 F394 N399 K457	K389-E397 WeakPolarHBondContact CE-OE2 3.46Å; K389-E397 VanDerWaalsContact NZ-CD 3.27Å; K389-E397 IonicContact NZ-OE1 2.7Å; K389-E397 PolarHBondContact NZ-OE1 2.69Å; K389-E397 IonicContact NZ-OE2 3.86Å; K389-E397 PolarHBondContact NZ-OE2 2.79Å; K389-E397 VanDerWaalsContact NZ-OE2 3.13Å; E393-E397 WeakPolarHBondContact O-CB 3.4Å; E393-E397 WeakPolarHBondContact O-CG 3.43Å; E393-E397 PolarHBondContact O-N 3.12Å; F394-E397 CarbonylContact O-C 3.57Å; F394-E397 PolarHBondContact O-N 3.37Å; F394-E397 VanDerWaalsContact O-N 3.16Å; E397-N399 VanDerWaalsContact C-N 3.26Å; E397-K457 PolarHBondContact O-NZ 3.22Å
398	N	95.6	Very high	97.1	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	20.9	165.5	-161.1	29.8	0	0	0	112.3	F394 L395 K396 F400 Q401 K457	F394-N398 WeakPolarHBondContact O-CB 3.37Å; F394-N398 PolarHBondContact O-N 2.82Å; L395-N398 CarbonylContact O-C 3.52Å; L395-N398 WeakPolarHBondContact O-CA 3.43Å; L395-N398 WeakPolarHBondContact O-CB 3.4Å; L395-N398 PolarHBondContact O-N 3.39Å; L395-N398 VanDerWaalsContact O-N 3.16Å; K396-N398 VanDerWaalsContact C-N 3.26Å; K396-N398 PolarHBondContact O-N 3.14Å; N398-F400 PolarHBondContact O-N 3.21Å; N398-F400 VanDerWaalsContact O-N 3.14Å; N398-Q401 PolarHBondContact ND2-O 3.24Å; N398-Q401 VanDerWaalsContact O-CB 3.31Å; N398-Q401 WeakPolarHBondContact O-CB 3.2Å; N398-Q401 WeakPolarHBondContact O-CG 3.33Å; N398-Q401 PolarHBondContact O-N 2.96Å; N398-K457 HydrophobicContact CB-CB 4.39Å; N398-K457 WeakPolarHBondContact OD1-CB 3.5Å; N398-K457 PolarHBondContact OD1-N 3.4Å
399	N	95.6	Very high	97.2	Very high	133 Å²	133	42.9 Å²	42.9	71%	0.711	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	31	-178.7	-58.7	-53	0	0	0	114.4	L395 K396 E397 Q401	L395-N399 PolarHBondContact O-N 2.88Å; K396-N399 PolarHBondContact O-N 2.94Å; K396-N399 VanDerWaalsContact O-N 3.12Å; E397-N399 VanDerWaalsContact C-N 3.26Å; N399-Q401 PolarHBondContact O-N 3.19Å
400	F	96.2	Very high	97.3	Very high	97 Å²	97	40.6 Å²	40.6	43%	0.425	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	22.8	-173.4	-57.9	-84.5	0	0	0	114.8	F392 L395 K396 N398 G518	F392-F400 HydrophobicContact CE2-CE1 4.15Å; F392-F400 HydrophobicContact CZ-CE1 4.22Å; F392-F400 HydrophobicContact CZ-CZ 4.48Å; L395-F400 HydrophobicContact CD2-CD1 4.44Å; L395-F400 HydrophobicContact CG-CD1 4.1Å; L395-F400 WeakPolarHBondContact O-CA 3.4Å; L395-F400 PolarHBondContact O-N 3.44Å; K396-F400 HydrophobicContact CB-CE1 4.07Å; K396-F400 HydrophobicContact CB-CE2 4.31Å; K396-F400 HydrophobicContact CB-CZ 3.79Å; K396-F400 HydrophobicContact CG-CE2 4.18Å; K396-F400 HydrophobicContact CG-CZ 3.88Å; N398-F400 PolarHBondContact O-N 3.21Å; N398-F400 VanDerWaalsContact O-N 3.14Å; F400-G518 WeakPolarHBondContact O-CA 3.4Å
401	Q	95.8	Very high	97.4	Very high	60 Å²	60	39.5 Å²	39.5	28%	0.28	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-71.8	128.8	165.3	-64.9	-63.5	-26.8	0	0	109.9	L395 N398 N399 E456	L395-Q401 WeakPolarHBondContact CD1-O 3.4Å; N398-Q401 PolarHBondContact ND2-O 3.24Å; N398-Q401 VanDerWaalsContact O-CB 3.31Å; N398-Q401 WeakPolarHBondContact O-CB 3.2Å; N398-Q401 WeakPolarHBondContact O-CG 3.33Å; N398-Q401 PolarHBondContact O-N 2.96Å; N399-Q401 PolarHBondContact O-N 3.19Å; Q401-E456 HydrophobicContact CB-CG 4.27Å; Q401-E456 WeakPolarHBondContact CB-OE1 3.46Å
402	P	96.9	Very high	97.4	Very high	21 Å²	21	39.5 Å²	39.5	14%	0.136	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-66.8	163.4	-170.9	27.3	-35.8	0	0	0	113.4	Y515 Y516	P402-Y515 WeakPolarHBondContact CB-O 3.35Å; P402-Y516 VanDerWaalsContact CB-O 3.25Å; P402-Y516 WeakPolarHBondContact CB-O 3.34Å
403	Y	97.9	Very high	97.5	Very high	11 Å²	11	38.5 Å²	38.5	4%	0.043	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-72	141.3	172.8	-68.2	-79.6	0	0	0	111.3	T391 F394 L395 M411 F439 Y515	T391-Y403 PolarHBondContact O-OH 3.49Å; F394-Y403 WeakPolarHBondContact CB-OH 3.41Å; F394-Y403 AromaticContact CD1-CE1 3.67Å; F394-Y403 HydrophobicContact CD1-CE1 3.67Å; F394-Y403 AromaticContact CD1-CZ 3.91Å; F394-Y403 WeakPolarHBondContact CD1-OH 3.28Å; F394-Y403 AromaticContact CE1-CE1 3.99Å; F394-Y403 HydrophobicContact CE1-CE1 3.99Å; L395-Y403 HydrophobicContact CB-CE2 4.22Å; Y403-M411 HydrophobicContact CD1-CE 3.94Å; Y403-M411 HydrophobicContact CD2-CE 3.87Å; Y403-M411 HydrophobicContact CE1-CE 4.28Å; Y403-M411 HydrophobicContact CE2-CE 4.21Å; Y403-M411 HydrophobicContact CG-CE 3.71Å; Y403-F439 HydrophobicContact CE1-CE2 4.36Å; Y403-F439 AromaticContact CE1-CZ 3.8Å; Y403-F439 HydrophobicContact CE1-CZ 3.8Å; Y403-F439 AromaticContact CZ-CZ 3.98Å; Y403-Y515 HydrophobicContact CD2-CD1 4.02Å; Y403-Y515 HydrophobicContact CD2-CG 4.03Å; Y403-Y515 AromaticContact CE2-CD1 3.88Å; Y403-Y515 HydrophobicContact CE2-CD1 3.88Å; Y403-Y515 HydrophobicContact CE2-CE1 4.35Å; Y403-Y515 HydrophobicContact CE2-CG 4.33Å; Y403-Y515 PolarHBondContact N-O 2.87Å
404	P	96.8	Very high	97.5	Very high	58 Å²	58	35.7 Å²	35.7	38%	0.377	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-53.9	146.3	169.4	-26.5	35	0	0	0	112	P406 H407 V408	P404-P406 VanDerWaalsContact C-CD 3.48Å; P404-H407 WeakPolarHBondContact O-CA 3.4Å; P404-H407 WeakPolarHBondContact O-CB 3.4Å; P404-H407 PolarHBondContact O-N 2.76Å; P404-V408 PolarHBondContact O-N 3.37Å
405	L	98.1	Very high	97.6	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-55.2	-39.1	-175.6	-176.6	63.3	0	0	0	114.5	H407 V408 R409 Y516 E589 H590 L593 F619	L405-H407 VanDerWaalsContact C-N 3.27Å; L405-H407 PolarHBondContact O-N 3.41Å; L405-V408 HydrophobicContact CD1-CB 4.37Å; L405-V408 PolarHBondContact O-N 2.93Å; L405-R409 WeakPolarHBondContact O-CB 3.28Å; L405-R409 PolarHBondContact O-N 3.34Å; L405-Y516 HydrophobicContact CD1-CD2 4.29Å; L405-Y516 HydrophobicContact CD1-CE2 4.34Å; L405-E589 HydrophobicContact CD2-CB 3.7Å; L405-H590 WeakPolarHBondContact CD2-CD2 3.44Å; L405-L593 HydrophobicContact CD1-CB 4.3Å; L405-L593 HydrophobicContact CD1-CD2 3.56Å; L405-L593 HydrophobicContact CD1-CG 4.46Å; L405-F619 HydrophobicContact CD1-CE2 3.87Å; L405-F619 HydrophobicContact CD1-CZ 3.85Å; L405-F619 HydrophobicContact CD2-CE2 4.46Å; L405-F619 HydrophobicContact CG-CE2 4.32Å
406	P	98.1	Very high	97.7	Very high	63 Å²	63	35.3 Å²	35.3	41%	0.409	18%	0.177	S	C	.	.	H	α-helix	trans	-58.9	-38.4	173.6	-25.7	36.2	0	0	0	112.6	P404 R409 H410	P404-P406 VanDerWaalsContact C-CD 3.48Å; P406-R409 WeakPolarHBondContact O-CB 3.25Å; P406-R409 PolarHBondContact O-N 3.12Å; P406-H410 PolarHBondContact O-N 2.91Å
407	H	98.6	Very high	97.7	Very high	33 Å²	33	31.3 Å²	31.3	15%	0.153	16%	0.16	C	C	.	.	H	α-helix	trans	-68.2	-41.1	177.6	-63.9	-164.7	0	0	0	111.1	P404 L405 R409 M411 S458 V459 T462	P404-H407 WeakPolarHBondContact O-CA 3.4Å; P404-H407 WeakPolarHBondContact O-CB 3.4Å; P404-H407 PolarHBondContact O-N 2.76Å; L405-H407 VanDerWaalsContact C-N 3.27Å; L405-H407 PolarHBondContact O-N 3.41Å; H407-R409 VanDerWaalsContact C-N 3.29Å; H407-R409 PolarHBondContact O-N 2.8Å; H407-M411 HydrophobicContact CB-CE 4.44Å; H407-M411 WeakPolarHBondContact O-CB 3.22Å; H407-M411 WeakPolarHBondContact O-CE 3.49Å; H407-M411 VanDerWaalsContact O-CG 3.32Å; H407-M411 WeakPolarHBondContact O-CG 3.37Å; H407-M411 PolarHBondContact O-N 2.97Å; H407-S458 PolarHBondContact CE1-OG 2.96Å; H407-V459 PolarHBondContact CE1-O 2.87Å; H407-T462 HydrophobicContact CB-CG2 3.64Å; H407-T462 VanDerWaalsContact CG-CG2 3.41Å
408	V	98.8	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-40.8	171.6	-177	0	0	0	0	110.7	P404 L405 A412 L593	P404-V408 PolarHBondContact O-N 3.37Å; L405-V408 HydrophobicContact CD1-CB 4.37Å; L405-V408 PolarHBondContact O-N 2.93Å; V408-A412 WeakPolarHBondContact O-CB 3.34Å; V408-A412 PolarHBondContact O-N 3.45Å; V408-L593 HydrophobicContact CG1-CD1 4.24Å; V408-L593 HydrophobicContact CG1-CD2 4.16Å
409	R	98.8	Very high	98	Very high	10 Å²	10	27.5 Å²	27.5	4%	0.038	14%	0.142	C	C	.	.	H	α-helix	trans	-63.9	-51	179	-168	-177.3	-60.1	154.6	14.3	112.4	L405 P406 H407 A412 Y413 E589 F619 F620 G622 L623	L405-R409 WeakPolarHBondContact O-CB 3.28Å; L405-R409 PolarHBondContact O-N 3.34Å; P406-R409 WeakPolarHBondContact O-CB 3.25Å; P406-R409 PolarHBondContact O-N 3.12Å; H407-R409 VanDerWaalsContact C-N 3.29Å; H407-R409 PolarHBondContact O-N 2.8Å; R409-A412 PolarHBondContact O-N 2.91Å; R409-Y413 PolarHBondContact O-N 2.6Å; R409-E589 IonicContact CZ-OE1 3.29Å; R409-E589 VanDerWaalsContact CZ-OE1 3.29Å; R409-E589 IonicContact CZ-OE2 3.61Å; R409-E589 IonicContact NH1-OE1 2.77Å; R409-E589 PolarHBondContact NH1-OE1 3.45Å; R409-E589 IonicContact NH1-OE2 3.62Å; R409-E589 IonicContact NH2-OE1 3.14Å; R409-E589 PolarHBondContact NH2-OE1 3.16Å; R409-E589 VanDerWaalsContact NH2-OE1 3.14Å; R409-E589 IonicContact NH2-OE2 2.72Å; R409-E589 PolarHBondContact NH2-OE2 2.79Å; R409-F619 HydrophobicContact CB-CE1 3.93Å; R409-F619 HydrophobicContact CB-CE2 4.26Å; R409-F619 HydrophobicContact CB-CZ 3.6Å; R409-F619 WeakPolarHBondContact CD-O 3.41Å; R409-F619 HydrophobicContact CG-CD1 4.26Å; R409-F619 HydrophobicContact CG-CE1 3.85Å; R409-F619 HydrophobicContact CG-CE2 4.15Å; R409-F619 HydrophobicContact CG-CZ 3.78Å; R409-F620 HydrophobicContact CG-CD1 4.19Å; R409-F620 WeakPolarHBondContact O-CE1 3.36Å; R409-G622 WeakPolarHBondContact CD-O 3.03Å; R409-G622 PolarHBondContact NH1-O 3.37Å; R409-L623 HydrophobicContact CB-CD2 4.38Å; R409-L623 HydrophobicContact CG-CD2 3.69Å; R409-L623 HydrophobicContact CG-CG 4.05Å
410	H	98.8	Very high	98.2	Very high	16 Å²	16	23.6 Å²	23.6	7%	0.074	12%	0.117	C	C	.	.	H	α-helix	trans	-68.5	-38.8	-179.9	-175.2	-144.3	0	0	0	112.4	P406 Y413 Q414 T462 L623 E627	P406-H410 PolarHBondContact O-N 2.91Å; H410-Y413 PolarHBondContact O-N 3.29Å; H410-Q414 PolarHBondContact CE1-NE2 3.24Å; H410-Q414 VanDerWaalsContact CE1-NE2 3.29Å; H410-Q414 PolarHBondContact ND1-NE2 3.15Å; H410-Q414 PolarHBondContact NE2-NE2 3.3Å; H410-Q414 WeakPolarHBondContact O-CG 3.41Å; H410-Q414 PolarHBondContact O-N 2.94Å; H410-Q414 VanDerWaalsContact O-N 3.08Å; H410-Q414 PolarHBondContact O-NE2 3.28Å; H410-T462 PolarHBondContact ND1-OG1 2.99Å; H410-L623 HydrophobicContact CB-CD2 4.25Å; H410-E627 HydrophobicContact CB-CG 4.37Å; H410-E627 WeakPolarHBondContact CB-OE1 3.34Å; H410-E627 IonicContact CG-OE1 3.71Å
411	M	98.8	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.6	-41.5	173.2	-70.1	-170.9	-67.1	0	0	111.7	T391 Y403 H407 Y413 Q414 L415 F439 I464 Y515	T391-M411 HydrophobicContact CG2-SD 4.1Å; Y403-M411 HydrophobicContact CD1-CE 3.94Å; Y403-M411 HydrophobicContact CD2-CE 3.87Å; Y403-M411 HydrophobicContact CE1-CE 4.28Å; Y403-M411 HydrophobicContact CE2-CE 4.21Å; Y403-M411 HydrophobicContact CG-CE 3.71Å; H407-M411 HydrophobicContact CB-CE 4.44Å; H407-M411 WeakPolarHBondContact O-CB 3.22Å; H407-M411 WeakPolarHBondContact O-CE 3.49Å; H407-M411 VanDerWaalsContact O-CG 3.32Å; H407-M411 WeakPolarHBondContact O-CG 3.37Å; H407-M411 PolarHBondContact O-N 2.97Å; M411-Y413 VanDerWaalsContact C-N 3.33Å; M411-Y413 PolarHBondContact O-N 2.93Å; M411-Q414 PolarHBondContact O-N 2.85Å; M411-L415 VanDerWaalsContact O-CG 3.31Å; M411-L415 WeakPolarHBondContact O-CG 3.26Å; M411-L415 PolarHBondContact O-N 2.84Å; M411-F439 HydrophobicContact SD-CE1 3.71Å; M411-F439 HydrophobicContact SD-CZ 3.86Å; M411-I464 HydrophobicContact CB-CD1 4.31Å; M411-I464 HydrophobicContact CG-CD1 4.5Å; M411-I464 HydrophobicContact CG-CG2 4.21Å; M411-I464 HydrophobicContact SD-CG2 4.28Å; M411-Y515 HydrophobicContact CB-CE2 4.25Å; M411-Y515 HydrophobicContact CE-CD2 3.82Å; M411-Y515 HydrophobicContact CE-CE2 4.07Å; M411-Y515 HydrophobicContact CE-CG 4.26Å; M411-Y515 HydrophobicContact SD-CE2 4.15Å
412	A	98.9	Very high	98.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60	-41.8	175.3	0	0	0	0	0	112.4	V408 R409 L415 C416 L512 F619 F620	V408-A412 WeakPolarHBondContact O-CB 3.34Å; V408-A412 PolarHBondContact O-N 3.45Å; R409-A412 PolarHBondContact O-N 2.91Å; A412-L415 PolarHBondContact O-N 2.84Å; A412-C416 PolarHBondContact O-N 3.36Å; A412-C416 PolarHBondContact O-SG 2.87Å; A412-L512 HydrophobicContact CB-CD1 3.64Å; A412-L512 HydrophobicContact CB-CD2 3.55Å; A412-L512 HydrophobicContact CB-CG 4.25Å; A412-F619 HydrophobicContact CB-CE1 4.36Å; A412-F620 HydrophobicContact CB-CE1 3.84Å; A412-F620 HydrophobicContact CB-CZ 3.97Å
413	Y	98.8	Very high	98.4	Very high	35 Å²	35	17 Å²	17	14%	0.137	9%	0.086	C	C	.	.	H	α-helix	trans	-63.9	-47.4	178	-170.6	-115	0	0	0	111.7	R409 H410 M411 L415 C416 H417 L615 F620 L623 R628 F630	R409-Y413 PolarHBondContact O-N 2.6Å; H410-Y413 PolarHBondContact O-N 3.29Å; M411-Y413 VanDerWaalsContact C-N 3.33Å; M411-Y413 PolarHBondContact O-N 2.93Å; Y413-L415 PolarHBondContact O-N 2.86Å; Y413-C416 PolarHBondContact O-N 3.38Å; Y413-H417 WeakPolarHBondContact O-CB 3.46Å; Y413-H417 PolarHBondContact O-N 2.9Å; Y413-L615 HydrophobicContact CD2-CD2 3.56Å; Y413-L615 HydrophobicContact CE2-CD2 3.46Å; Y413-L615 VanDerWaalsContact CE2-CD2 3.46Å; Y413-L615 HydrophobicContact CG-CD2 4.39Å; Y413-F620 HydrophobicContact CD2-CB 4.1Å; Y413-F620 AromaticContact CD2-CD1 3.81Å; Y413-F620 HydrophobicContact CD2-CD1 3.81Å; Y413-F620 AromaticContact CD2-CD2 3.89Å; Y413-F620 HydrophobicContact CD2-CD2 3.89Å; Y413-F620 HydrophobicContact CD2-CE1 4.17Å; Y413-F620 HydrophobicContact CD2-CE2 4.22Å; Y413-F620 AromaticContact CD2-CG 3.66Å; Y413-F620 HydrophobicContact CD2-CG 3.66Å; Y413-F620 HydrophobicContact CD2-CZ 4.36Å; Y413-F620 HydrophobicContact CE2-CB 4.4Å; Y413-F620 HydrophobicContact CE2-CD2 4.48Å; Y413-F620 HydrophobicContact CE2-CG 4.35Å; Y413-F620 HydrophobicContact CG-CD1 4.26Å; Y413-F620 HydrophobicContact CG-CE1 4.44Å; Y413-L623 HydrophobicContact CD1-CD1 3.66Å; Y413-L623 HydrophobicContact CD2-CD1 3.47Å; Y413-L623 VanDerWaalsContact CD2-CD1 3.47Å; Y413-L623 HydrophobicContact CE1-CD1 4.09Å; Y413-L623 HydrophobicContact CE2-CD1 3.92Å; Y413-L623 HydrophobicContact CG-CD1 3.33Å; Y413-R628 HydrophobicContact CE1-CB 4.47Å; Y413-R628 HydrophobicContact CE1-CG 4.38Å; Y413-F630 AromaticContact CD1-CE1 3.88Å; Y413-F630 HydrophobicContact CD1-CE1 3.88Å; Y413-F630 HydrophobicContact CD1-CE2 4.32Å; Y413-F630 AromaticContact CD1-CZ 3.46Å; Y413-F630 HydrophobicContact CD1-CZ 3.46Å; Y413-F630 VanDerWaalsContact CD1-CZ 3.46Å; Y413-F630 AromaticContact CE1-CE1 3.95Å; Y413-F630 HydrophobicContact CE1-CE1 3.95Å; Y413-F630 AromaticContact CE1-CE2 3.6Å; Y413-F630 HydrophobicContact CE1-CE2 3.6Å; Y413-F630 AromaticContact CE1-CZ 3.18Å; Y413-F630 HydrophobicContact CE1-CZ 3.18Å
414	Q	98.7	Very high	98.4	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.023	11%	0.106	C	C	.	.	H	α-helix	trans	-60.7	-42.1	176.2	-73.7	174.1	87.1	0	0	112.6	L366 H410 M411 H417 A418 T462 I464 F630	L366-Q414 HydrophobicContact CD1-CB 3.6Å; L366-Q414 HydrophobicContact CD1-CG 3.66Å; H410-Q414 PolarHBondContact CE1-NE2 3.24Å; H410-Q414 VanDerWaalsContact CE1-NE2 3.29Å; H410-Q414 PolarHBondContact ND1-NE2 3.15Å; H410-Q414 PolarHBondContact NE2-NE2 3.3Å; H410-Q414 WeakPolarHBondContact O-CG 3.41Å; H410-Q414 PolarHBondContact O-N 2.94Å; H410-Q414 VanDerWaalsContact O-N 3.08Å; H410-Q414 PolarHBondContact O-NE2 3.28Å; M411-Q414 PolarHBondContact O-N 2.85Å; Q414-H417 PolarHBondContact O-N 2.81Å; Q414-A418 WeakPolarHBondContact O-CB 3.35Å; Q414-A418 PolarHBondContact O-N 3.21Å; Q414-T462 PolarHBondContact NE2-O 3.32Å; Q414-I464 HydrophobicContact CB-CD1 3.86Å; Q414-I464 HydrophobicContact CB-CG1 3.71Å; Q414-I464 HydrophobicContact CG-CG1 4.31Å; Q414-F630 HydrophobicContact CG-CE1 3.93Å
415	L	98.7	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.7	-48.3	174.7	-70.5	173.2	0	0	0	111.7	M411 A412 Y413 H417 A418 L419 I437 I464 V466 I508 I511 L512 Y515	M411-L415 VanDerWaalsContact O-CG 3.31Å; M411-L415 WeakPolarHBondContact O-CG 3.26Å; M411-L415 PolarHBondContact O-N 2.84Å; A412-L415 PolarHBondContact O-N 2.84Å; Y413-L415 PolarHBondContact O-N 2.86Å; L415-H417 VanDerWaalsContact C-N 3.26Å; L415-H417 PolarHBondContact O-N 3.06Å; L415-A418 PolarHBondContact O-N 3.4Å; L415-L419 HydrophobicContact CD2-CD2 4.43Å; L415-L419 WeakPolarHBondContact O-CB 3.45Å; L415-L419 VanDerWaalsContact O-CD2 3.26Å; L415-L419 WeakPolarHBondContact O-CD2 3.02Å; L415-L419 PolarHBondContact O-N 3.04Å; L415-I437 HydrophobicContact CD1-CD1 3.95Å; L415-I437 HydrophobicContact CD2-CD1 3.61Å; L415-I437 HydrophobicContact CD2-CG1 3.88Å; L415-I437 HydrophobicContact CD2-CG2 4.23Å; L415-I437 HydrophobicContact CG-CD1 4.43Å; L415-I464 HydrophobicContact CD2-CD1 3.86Å; L415-I464 HydrophobicContact CG-CD1 3.83Å; L415-V466 HydrophobicContact CD2-CG2 4.02Å; L415-I508 HydrophobicContact CB-CD1 4.44Å; L415-I511 HydrophobicContact CD1-CG2 4.28Å; L415-L512 HydrophobicContact CD1-CD2 4.44Å; L415-Y515 HydrophobicContact CD1-CE2 4.37Å
416	C	98.8	Very high	98.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-37.8	177.5	-64.1	0	0	0	0	111.6	A412 Y413 R420 L611 L615	A412-C416 PolarHBondContact O-N 3.36Å; A412-C416 PolarHBondContact O-SG 2.87Å; Y413-C416 PolarHBondContact O-N 3.38Å; C416-R420 WeakPolarHBondContact O-CB 3.28Å; C416-R420 PolarHBondContact O-N 3.34Å; C416-L611 HydrophobicContact CB-CD2 4.44Å; C416-L615 HydrophobicContact CB-CD2 3.61Å; C416-L615 HydrophobicContact CB-CG 3.89Å
417	H	98.4	Very high	98.4	Very high	21 Å²	21	20.9 Å²	20.9	10%	0.097	9%	0.094	C	C	.	.	H	α-helix	trans	-67.3	-47.6	178	-175.3	-116.4	0	0	0	112.9	K364 F365 Y413 Q414 L415 F421 L615 F630	K364-H417 PolarHBondContact O-CE1 2.85Å; K364-H417 VanDerWaalsContact O-CE1 3.28Å; F365-H417 AromaticContact CD1-CE1 3.41Å; F365-H417 VanDerWaalsContact CD1-CE1 3.41Å; F365-H417 WeakPolarHBondContact CD1-CE1 3.25Å; F365-H417 AromaticContact CD1-NE2 3.61Å; F365-H417 AromaticContact CE1-CE1 3.71Å; F365-H417 AromaticContact CE1-NE2 3.53Å; Y413-H417 WeakPolarHBondContact O-CB 3.46Å; Y413-H417 PolarHBondContact O-N 2.9Å; Q414-H417 PolarHBondContact O-N 2.81Å; L415-H417 VanDerWaalsContact C-N 3.26Å; L415-H417 PolarHBondContact O-N 3.06Å; H417-F421 PolarHBondContact O-N 2.78Å; H417-L615 HydrophobicContact CB-CD2 4.31Å; H417-F630 HydrophobicContact CB-CE1 4.28Å; H417-F630 HydrophobicContact CB-CE2 4.06Å; H417-F630 HydrophobicContact CB-CZ 3.5Å; H417-F630 AromaticContact CD2-CE2 3.65Å; H417-F630 AromaticContact CE1-CD2 3.81Å; H417-F630 AromaticContact CE1-CE2 3.65Å; H417-F630 AromaticContact CG-CE2 3.45Å; H417-F630 VanDerWaalsContact CG-CE2 3.45Å; H417-F630 AromaticContact CG-CZ 3.39Å; H417-F630 AromaticContact ND1-CD2 3.9Å; H417-F630 AromaticContact ND1-CE1 4Å; H417-F630 AromaticContact ND1-CE2 3.45Å; H417-F630 WeakPolarHBondContact ND1-CE2 3.44Å; H417-F630 AromaticContact ND1-CZ 3.5Å; H417-F630 AromaticContact NE2-CE2 3.81Å
418	A	98.4	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.3	-48.6	-179.8	0	0	0	0	0	112.2	F365 L366 Q414 L415 F421 L422 V466	F365-A418 WeakPolarHBondContact O-CA 3.37Å; F365-A418 VanDerWaalsContact O-CB 3.22Å; F365-A418 WeakPolarHBondContact O-CB 3.19Å; L366-A418 HydrophobicContact CB-CB 4.21Å; Q414-A418 WeakPolarHBondContact O-CB 3.35Å; Q414-A418 PolarHBondContact O-N 3.21Å; L415-A418 PolarHBondContact O-N 3.4Å; A418-F421 WeakPolarHBondContact O-CB 3.49Å; A418-F421 PolarHBondContact O-N 2.96Å; A418-L422 PolarHBondContact O-N 3.22Å; A418-V466 HydrophobicContact CB-CG2 3.88Å
419	L	98.5	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-73.6	-31.3	-176.9	-79.6	-51.6	0	0	0	112.4	L415 F421 L422 H423 H429 L432 V466 I508 L611	L415-L419 HydrophobicContact CD2-CD2 4.43Å; L415-L419 WeakPolarHBondContact O-CB 3.45Å; L415-L419 VanDerWaalsContact O-CD2 3.26Å; L415-L419 WeakPolarHBondContact O-CD2 3.02Å; L415-L419 PolarHBondContact O-N 3.04Å; L419-F421 VanDerWaalsContact C-N 3.26Å; L419-F421 PolarHBondContact O-N 3.35Å; L419-L422 HydrophobicContact CD1-CD1 3.47Å; L419-L422 VanDerWaalsContact CD1-CD1 3.47Å; L419-L422 HydrophobicContact CD1-CG 4.26Å; L419-L422 PolarHBondContact O-N 3.49Å; L419-L422 VanDerWaalsContact O-N 3.12Å; L419-H423 PolarHBondContact O-CD2 2.95Å; L419-H423 PolarHBondContact O-N 3.02Å; L419-H429 HydrophobicContact CD1-CB 3.92Å; L419-L432 HydrophobicContact CD1-CD1 3.84Å; L419-L432 HydrophobicContact CD1-CD2 4.16Å; L419-L432 HydrophobicContact CD1-CG 4.46Å; L419-L432 HydrophobicContact CD2-CD1 4.09Å; L419-L432 HydrophobicContact CD2-CD2 4.14Å; L419-L432 HydrophobicContact CG-CD1 3.7Å; L419-L432 HydrophobicContact CG-CD2 4.43Å; L419-V466 HydrophobicContact CD2-CG1 4.37Å; L419-V466 HydrophobicContact CD2-CG2 3.91Å; L419-I508 HydrophobicContact CB-CD1 4.27Å; L419-I508 HydrophobicContact CD2-CD1 4.35Å; L419-I508 HydrophobicContact CG-CD1 4.13Å; L419-L611 HydrophobicContact CB-CD1 3.24Å; L419-L611 HydrophobicContact CG-CD1 4.47Å
420	R	98.5	Very high	98.3	Very high	51 Å²	51	18.9 Å²	18.9	19%	0.192	9%	0.085	C	C	.	.	H	α-helix	trans	-55.3	-44	169.9	179.9	-168.7	62.6	86.1	11.7	111.1	C416 L422 H423 E424 L611 L615	C416-R420 WeakPolarHBondContact O-CB 3.28Å; C416-R420 PolarHBondContact O-N 3.34Å; R420-L422 VanDerWaalsContact C-N 3.34Å; R420-L422 PolarHBondContact O-N 2.96Å; R420-H423 PolarHBondContact O-N 2.86Å; R420-E424 WeakPolarHBondContact CD-OE1 3.24Å; R420-E424 HydrophobicContact CG-CG 4.37Å; R420-E424 VanDerWaalsContact CG-OE1 3.27Å; R420-E424 WeakPolarHBondContact CG-OE1 3.47Å; R420-E424 IonicContact CZ-OE1 3.35Å; R420-E424 IonicContact CZ-OE2 2.69Å; R420-E424 IonicContact NE-OE1 3.98Å; R420-E424 IonicContact NH1-OE1 2.74Å; R420-E424 PolarHBondContact NH1-OE1 3.08Å; R420-E424 IonicContact NH1-OE2 3.49Å; R420-E424 PolarHBondContact NH1-OE2 2.81Å; R420-E424 WeakPolarHBondContact O-CB 3.42Å; R420-E424 WeakPolarHBondContact O-CG 3.41Å; R420-E424 PolarHBondContact O-N 2.79Å; R420-L611 HydrophobicContact CB-CB 3.91Å; R420-L615 HydrophobicContact CB-CD1 4.46Å
421	F	98.1	Very high	98.2	Very high	10 Å²	10	19 Å²	19	4%	0.044	9%	0.087	C	C	.	.	H	α-helix	trans	-63.4	-36.7	178	161.1	-95.2	0	0	0	112.6	I356 K359 D360 F365 H417 A418 L419 N425	I356-F421 HydrophobicContact CG2-CE1 4.29Å; K359-F421 HydrophobicContact CB-CE2 3.92Å; K359-F421 HydrophobicContact CB-CZ 3.74Å; D360-F421 HydrophobicContact CB-CE1 4.45Å; D360-F421 HydrophobicContact CB-CE2 4.39Å; D360-F421 HydrophobicContact CB-CZ 3.87Å; F365-F421 HydrophobicContact CB-CB 3.78Å; F365-F421 HydrophobicContact CB-CD1 3.5Å; F365-F421 VanDerWaalsContact CB-CD1 3.5Å; F365-F421 HydrophobicContact CB-CD2 4.01Å; F365-F421 HydrophobicContact CB-CE1 4.02Å; F365-F421 HydrophobicContact CB-CE2 4.46Å; F365-F421 HydrophobicContact CB-CG 3.48Å; F365-F421 VanDerWaalsContact CB-CG 3.48Å; F365-F421 HydrophobicContact CB-CZ 4.47Å; F365-F421 HydrophobicContact CD1-CB 3.56Å; F365-F421 AromaticContact CD1-CD2 3.96Å; F365-F421 HydrophobicContact CD1-CD2 3.96Å; F365-F421 AromaticContact CD1-CG 3.85Å; F365-F421 HydrophobicContact CD1-CG 3.85Å; F365-F421 HydrophobicContact CD2-CB 4.37Å; F365-F421 HydrophobicContact CD2-CD1 4.28Å; F365-F421 AromaticContact CD2-CD2 3.28Å; F365-F421 HydrophobicContact CD2-CD2 3.28Å; F365-F421 HydrophobicContact CD2-CE1 4.42Å; F365-F421 AromaticContact CD2-CE2 3.44Å; F365-F421 HydrophobicContact CD2-CE2 3.44Å; F365-F421 VanDerWaalsContact CD2-CE2 3.44Å; F365-F421 AromaticContact CD2-CG 3.72Å; F365-F421 HydrophobicContact CD2-CG 3.72Å; F365-F421 HydrophobicContact CD2-CZ 4.03Å; F365-F421 HydrophobicContact CE1-CB 4.25Å; F365-F421 HydrophobicContact CE1-CD2 4.28Å; F365-F421 AromaticContact CE2-CD2 3.63Å; F365-F421 HydrophobicContact CE2-CD2 3.63Å; F365-F421 AromaticContact CE2-CE2 3.84Å; F365-F421 HydrophobicContact CE2-CE2 3.84Å; F365-F421 HydrophobicContact CE2-CG 4.42Å; F365-F421 HydrophobicContact CG-CB 3.63Å; F365-F421 AromaticContact CG-CD1 3.93Å; F365-F421 HydrophobicContact CG-CD1 3.93Å; F365-F421 AromaticContact CG-CD2 3.45Å; F365-F421 HydrophobicContact CG-CD2 3.45Å; F365-F421 VanDerWaalsContact CG-CD2 3.45Å; F365-F421 HydrophobicContact CG-CE1 4.45Å; F365-F421 HydrophobicContact CG-CE2 4.03Å; F365-F421 AromaticContact CG-CG 3.38Å; F365-F421 HydrophobicContact CG-CG 3.38Å; F365-F421 HydrophobicContact CG-CZ 4.49Å; F365-F421 HydrophobicContact CZ-CD2 4.12Å; H417-F421 PolarHBondContact O-N 2.78Å; A418-F421 WeakPolarHBondContact O-CB 3.49Å; A418-F421 PolarHBondContact O-N 2.96Å; L419-F421 VanDerWaalsContact C-N 3.26Å; L419-F421 PolarHBondContact O-N 3.35Å; F421-N425 PolarHBondContact O-N 3.18Å; F421-N425 PolarHBondContact O-ND2 3.02Å
422	L	97.8	Very high	98.2	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-65	-46	172.5	-58.6	-171.8	0	0	0	111.6	I356 A418 L419 R420 E424 N425 Q426 L427 H429 F469	I356-L422 HydrophobicContact CD1-CD2 3.83Å; I356-L422 HydrophobicContact CG1-CD2 4Å; A418-L422 PolarHBondContact O-N 3.22Å; L419-L422 HydrophobicContact CD1-CD1 3.47Å; L419-L422 VanDerWaalsContact CD1-CD1 3.47Å; L419-L422 HydrophobicContact CD1-CG 4.26Å; L419-L422 PolarHBondContact O-N 3.49Å; L419-L422 VanDerWaalsContact O-N 3.12Å; R420-L422 VanDerWaalsContact C-N 3.34Å; R420-L422 PolarHBondContact O-N 2.96Å; L422-E424 VanDerWaalsContact C-N 3.33Å; L422-E424 PolarHBondContact O-N 2.99Å; L422-N425 CarbonylContact O-C 3.54Å; L422-N425 WeakPolarHBondContact O-CA 3.38Å; L422-N425 PolarHBondContact O-N 3.34Å; L422-Q426 PolarHBondContact O-N 2.76Å; L422-L427 CarbonylContact C-O 3.56Å; L422-L427 HydrophobicContact CB-CD2 4.17Å; L422-L427 HydrophobicContact CD1-CD2 4.11Å; L422-L427 HydrophobicContact CD2-CD2 3.94Å; L422-L427 HydrophobicContact CG-CD2 4.3Å; L422-L427 PolarHBondContact O-N 2.92Å; L422-H429 HydrophobicContact CD1-CB 4.27Å; L422-F469 HydrophobicContact CD1-CE1 3.66Å; L422-F469 HydrophobicContact CD1-CZ 4.48Å; L422-F469 HydrophobicContact CD2-CE1 4.03Å
423	H	98.3	Very high	98.2	Very high	28 Å²	28	20 Å²	20	13%	0.13	9%	0.091	C	C	.	.	H	α-helix	trans	-61.6	-41	-178.9	-65.1	178.4	0	0	0	111.6	L419 R420 N425 Q426 L427 Q501 D504	L419-H423 PolarHBondContact O-CD2 2.95Å; L419-H423 PolarHBondContact O-N 3.02Å; R420-H423 PolarHBondContact O-N 2.86Å; H423-N425 PolarHBondContact O-N 3.19Å; H423-Q426 PolarHBondContact O-N 2.89Å; H423-Q426 VanDerWaalsContact O-N 3.12Å; H423-L427 PolarHBondContact CD2-O 3.48Å; H423-Q501 HydrophobicContact CB-CB 4.3Å; H423-Q501 HydrophobicContact CB-CG 3.81Å; H423-Q501 PolarHBondContact CE1-O 3.17Å; H423-Q501 VanDerWaalsContact CE1-O 3.3Å; H423-D504 IonicContact CD2-OD2 2.77Å; H423-D504 IonicContact CE1-OD2 3.58Å; H423-D504 IonicContact NE2-OD2 3.6Å; H423-D504 PolarHBondContact NE2-OD2 3.12Å
424	E	97.6	Very high	98.2	Very high	98 Å²	98	18.4 Å²	18.4	46%	0.458	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.9	172.9	-74.6	171.9	-174.1	0	0	114	R420 L422 Q426	R420-E424 WeakPolarHBondContact CD-OE1 3.24Å; R420-E424 HydrophobicContact CG-CG 4.37Å; R420-E424 VanDerWaalsContact CG-OE1 3.27Å; R420-E424 WeakPolarHBondContact CG-OE1 3.47Å; R420-E424 IonicContact CZ-OE1 3.35Å; R420-E424 IonicContact CZ-OE2 2.69Å; R420-E424 IonicContact NE-OE1 3.98Å; R420-E424 IonicContact NH1-OE1 2.74Å; R420-E424 PolarHBondContact NH1-OE1 3.08Å; R420-E424 IonicContact NH1-OE2 3.49Å; R420-E424 PolarHBondContact NH1-OE2 2.81Å; R420-E424 WeakPolarHBondContact O-CB 3.42Å; R420-E424 WeakPolarHBondContact O-CG 3.41Å; R420-E424 PolarHBondContact O-N 2.79Å; L422-E424 VanDerWaalsContact C-N 3.33Å; L422-E424 PolarHBondContact O-N 2.99Å; E424-Q426 PolarHBondContact O-NE2 3.45Å
425	N	97.4	Very high	98.1	Very high	27 Å²	27	21.2 Å²	21.2	14%	0.144	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	22.5	173.9	-73.5	-83.2	0	0	0	113.1	K359 F421 L422 H423 L427	K359-N425 WeakPolarHBondContact CE-OD1 3.34Å; K359-N425 WeakPolarHBondContact CG-OD1 3.45Å; K359-N425 PolarHBondContact NZ-OD1 3.02Å; F421-N425 PolarHBondContact O-N 3.18Å; F421-N425 PolarHBondContact O-ND2 3.02Å; L422-N425 CarbonylContact O-C 3.54Å; L422-N425 WeakPolarHBondContact O-CA 3.38Å; L422-N425 PolarHBondContact O-N 3.34Å; H423-N425 PolarHBondContact O-N 3.19Å; N425-L427 VanDerWaalsContact C-N 3.29Å; N425-L427 PolarHBondContact O-N 2.68Å
426	Q	97.6	Very high	98.1	Very high	99 Å²	99	21.8 Å²	21.8	46%	0.463	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	38.8	173.2	-62.1	68.3	67	0	0	112.2	L422 H423 E424 F474 D475	L422-Q426 PolarHBondContact O-N 2.76Å; H423-Q426 PolarHBondContact O-N 2.89Å; H423-Q426 VanDerWaalsContact O-N 3.12Å; E424-Q426 PolarHBondContact O-NE2 3.45Å; Q426-F474 CarbonylContact O-C 3.5Å; Q426-F474 WeakPolarHBondContact O-CA 3.27Å; Q426-F474 WeakPolarHBondContact O-CD1 3.49Å; Q426-D475 VanDerWaalsContact C-OD1 3.24Å; Q426-D475 WeakPolarHBondContact CA-OD2 3.18Å; Q426-D475 HydrophobicContact CB-CB 4.17Å; Q426-D475 WeakPolarHBondContact CB-OD2 3.39Å; Q426-D475 PolarHBondContact O-N 2.77Å; Q426-D475 VanDerWaalsContact O-OD1 3.13Å
427	L	97.6	Very high	98	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.8	-177.3	-172.7	101	0	0	0	110.4	V352 L422 H423 N425 A472 T473 F474	V352-L427 HydrophobicContact CB-CD1 4.45Å; V352-L427 HydrophobicContact CG1-CD1 3.82Å; V352-L427 HydrophobicContact CG1-CD2 3.78Å; V352-L427 HydrophobicContact CG1-CG 4.47Å; V352-L427 HydrophobicContact CG2-CD1 3.82Å; L422-L427 CarbonylContact C-O 3.56Å; L422-L427 HydrophobicContact CB-CD2 4.17Å; L422-L427 HydrophobicContact CD1-CD2 4.11Å; L422-L427 HydrophobicContact CD2-CD2 3.94Å; L422-L427 HydrophobicContact CG-CD2 4.3Å; L422-L427 PolarHBondContact O-N 2.92Å; H423-L427 PolarHBondContact CD2-O 3.48Å; N425-L427 VanDerWaalsContact C-N 3.29Å; N425-L427 PolarHBondContact O-N 2.68Å; L427-A472 HydrophobicContact CD1-CB 4.25Å; L427-A472 HydrophobicContact CD2-CB 4.11Å; L427-A472 HydrophobicContact CG-CB 4.3Å; L427-T473 WeakPolarHBondContact CA-O 3.41Å; L427-F474 HydrophobicContact CB-CD1 4.15Å; L427-F474 HydrophobicContact CB-CE1 4.25Å; L427-F474 HydrophobicContact CD1-CD1 3.69Å; L427-F474 HydrophobicContact CD1-CD2 3.88Å; L427-F474 HydrophobicContact CD1-CE1 3.63Å; L427-F474 HydrophobicContact CD1-CE2 3.82Å; L427-F474 HydrophobicContact CD1-CG 3.81Å; L427-F474 HydrophobicContact CD1-CZ 3.7Å
428	T	98.4	Very high	98.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138.9	170.1	-53.4	0	0	0	0	109.3	T430 A472 T473 W499 Q501 D504	T428-T430 HydrophobicContact CG2-CG2 3.87Å; T428-A472 CarbonylContact O-C 3.55Å; T428-A472 VanDerWaalsContact O-CA 3.26Å; T428-A472 WeakPolarHBondContact O-CA 3.18Å; T428-T473 PolarHBondContact N-O 2.93Å; T428-T473 PolarHBondContact O-N 3.19Å; T428-W499 HydrophobicContact CG2-CE3 4.35Å; T428-W499 HydrophobicContact CG2-CZ3 4.15Å; T428-Q501 PolarHBondContact OG1-N 3.29Å; T428-D504 WeakPolarHBondContact CG2-OD2 3.28Å
429	H	98.5	Very high	98.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.106	C	C	.	.			trans	-77.8	-35.9	-178.6	-170.7	-77.1	0	0	0	112.8	L419 L422 D431 L432 A467 F469 S471 D504	L419-H429 HydrophobicContact CD1-CB 3.92Å; L422-H429 HydrophobicContact CD1-CB 4.27Å; H429-D431 PolarHBondContact O-N 3.18Å; H429-L432 HydrophobicContact CB-CD1 4.44Å; H429-L432 HydrophobicContact CB-CD2 4.22Å; H429-L432 HydrophobicContact CB-CG 4.02Å; H429-A467 PolarHBondContact CE1-O 3.42Å; H429-A467 PolarHBondContact NE2-O 2.85Å; H429-F469 AromaticContact CD2-CD1 3.88Å; H429-F469 AromaticContact CD2-CE1 3.74Å; H429-S471 CarbonylContact O-C 3.41Å; H429-D504 PolarHBondContact N-OD1 3.36Å; H429-D504 PolarHBondContact N-OD2 3.03Å
430	T	97.8	Very high	98	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.124	C	C	.	.			trans	66	-26.1	173.6	94.9	0	0	0	0	117.6	T428 S471 V483 A484 W499 D504	T428-T430 HydrophobicContact CG2-CG2 3.87Å; T430-S471 WeakPolarHBondContact CG2-O 3.19Å; T430-S471 WeakPolarHBondContact OG1-CB 3.32Å; T430-S471 PolarHBondContact OG1-O 3.38Å; T430-V483 HydrophobicContact CG2-CG1 4.43Å; T430-A484 WeakPolarHBondContact O-CA 3.4Å; T430-A484 VanDerWaalsContact O-CB 3.25Å; T430-A484 WeakPolarHBondContact O-CB 3.26Å; T430-A484 PolarHBondContact O-N 2.91Å; T430-W499 HydrophobicContact CG2-CE3 4.35Å; T430-W499 HydrophobicContact CG2-CH2 3.6Å; T430-W499 HydrophobicContact CG2-CZ3 3.49Å; T430-W499 VanDerWaalsContact CG2-CZ3 3.49Å; T430-D504 PolarHBondContact N-OD1 2.89Å
431	D	97.6	Very high	97.8	Very high	18 Å²	18	26.5 Å²	26.5	10%	0.096	13%	0.133	C	C	.	.			trans	-126.4	58.7	174.1	-165.2	37.1	0	0	0	113	H429 K433 N436 T485	H429-D431 PolarHBondContact O-N 3.18Å; D431-K433 IonicContact OD1-NZ 3.22Å; D431-K433 IonicContact OD2-NZ 3.5Å; D431-K433 PolarHBondContact OD2-NZ 3.13Å; D431-N436 PolarHBondContact O-ND2 3.4Å; D431-T485 VanDerWaalsContact OD1-CB 3.26Å; D431-T485 WeakPolarHBondContact OD1-CB 3.22Å; D431-T485 PolarHBondContact OD1-N 2.87Å; D431-T485 PolarHBondContact OD1-OG1 3.4Å; D431-T485 PolarHBondContact OD2-OG1 2.81Å
432	L	98.6	Very high	97.8	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.138	C	C	.	.			trans	-77.1	131.7	169.5	-70.6	172.8	0	0	0	110.8	L419 H429 V466 D504 I508 I511	L419-L432 HydrophobicContact CD1-CD1 3.84Å; L419-L432 HydrophobicContact CD1-CD2 4.16Å; L419-L432 HydrophobicContact CD1-CG 4.46Å; L419-L432 HydrophobicContact CD2-CD1 4.09Å; L419-L432 HydrophobicContact CD2-CD2 4.14Å; L419-L432 HydrophobicContact CG-CD1 3.7Å; L419-L432 HydrophobicContact CG-CD2 4.43Å; H429-L432 HydrophobicContact CB-CD1 4.44Å; H429-L432 HydrophobicContact CB-CD2 4.22Å; H429-L432 HydrophobicContact CB-CG 4.02Å; L432-V466 HydrophobicContact CD2-CG1 3.89Å; L432-D504 HydrophobicContact CD1-CB 3.63Å; L432-I508 HydrophobicContact CD1-CD1 4.35Å; L432-I508 HydrophobicContact CD1-CG1 4.1Å; L432-I511 HydrophobicContact CB-CD1 4.08Å
433	K	98.3	Very high	97.7	Very high	22 Å²	22	31.6 Å²	31.6	10%	0.096	16%	0.159	C	C	.	.			trans	-163.1	159.8	-179.8	60.2	-175.6	-173.2	-79.6	0	110.5	D431 E435 N436 T485 Y488	D431-K433 IonicContact OD1-NZ 3.22Å; D431-K433 IonicContact OD2-NZ 3.5Å; D431-K433 PolarHBondContact OD2-NZ 3.13Å; K433-E435 WeakPolarHBondContact CB-OE2 3.42Å; K433-E435 HydrophobicContact CD-CB 4.34Å; K433-E435 WeakPolarHBondContact CD-OE2 3.34Å; K433-E435 HydrophobicContact CG-CB 4.24Å; K433-E435 WeakPolarHBondContact CG-OE2 3.27Å; K433-E435 PolarHBondContact O-N 2.87Å; K433-N436 WeakPolarHBondContact CE-OD1 3.48Å; K433-N436 HydrophobicContact CG-CB 3.91Å; K433-N436 VanDerWaalsContact NZ-CG 3.26Å; K433-N436 PolarHBondContact NZ-ND2 3.13Å; K433-N436 PolarHBondContact NZ-OD1 2.87Å; K433-N436 VanDerWaalsContact NZ-OD1 3.08Å; K433-N436 PolarHBondContact O-N 3.49Å; K433-T485 HydrophobicContact CD-CG2 4.23Å; K433-Y488 HydrophobicContact CB-CD2 3.58Å; K433-Y488 HydrophobicContact CB-CE2 3.32Å; K433-Y488 HydrophobicContact CB-CG 4.44Å
434	P	98.5	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-56.9	-28.4	178.1	-27.7	39.8	0	0	0	114.3	T391 F392 N436 I437 Y488 I511 Y515	T391-P434 PolarHBondContact N-O 3.16Å; T391-P434 WeakPolarHBondContact OG1-CA 3.31Å; T391-P434 PolarHBondContact OG1-O 2.72Å; F392-P434 HydrophobicContact CB-CB 3.91Å; F392-P434 PolarHBondContact N-O 3.22Å; P434-N436 VanDerWaalsContact C-N 3.27Å; P434-N436 PolarHBondContact O-N 3.46Å; P434-I437 PolarHBondContact O-N 3.11Å; P434-Y488 VanDerWaalsContact CD-OH 3.23Å; P434-Y488 WeakPolarHBondContact CD-OH 3.21Å; P434-Y488 HydrophobicContact CG-CE1 4.32Å; P434-I511 HydrophobicContact CG-CG1 4.24Å; P434-I511 HydrophobicContact CG-CG2 4.42Å; P434-Y515 HydrophobicContact CB-CE1 4.07Å; P434-Y515 HydrophobicContact CG-CE1 4.22Å
435	E	96.6	Very high	97.5	Very high	64 Å²	64	33.8 Å²	33.8	30%	0.299	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-68.9	-24.5	174.4	-52	96.5	119.7	0	0	113.3	N390 F392 K433	N390-E435 VanDerWaalsContact CB-O 3.28Å; N390-E435 WeakPolarHBondContact CB-O 3.43Å; F392-E435 HydrophobicContact CB-CG 3.88Å; F392-E435 HydrophobicContact CD1-CG 4.17Å; F392-E435 HydrophobicContact CG-CG 4.04Å; K433-E435 WeakPolarHBondContact CB-OE2 3.42Å; K433-E435 HydrophobicContact CD-CB 4.34Å; K433-E435 WeakPolarHBondContact CD-OE2 3.34Å; K433-E435 HydrophobicContact CG-CB 4.24Å; K433-E435 WeakPolarHBondContact CG-OE2 3.27Å; K433-E435 PolarHBondContact O-N 2.87Å
436	N	97.9	Very high	97.3	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.07	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-97.1	10	-178.6	-76.9	9	0	0	0	112.7	D431 K433 P434 A467	D431-N436 PolarHBondContact O-ND2 3.4Å; K433-N436 WeakPolarHBondContact CE-OD1 3.48Å; K433-N436 HydrophobicContact CG-CB 3.91Å; K433-N436 VanDerWaalsContact NZ-CG 3.26Å; K433-N436 PolarHBondContact NZ-ND2 3.13Å; K433-N436 PolarHBondContact NZ-OD1 2.87Å; K433-N436 VanDerWaalsContact NZ-OD1 3.08Å; K433-N436 PolarHBondContact O-N 3.49Å; P434-N436 VanDerWaalsContact C-N 3.27Å; P434-N436 PolarHBondContact O-N 3.46Å; N436-A467 PolarHBondContact O-N 2.88Å
437	I	98.6	Very high	97	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113.8	177.7	-60.4	161.9	0	0	0	107.5	N390 T391 L415 P434 I464 I511 Y515	N390-I437 CarbonylContact C-O 3.51Å; N390-I437 VanDerWaalsContact CA-O 3.22Å; N390-I437 WeakPolarHBondContact CA-O 3.15Å; N390-I437 WeakPolarHBondContact CB-O 3.44Å; T391-I437 HydrophobicContact CG2-CB 4.34Å; T391-I437 HydrophobicContact CG2-CG2 3.92Å; T391-I437 PolarHBondContact N-O 3.41Å; L415-I437 HydrophobicContact CD1-CD1 3.95Å; L415-I437 HydrophobicContact CD2-CD1 3.61Å; L415-I437 HydrophobicContact CD2-CG1 3.88Å; L415-I437 HydrophobicContact CD2-CG2 4.23Å; L415-I437 HydrophobicContact CG-CD1 4.43Å; P434-I437 PolarHBondContact O-N 3.11Å; I437-I464 HydrophobicContact CG2-CB 4.06Å; I437-I464 HydrophobicContact CG2-CD1 3.7Å; I437-I464 HydrophobicContact CG2-CG1 4.48Å; I437-I464 HydrophobicContact CG2-CG2 4.11Å; I437-I511 HydrophobicContact CD1-CD1 4Å; I437-I511 HydrophobicContact CD1-CG2 4.01Å; I437-Y515 VanDerWaalsContact CD1-OH 3.27Å; I437-Y515 WeakPolarHBondContact CD1-OH 3.21Å
438	L	98.5	Very high	96.5	Very high	39 Å²	39	42.1 Å²	42.1	20%	0.204	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138	-172.3	-78.1	66.4	0	0	0	110.9	L387 N390 I464 R465 A467	L387-L438 HydrophobicContact CB-CB 4.28Å; L387-L438 HydrophobicContact CB-CD2 4.09Å; L387-L438 HydrophobicContact CD1-CB 4.11Å; L387-L438 HydrophobicContact CD1-CD2 4.13Å; N390-L438 HydrophobicContact CB-CD1 3.98Å; N390-L438 HydrophobicContact CB-CG 4.15Å; L438-I464 CarbonylContact O-C 3.36Å; L438-I464 WeakPolarHBondContact O-CA 3.31Å; L438-I464 WeakPolarHBondContact O-CB 3.27Å; L438-R465 PolarHBondContact N-O 3.31Å; L438-R465 PolarHBondContact O-N 3.05Å; L438-A467 HydrophobicContact CD1-CB 3.89Å
439	F	98.4	Very high	95.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	143.6	168.4	-69.7	-69.6	0	0	0	110.6	G388 K389 T391 F394 Y403 M411 V459 S463 I464	G388-F439 WeakPolarHBondContact CA-O 3.31Å; G388-F439 PolarHBondContact N-O 2.7Å; K389-F439 PolarHBondContact O-N 3.34Å; T391-F439 HydrophobicContact CG2-CD2 4.32Å; T391-F439 HydrophobicContact CG2-CE1 4.33Å; T391-F439 HydrophobicContact CG2-CE2 3.76Å; T391-F439 HydrophobicContact CG2-CZ 3.76Å; F394-F439 HydrophobicContact CB-CD2 4.4Å; F394-F439 HydrophobicContact CB-CE2 3.84Å; F394-F439 HydrophobicContact CD2-CD2 4.48Å; F394-F439 HydrophobicContact CD2-CE2 4.18Å; F394-F439 AromaticContact CG-CE2 3.92Å; F394-F439 HydrophobicContact CG-CE2 3.92Å; Y403-F439 HydrophobicContact CE1-CE2 4.36Å; Y403-F439 AromaticContact CE1-CZ 3.8Å; Y403-F439 HydrophobicContact CE1-CZ 3.8Å; Y403-F439 AromaticContact CZ-CZ 3.98Å; M411-F439 HydrophobicContact SD-CE1 3.71Å; M411-F439 HydrophobicContact SD-CZ 3.86Å; F439-V459 HydrophobicContact CD1-CG2 4.22Å; F439-V459 HydrophobicContact CD2-CG2 4.5Å; F439-V459 HydrophobicContact CE1-CG1 3.9Å; F439-V459 HydrophobicContact CE1-CG2 4.22Å; F439-V459 HydrophobicContact CE2-CG2 4.47Å; F439-V459 HydrophobicContact CG-CG2 4.37Å; F439-V459 HydrophobicContact CZ-CB 4.45Å; F439-V459 HydrophobicContact CZ-CG1 3.98Å; F439-V459 HydrophobicContact CZ-CG2 4.34Å; F439-S463 WeakPolarHBondContact CA-O 3.27Å; F439-I464 HydrophobicContact CD1-CG2 3.73Å; F439-I464 HydrophobicContact CE1-CG2 3.97Å; F439-I464 HydrophobicContact CG-CG2 4.48Å
440	V	96.8	Very high	95.2	Very high	62 Å²	62	51.3 Å²	51.3	38%	0.376	25%	0.253	S	S	.	.	S	Bend	trans	-64.7	-43.2	172.3	177.3	0	0	0	0	110.4	L387 S463 R465	L387-V440 HydrophobicContact CD2-CG2 4.46Å; V440-S463 PolarHBondContact N-O 2.9Å; V440-R465 HydrophobicContact CG2-CG 4.15Å
441	N	95.7	Very high	94.4	Very high	70 Å²	70	60.2 Å²	60.2	37%	0.374	29%	0.294	S	S	.	.			trans	-136.6	125.9	164.2	-179.6	-7.1	0	0	0	108.1	E443	N441-E443 PolarHBondContact ND2-OE1 3.29Å; N441-E443 WeakPolarHBondContact OD1-CB 3.41Å; N441-E443 WeakPolarHBondContact OD1-CG 3.32Å; N441-E443 PolarHBondContact OD1-N 3.43Å
442	S	96.4	Very high	93.5	Very high	21 Å²	21	63.2 Å²	63.2	15%	0.147	31%	0.306	C	S	.	.			trans	-97.3	21.5	-178.9	62.7	0	0	0	0	113.9	K389	K389-S442 PolarHBondContact N-OG 3.34Å
443	E	96.8	Very high	92.8	Very high	96 Å²	96	67.3 Å²	67.3	45%	0.449	34%	0.335	S	S	.	.			trans	-55.1	139.3	168.2	-89.9	-178.1	-110.1	0	0	111.8	N441 V459 K460	N441-E443 PolarHBondContact ND2-OE1 3.29Å; N441-E443 WeakPolarHBondContact OD1-CB 3.41Å; N441-E443 WeakPolarHBondContact OD1-CG 3.32Å; N441-E443 PolarHBondContact OD1-N 3.43Å; E443-V459 WeakPolarHBondContact O-CG2 3.35Å; E443-K460 HydrophobicContact CB-CD 4.09Å; E443-K460 PolarHBondContact O-N 2.63Å; E443-K460 IonicContact OE2-NZ 2.72Å; E443-K460 PolarHBondContact OE2-NZ 3.45Å
444	F	96.3	Very high	92.1	Very high	83 Å²	83	68.1 Å²	68.1	36%	0.364	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	160.9	177.2	63.7	-89.5	0	0	0	112.4	F394 K457 S458 K460	F394-F444 HydrophobicContact CE2-CB 3.88Å; F394-F444 HydrophobicContact CE2-CD1 4.44Å; F394-F444 HydrophobicContact CZ-CB 3.81Å; F444-K457 HydrophobicContact CB-CB 4.2Å; F444-K457 HydrophobicContact CD1-CD 4.36Å; F444-K457 HydrophobicContact CD2-CB 3.98Å; F444-K457 HydrophobicContact CD2-CD 3.94Å; F444-K457 HydrophobicContact CD2-CG 3.7Å; F444-K457 HydrophobicContact CE1-CD 4.3Å; F444-K457 HydrophobicContact CE2-CD 3.87Å; F444-K457 HydrophobicContact CE2-CG 3.91Å; F444-K457 HydrophobicContact CG-CB 4.16Å; F444-K457 HydrophobicContact CG-CD 4.2Å; F444-K457 HydrophobicContact CG-CG 4.23Å; F444-K457 HydrophobicContact CZ-CD 4.07Å; F444-S458 CarbonylContact C-O 3.43Å; F444-S458 WeakPolarHBondContact CA-O 3.37Å; F444-S458 WeakPolarHBondContact CB-O 3.26Å; F444-K460 WeakPolarHBondContact O-CE 3.48Å
445	E	94.8	Very high	91.5	Very high	89 Å²	89	75 Å²	75	42%	0.416	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	149.4	160.2	64.5	-165.9	175.7	0	0	108.6	L447 K457 S458	E445-L447 HydrophobicContact CG-CD2 3.99Å; E445-L447 HydrophobicContact CG-CG 4.14Å; E445-K457 WeakPolarHBondContact O-CA 3.29Å; E445-S458 PolarHBondContact N-O 2.93Å; E445-S458 PolarHBondContact O-N 3.39Å; E445-S458 WeakPolarHBondContact OE1-CB 3.36Å; E445-S458 PolarHBondContact OE1-OG 3.28Å; E445-S458 VanDerWaalsContact OE1-OG 3.08Å
446	T	93.1	Very high	91.2	Very high	77 Å²	77	73.2 Å²	73.2	47%	0.472	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117	173.3	-57.6	0	0	0	0	108.4	E455	T446-E455 HydrophobicContact CG2-CB 3.81Å; T446-E455 HydrophobicContact CG2-CG 3.84Å
447	L	90.8	Very high	91	Very high	85 Å²	85	75.5 Å²	75.5	45%	0.445	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	147.1	173.7	-55.8	-178.4	0	0	0	109.2	E445 E455 E456	E445-L447 HydrophobicContact CG-CD2 3.99Å; E445-L447 HydrophobicContact CG-CG 4.14Å; L447-E455 CarbonylContact O-C 3.59Å; L447-E455 WeakPolarHBondContact O-CA 3.29Å; L447-E456 PolarHBondContact N-O 3.1Å; L447-E456 PolarHBondContact O-N 3.31Å
448	Y	88	Confident	90.8	Very high	143 Å²	143	76 Å²	76	56%	0.561	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.8	169.3	-174.8	-100.6	0	0	0	109.5	E450 S453	Y448-E450 HydrophobicContact CD1-CG 4.05Å; Y448-E450 HydrophobicContact CE1-CG 4.18Å; Y448-S453 WeakPolarHBondContact OH-CA 3.22Å
449	N	84.4	Confident	90.8	Very high	36 Å²	36	74.2 Å²	74.2	19%	0.193	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	99.6	177.5	-170.3	-37.9	0	0	0	109.9	H451 K452 S453 C454 E456	N449-H451 VanDerWaalsContact C-N 3.27Å; N449-H451 PolarHBondContact O-N 3.45Å; N449-H451 PolarHBondContact OD1-N 2.85Å; N449-H451 VanDerWaalsContact OD1-N 3.13Å; N449-K452 HydrophobicContact CB-CB 4.15Å; N449-K452 HydrophobicContact CB-CD 4.28Å; N449-K452 HydrophobicContact CB-CG 4.36Å; N449-K452 WeakPolarHBondContact ND2-CD 3.32Å; N449-K452 VanDerWaalsContact ND2-CE 3.31Å; N449-K452 WeakPolarHBondContact ND2-CE 3.41Å; N449-K452 CarbonylContact O-C 3.58Å; N449-K452 PolarHBondContact O-N 3.36Å; N449-K452 VanDerWaalsContact O-N 3.12Å; N449-K452 PolarHBondContact OD1-N 2.78Å; N449-S453 WeakPolarHBondContact O-CA 3.38Å; N449-S453 PolarHBondContact O-N 2.72Å; N449-C454 PolarHBondContact N-O 3.26Å; N449-C454 PolarHBondContact O-N 2.83Å; N449-E456 HydrophobicContact CB-CB 4.47Å; N449-E456 PolarHBondContact ND2-OE2 3.07Å
450	E	84.7	Confident	90.7	Very high	158 Å²	158	80 Å²	80	74%	0.738	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.3	-179.8	-63	-175.8	171.7	0	0	113.1	Y448 K452 S453	Y448-E450 HydrophobicContact CD1-CG 4.05Å; Y448-E450 HydrophobicContact CE1-CG 4.18Å; E450-K452 VanDerWaalsContact C-N 3.31Å; E450-K452 PolarHBondContact O-N 2.81Å; E450-S453 PolarHBondContact O-N 3.18Å
451	H	80.8	Confident	90.6	Very high	187 Å²	187	80.5 Å²	80.5	87%	0.866	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.4	179.9	-62.6	-58.7	0	0	0	113.6	N449	N449-H451 VanDerWaalsContact C-N 3.27Å; N449-H451 PolarHBondContact O-N 3.45Å; N449-H451 PolarHBondContact OD1-N 2.85Å; N449-H451 VanDerWaalsContact OD1-N 3.13Å
452	K	79.8	Confident	90.7	Very high	81 Å²	81	77.8 Å²	77.8	35%	0.352	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-10.3	177.2	-59.8	178.1	-170.5	172.1	0	113	N449 E450 C454 E456	N449-K452 HydrophobicContact CB-CB 4.15Å; N449-K452 HydrophobicContact CB-CD 4.28Å; N449-K452 HydrophobicContact CB-CG 4.36Å; N449-K452 WeakPolarHBondContact ND2-CD 3.32Å; N449-K452 VanDerWaalsContact ND2-CE 3.31Å; N449-K452 WeakPolarHBondContact ND2-CE 3.41Å; N449-K452 CarbonylContact O-C 3.58Å; N449-K452 PolarHBondContact O-N 3.36Å; N449-K452 VanDerWaalsContact O-N 3.12Å; N449-K452 PolarHBondContact OD1-N 2.78Å; E450-K452 VanDerWaalsContact C-N 3.31Å; E450-K452 PolarHBondContact O-N 2.81Å; K452-C454 VanDerWaalsContact C-N 3.27Å; K452-C454 VanDerWaalsContact CB-SG 3.53Å; K452-C454 PolarHBondContact O-N 3.04Å; K452-E456 IonicContact NZ-OE1 2.7Å; K452-E456 PolarHBondContact NZ-OE1 3.3Å; K452-E456 IonicContact NZ-OE2 2.8Å; K452-E456 PolarHBondContact NZ-OE2 2.97Å
453	S	84.5	Confident	90.8	Very high	88 Å²	88	78.4 Å²	78.4	62%	0.615	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	43.4	-168.1	-62.4	0	0	0	0	113.7	Y448 N449 E450	Y448-S453 WeakPolarHBondContact OH-CA 3.22Å; N449-S453 WeakPolarHBondContact O-CA 3.38Å; N449-S453 PolarHBondContact O-N 2.72Å; E450-S453 PolarHBondContact O-N 3.18Å
454	C	82.3	Confident	90.9	Very high	39 Å²	39	74 Å²	74	26%	0.264	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.6	-177.7	76.7	0	0	0	0	113.4	N449 K452	N449-C454 PolarHBondContact N-O 3.26Å; N449-C454 PolarHBondContact O-N 2.83Å; K452-C454 VanDerWaalsContact C-N 3.27Å; K452-C454 VanDerWaalsContact CB-SG 3.53Å; K452-C454 PolarHBondContact O-N 3.04Å
455	E	86.8	Confident	91	Very high	145 Å²	145	70.9 Å²	70.9	68%	0.678	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	141.1	165.8	-70.5	-179.9	-168.3	0	0	111.1	T446 L447	T446-E455 HydrophobicContact CG2-CB 3.81Å; T446-E455 HydrophobicContact CG2-CG 3.84Å; L447-E455 CarbonylContact O-C 3.59Å; L447-E455 WeakPolarHBondContact O-CA 3.29Å
456	E	89.3	Confident	91.2	Very high	25 Å²	25	66.8 Å²	66.8	12%	0.117	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	132	-179.3	-173.4	160.8	-162.8	0	0	109.8	Q401 L447 N449 K452	Q401-E456 HydrophobicContact CB-CG 4.27Å; Q401-E456 WeakPolarHBondContact CB-OE1 3.46Å; L447-E456 PolarHBondContact N-O 3.1Å; L447-E456 PolarHBondContact O-N 3.31Å; N449-E456 HydrophobicContact CB-CB 4.47Å; N449-E456 PolarHBondContact ND2-OE2 3.07Å; K452-E456 IonicContact NZ-OE1 2.7Å; K452-E456 PolarHBondContact NZ-OE1 3.3Å; K452-E456 IonicContact NZ-OE2 2.8Å; K452-E456 PolarHBondContact NZ-OE2 2.97Å
457	K	93.9	Very high	91.3	Very high	61 Å²	61	63.7 Å²	63.7	27%	0.265	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.8	-176.6	-63.9	177.1	179.5	167.6	0	110.6	F394 E397 N398 F444 E445	F394-K457 HydrophobicContact CE1-CB 4.39Å; F394-K457 HydrophobicContact CZ-CB 4.18Å; E397-K457 PolarHBondContact O-NZ 3.22Å; N398-K457 HydrophobicContact CB-CB 4.39Å; N398-K457 WeakPolarHBondContact OD1-CB 3.5Å; N398-K457 PolarHBondContact OD1-N 3.4Å; F444-K457 HydrophobicContact CB-CB 4.2Å; F444-K457 HydrophobicContact CD1-CD 4.36Å; F444-K457 HydrophobicContact CD2-CB 3.98Å; F444-K457 HydrophobicContact CD2-CD 3.94Å; F444-K457 HydrophobicContact CD2-CG 3.7Å; F444-K457 HydrophobicContact CE1-CD 4.3Å; F444-K457 HydrophobicContact CE2-CD 3.87Å; F444-K457 HydrophobicContact CE2-CG 3.91Å; F444-K457 HydrophobicContact CG-CB 4.16Å; F444-K457 HydrophobicContact CG-CD 4.2Å; F444-K457 HydrophobicContact CG-CG 4.23Å; F444-K457 HydrophobicContact CZ-CD 4.07Å; E445-K457 WeakPolarHBondContact O-CA 3.29Å
458	S	95.3	Very high	91.5	Very high	11 Å²	11	61.8 Å²	61.8	8%	0.077	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.3	171.6	172.7	0	0	0	0	109.3	H407 F444 E445	H407-S458 PolarHBondContact CE1-OG 2.96Å; F444-S458 CarbonylContact C-O 3.43Å; F444-S458 WeakPolarHBondContact CA-O 3.37Å; F444-S458 WeakPolarHBondContact CB-O 3.26Å; E445-S458 PolarHBondContact N-O 2.93Å; E445-S458 PolarHBondContact O-N 3.39Å; E445-S458 WeakPolarHBondContact OE1-CB 3.36Å; E445-S458 PolarHBondContact OE1-OG 3.28Å; E445-S458 VanDerWaalsContact OE1-OG 3.08Å
459	V	97.1	Very high	91.9	Very high	2 Å²	2	55 Å²	55	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	126.4	174.7	68.3	0	0	0	0	109.2	F394 H407 F439 E443 N461 T462	F394-V459 HydrophobicContact CD2-CB 4.49Å; F394-V459 HydrophobicContact CD2-CG2 4.43Å; F394-V459 HydrophobicContact CE1-CB 4.19Å; F394-V459 HydrophobicContact CE2-CB 3.73Å; F394-V459 HydrophobicContact CE2-CG2 3.88Å; F394-V459 HydrophobicContact CZ-CB 3.58Å; F394-V459 HydrophobicContact CZ-CG2 4.26Å; H407-V459 PolarHBondContact CE1-O 2.87Å; F439-V459 HydrophobicContact CD1-CG2 4.22Å; F439-V459 HydrophobicContact CD2-CG2 4.5Å; F439-V459 HydrophobicContact CE1-CG1 3.9Å; F439-V459 HydrophobicContact CE1-CG2 4.22Å; F439-V459 HydrophobicContact CE2-CG2 4.47Å; F439-V459 HydrophobicContact CG-CG2 4.37Å; F439-V459 HydrophobicContact CZ-CB 4.45Å; F439-V459 HydrophobicContact CZ-CG1 3.98Å; F439-V459 HydrophobicContact CZ-CG2 4.34Å; E443-V459 WeakPolarHBondContact O-CG2 3.35Å; V459-N461 PolarHBondContact O-N 3.22Å; V459-T462 HydrophobicContact CG1-CG2 3.65Å
460	K	96.6	Very high	92.3	Very high	121 Å²	121	54.7 Å²	54.7	53%	0.526	28%	0.284	S	S	.	.	S	Bend	trans	-67.2	-25.6	-174.1	-60.5	-178.5	-167.8	169.2	0	113.4	E443 F444	E443-K460 HydrophobicContact CB-CD 4.09Å; E443-K460 PolarHBondContact O-N 2.63Å; E443-K460 IonicContact OE2-NZ 2.72Å; E443-K460 PolarHBondContact OE2-NZ 3.45Å; F444-K460 WeakPolarHBondContact O-CE 3.48Å
461	N	95.8	Very high	92.8	Very high	72 Å²	72	49.4 Å²	49.4	39%	0.385	26%	0.264	S	S	.	.			trans	-140.4	116.5	-179.6	-171.1	-24.7	0	0	0	109.8	V459 S463	V459-N461 PolarHBondContact O-N 3.22Å; N461-S463 VanDerWaalsContact C-N 3.26Å; N461-S463 PolarHBondContact O-N 3.23Å; N461-S463 WeakPolarHBondContact OD1-CB 3.22Å; N461-S463 PolarHBondContact OD1-N 2.9Å; N461-S463 PolarHBondContact OD1-OG 2.91Å
462	T	97.9	Very high	93.5	Very high	13 Å²	13	41 Å²	41	8%	0.08	23%	0.227	C	C	.	.			trans	-86.2	11.7	-178.1	44.9	0	0	0	0	113.7	H407 H410 Q414 V459 I464	H407-T462 HydrophobicContact CB-CG2 3.64Å; H407-T462 VanDerWaalsContact CG-CG2 3.41Å; H410-T462 PolarHBondContact ND1-OG1 2.99Å; Q414-T462 PolarHBondContact NE2-O 3.32Å; V459-T462 HydrophobicContact CG1-CG2 3.65Å; T462-I464 PolarHBondContact O-N 2.74Å
463	S	98.1	Very high	94.3	Very high	35 Å²	35	37.8 Å²	37.8	25%	0.245	22%	0.215	C	C	.	.			trans	-64.1	127.4	173.4	-60.5	0	0	0	0	111.2	F439 V440 N461	F439-S463 WeakPolarHBondContact CA-O 3.27Å; V440-S463 PolarHBondContact N-O 2.9Å; N461-S463 VanDerWaalsContact C-N 3.26Å; N461-S463 PolarHBondContact O-N 3.23Å; N461-S463 WeakPolarHBondContact OD1-CB 3.22Å; N461-S463 PolarHBondContact OD1-N 2.9Å; N461-S463 PolarHBondContact OD1-OG 2.91Å
464	I	98.4	Very high	94.8	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	168.9	-176.4	54.5	163.6	0	0	0	113.8	M411 Q414 L415 I437 L438 F439 T462	M411-I464 HydrophobicContact CB-CD1 4.31Å; M411-I464 HydrophobicContact CG-CD1 4.5Å; M411-I464 HydrophobicContact CG-CG2 4.21Å; M411-I464 HydrophobicContact SD-CG2 4.28Å; Q414-I464 HydrophobicContact CB-CD1 3.86Å; Q414-I464 HydrophobicContact CB-CG1 3.71Å; Q414-I464 HydrophobicContact CG-CG1 4.31Å; L415-I464 HydrophobicContact CD2-CD1 3.86Å; L415-I464 HydrophobicContact CG-CD1 3.83Å; I437-I464 HydrophobicContact CG2-CB 4.06Å; I437-I464 HydrophobicContact CG2-CD1 3.7Å; I437-I464 HydrophobicContact CG2-CG1 4.48Å; I437-I464 HydrophobicContact CG2-CG2 4.11Å; L438-I464 CarbonylContact O-C 3.36Å; L438-I464 WeakPolarHBondContact O-CA 3.31Å; L438-I464 WeakPolarHBondContact O-CB 3.27Å; F439-I464 HydrophobicContact CD1-CG2 3.73Å; F439-I464 HydrophobicContact CE1-CG2 3.97Å; F439-I464 HydrophobicContact CG-CG2 4.48Å; T462-I464 PolarHBondContact O-N 2.74Å
465	R	98.4	Very high	95.4	Very high	19 Å²	19	36.5 Å²	36.5	7%	0.072	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.2	169.2	-70.3	-67.8	-177	-103.4	21.9	110.8	N363 L366 V368 E385 L387 L438 V440	N363-R465 VanDerWaalsContact CG-NH2 3.31Å; N363-R465 PolarHBondContact ND2-NH2 3Å; N363-R465 PolarHBondContact OD1-NH2 2.8Å; L366-R465 CarbonylContact O-C 3.57Å; L366-R465 VanDerWaalsContact O-CA 3.22Å; L366-R465 WeakPolarHBondContact O-CA 3.28Å; L366-R465 VanDerWaalsContact O-CD 3.31Å; L366-R465 WeakPolarHBondContact O-CD 3.49Å; V368-R465 HydrophobicContact CG1-CB 3.91Å; E385-R465 IonicContact OE1-NE 3.13Å; E385-R465 PolarHBondContact OE1-NE 3.29Å; L387-R465 HydrophobicContact CD1-CB 3.74Å; L387-R465 HydrophobicContact CD1-CG 3.89Å; L387-R465 HydrophobicContact CD2-CG 3.98Å; L438-R465 PolarHBondContact N-O 3.31Å; L438-R465 PolarHBondContact O-N 3.05Å; V440-R465 HydrophobicContact CG2-CG 4.15Å
466	V	98.4	Very high	95.7	Very high	3 Å²	3	37 Å²	37	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.1	173	-178.3	0	0	0	0	109.6	L366 V368 L415 A418 L419 L432 F469	L366-V466 PolarHBondContact O-N 2.95Å; V368-V466 PolarHBondContact N-O 3.44Å; L415-V466 HydrophobicContact CD2-CG2 4.02Å; A418-V466 HydrophobicContact CB-CG2 3.88Å; L419-V466 HydrophobicContact CD2-CG1 4.37Å; L419-V466 HydrophobicContact CD2-CG2 3.91Å; L432-V466 HydrophobicContact CD2-CG1 3.89Å; V466-F469 HydrophobicContact CG1-CZ 4.38Å; V466-F469 WeakPolarHBondContact O-CE2 3.38Å
467	A	97	Very high	95.8	Very high	12 Å²	12	38.9 Å²	38.9	10%	0.099	21%	0.208	C	C	.	.			trans	-132.4	169	-169.8	0	0	0	0	0	114.1	V368 H429 N436 L438	V368-A467 HydrophobicContact CG1-CB 3.73Å; V368-A467 HydrophobicContact CG2-CB 4.2Å; H429-A467 PolarHBondContact CE1-O 3.42Å; H429-A467 PolarHBondContact NE2-O 2.85Å; N436-A467 PolarHBondContact O-N 2.88Å; L438-A467 HydrophobicContact CD1-CB 3.89Å
468	D	94.8	Very high	95.6	Very high	44 Å²	44	43.3 Å²	43.3	24%	0.235	23%	0.229	C	C	.	.			trans	63.4	61.4	178.7	-164	38.7	0	0	0	115.2	K334 G470	K334-D468 IonicContact NZ-OD1 3.2Å; K334-D468 PolarHBondContact NZ-OD1 2.73Å; D468-G470 PolarHBondContact O-N 3.08Å
469	F	96.3	Very high	95.4	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-67.2	11.7	173.1	-65.7	-88.2	0	0	0	114.5	E349 V352 L353 I356 C367 V368 L422 H429 V466 S471 A472	E349-F469 HydrophobicContact CG-CB 4.34Å; V352-F469 HydrophobicContact CG1-CB 4.07Å; V352-F469 HydrophobicContact CG1-CD1 3.97Å; V352-F469 HydrophobicContact CG1-CG 4.3Å; L353-F469 HydrophobicContact CD2-CB 4.4Å; L353-F469 HydrophobicContact CD2-CD2 3.63Å; L353-F469 HydrophobicContact CD2-CE2 4.27Å; L353-F469 HydrophobicContact CD2-CG 4.2Å; I356-F469 HydrophobicContact CD1-CD1 3.56Å; I356-F469 HydrophobicContact CD1-CD2 4.42Å; I356-F469 HydrophobicContact CD1-CE1 3.31Å; I356-F469 HydrophobicContact CD1-CE2 4.22Å; I356-F469 HydrophobicContact CD1-CG 4.12Å; I356-F469 HydrophobicContact CD1-CZ 3.7Å; C367-F469 HydrophobicContact CB-CE2 4.19Å; C367-F469 HydrophobicContact CB-CZ 3.73Å; V368-F469 HydrophobicContact CG2-CD2 4.25Å; V368-F469 HydrophobicContact CG2-CE2 3.99Å; L422-F469 HydrophobicContact CD1-CE1 3.66Å; L422-F469 HydrophobicContact CD1-CZ 4.48Å; L422-F469 HydrophobicContact CD2-CE1 4.03Å; H429-F469 AromaticContact CD2-CD1 3.88Å; H429-F469 AromaticContact CD2-CE1 3.74Å; V466-F469 HydrophobicContact CG1-CZ 4.38Å; V466-F469 WeakPolarHBondContact O-CE2 3.38Å; F469-S471 PolarHBondContact O-N 3.42Å; F469-A472 HydrophobicContact CB-CB 4.23Å; F469-A472 HydrophobicContact CD1-CB 4.19Å; F469-A472 WeakPolarHBondContact O-CB 3.5Å; F469-A472 PolarHBondContact O-N 3.3Å; F469-A472 VanDerWaalsContact O-N 3.09Å
470	G	93.1	Very high	95.1	Very high	29 Å²	29	48.6 Å²	48.6	30%	0.299	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-67.7	-12.1	-177.8	0	0	0	0	0	115.3	D468	D468-G470 PolarHBondContact O-N 3.08Å
471	S	94.2	Very high	94.9	Very high	47 Å²	47	46 Å²	46	33%	0.329	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-116.1	6.1	172	-53.2	0	0	0	0	113.1	H429 T430 F469 T473	H429-S471 CarbonylContact O-C 3.41Å; T430-S471 WeakPolarHBondContact CG2-O 3.19Å; T430-S471 WeakPolarHBondContact OG1-CB 3.32Å; T430-S471 PolarHBondContact OG1-O 3.38Å; F469-S471 PolarHBondContact O-N 3.42Å; S471-T473 PolarHBondContact O-OG1 2.94Å
472	A	96.1	Very high	94.8	Very high	11 Å²	11	46.2 Å²	46.2	9%	0.091	25%	0.252	C	S	.	.			trans	-68.1	140.1	178.5	0	0	0	0	0	110.5	V352 L427 T428 F469	V352-A472 HydrophobicContact CG1-CB 4.03Å; V352-A472 HydrophobicContact CG2-CB 4.35Å; L427-A472 HydrophobicContact CD1-CB 4.25Å; L427-A472 HydrophobicContact CD2-CB 4.11Å; L427-A472 HydrophobicContact CG-CB 4.3Å; T428-A472 CarbonylContact O-C 3.55Å; T428-A472 VanDerWaalsContact O-CA 3.26Å; T428-A472 WeakPolarHBondContact O-CA 3.18Å; F469-A472 HydrophobicContact CB-CB 4.23Å; F469-A472 HydrophobicContact CD1-CB 4.19Å; F469-A472 WeakPolarHBondContact O-CB 3.5Å; F469-A472 PolarHBondContact O-N 3.3Å; F469-A472 VanDerWaalsContact O-N 3.09Å
473	T	95.8	Very high	94.7	Very high	14 Å²	14	46.1 Å²	46.1	9%	0.086	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.1	-173.4	-52.9	0	0	0	0	109.3	L427 T428 S471 E477 W499	L427-T473 WeakPolarHBondContact CA-O 3.41Å; T428-T473 PolarHBondContact N-O 2.93Å; T428-T473 PolarHBondContact O-N 3.19Å; S471-T473 PolarHBondContact O-OG1 2.94Å; T473-E477 HydrophobicContact CG2-CB 3.94Å; T473-W499 HydrophobicContact CG2-CH2 4.13Å
474	F	95.6	Very high	94.6	Very high	32 Å²	32	44.9 Å²	44.9	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	151.7	171.3	-69.8	-83.1	0	0	0	111.9	V352 K355 Q426 L427 H476 E477 H479	V352-F474 HydrophobicContact CG2-CD2 4.47Å; V352-F474 HydrophobicContact CG2-CE2 3.81Å; V352-F474 HydrophobicContact CG2-CZ 4.38Å; K355-F474 HydrophobicContact CB-CZ 4.13Å; K355-F474 HydrophobicContact CG-CE1 4.37Å; K355-F474 HydrophobicContact CG-CZ 4.13Å; Q426-F474 CarbonylContact O-C 3.5Å; Q426-F474 WeakPolarHBondContact O-CA 3.27Å; Q426-F474 WeakPolarHBondContact O-CD1 3.49Å; L427-F474 HydrophobicContact CB-CD1 4.15Å; L427-F474 HydrophobicContact CB-CE1 4.25Å; L427-F474 HydrophobicContact CD1-CD1 3.69Å; L427-F474 HydrophobicContact CD1-CD2 3.88Å; L427-F474 HydrophobicContact CD1-CE1 3.63Å; L427-F474 HydrophobicContact CD1-CE2 3.82Å; L427-F474 HydrophobicContact CD1-CG 3.81Å; L427-F474 HydrophobicContact CD1-CZ 3.7Å; F474-H476 VanDerWaalsContact CB-CE1 3.47Å; F474-H476 WeakPolarHBondContact CB-CE1 3.36Å; F474-H476 AromaticContact CG-CE1 3.87Å; F474-H476 PolarHBondContact O-N 3.21Å; F474-E477 HydrophobicContact CB-CG 4.07Å; F474-E477 WeakPolarHBondContact CD2-OE2 3.39Å; F474-E477 PolarHBondContact N-OE2 2.95Å; F474-E477 WeakPolarHBondContact O-CB 3.21Å; F474-E477 PolarHBondContact O-N 3.17Å; F474-H479 PolarHBondContact O-CE1 3.41Å
475	D	95.3	Very high	94.4	Very high	68 Å²	68	46.8 Å²	46.8	36%	0.364	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.7	-177.6	-62.6	2.1	0	0	0	114.3	Q426 Q501	Q426-D475 VanDerWaalsContact C-OD1 3.24Å; Q426-D475 WeakPolarHBondContact CA-OD2 3.18Å; Q426-D475 HydrophobicContact CB-CB 4.17Å; Q426-D475 WeakPolarHBondContact CB-OD2 3.39Å; Q426-D475 PolarHBondContact O-N 2.77Å; Q426-D475 VanDerWaalsContact O-OD1 3.13Å; D475-Q501 VanDerWaalsContact CG-NE2 3.27Å; D475-Q501 PolarHBondContact OD1-NE2 3.29Å; D475-Q501 PolarHBondContact OD2-NE2 3.09Å
476	H	92.2	Very high	94.3	Very high	155 Å²	155	48.1 Å²	48.1	72%	0.718	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-1.9	179.5	68.6	-84.2	0	0	0	114.3	F474	F474-H476 VanDerWaalsContact CB-CE1 3.47Å; F474-H476 WeakPolarHBondContact CB-CE1 3.36Å; F474-H476 AromaticContact CG-CE1 3.87Å; F474-H476 PolarHBondContact O-N 3.21Å
477	E	91.6	Very high	94.3	Very high	65 Å²	65	49.9 Å²	49.9	30%	0.304	27%	0.267	S	S	.	.	S	Bend	trans	-91.8	169.8	179.6	-70.9	179.4	138.4	0	0	112.3	T473 F474 H479	T473-E477 HydrophobicContact CG2-CB 3.94Å; F474-E477 HydrophobicContact CB-CG 4.07Å; F474-E477 WeakPolarHBondContact CD2-OE2 3.39Å; F474-E477 PolarHBondContact N-OE2 2.95Å; F474-E477 WeakPolarHBondContact O-CB 3.21Å; F474-E477 PolarHBondContact O-N 3.17Å; E477-H479 PolarHBondContact O-N 3.27Å; E477-H479 VanDerWaalsContact O-N 3.1Å; E477-H479 PolarHBondContact O-ND1 2.53Å
478	H	89.5	Confident	94.4	Very high	154 Å²	154	49.5 Å²	49.5	71%	0.713	26%	0.263	S	S	*	.			trans	-69.8	108.5	177.2	176.4	71.2	0	0	0	111.7	T480	H478-T480 PolarHBondContact O-N 3.4Å; H478-T480 VanDerWaalsContact O-N 3.16Å
479	H	90.9	Very high	94.6	Very high	54 Å²	54	49 Å²	49	25%	0.25	26%	0.258	C	S	.	.			trans	-72.6	105	176.9	-71.9	52.3	0	0	0	110.9	F474 E477 W499	F474-H479 PolarHBondContact O-CE1 3.41Å; E477-H479 PolarHBondContact O-N 3.27Å; E477-H479 VanDerWaalsContact O-N 3.1Å; E477-H479 PolarHBondContact O-ND1 2.53Å; H479-W499 HydrophobicContact CB-CH2 4.14Å; H479-W499 HydrophobicContact CB-CZ2 3.74Å; H479-W499 AromaticContact CD2-CE3 3.75Å; H479-W499 AromaticContact CD2-CH2 3.54Å; H479-W499 AromaticContact CD2-CZ2 3.88Å; H479-W499 AromaticContact CD2-CZ3 3.47Å; H479-W499 VanDerWaalsContact CD2-CZ3 3.47Å; H479-W499 WeakPolarHBondContact CD2-CZ3 3.38Å; H479-W499 PolarHBondContact CD2-O 2.93Å; H479-W499 AromaticContact CG-CH2 3.96Å; H479-W499 AromaticContact NE2-CZ3 3.97Å
480	T	90.9	Very high	94.7	Very high	70 Å²	70	48.9 Å²	48.9	43%	0.429	26%	0.258	S	S	.	.			trans	-63.1	139.9	177.8	70.9	0	0	0	0	111.2	H478 I482 V483 W499	H478-T480 PolarHBondContact O-N 3.4Å; H478-T480 VanDerWaalsContact O-N 3.16Å; T480-I482 VanDerWaalsContact C-N 3.34Å; T480-I482 PolarHBondContact O-N 3.36Å; T480-V483 WeakPolarHBondContact OG1-CG1 3.23Å; T480-W499 WeakPolarHBondContact O-CZ2 3.34Å; T480-W499 PolarHBondContact O-NE1 3.1Å
481	T	92.5	Very high	95	Very high	66 Å²	66	47.5 Å²	47.5	41%	0.405	24%	0.244	S	C	.	.	S	Bend	trans	-65.6	-31.6	-165.9	-46.2	0	0	0	0	114.6	E496	T481-E496 HydrophobicContact CG2-CB 4.17Å; T481-E496 HydrophobicContact CG2-CG 3.88Å
482	I	93.8	Very high	95.2	Very high	77 Å²	77	45.4 Å²	45.4	40%	0.395	23%	0.228	S	C	.	.	S	Bend	trans	-127.8	95.8	-175	-56.1	-66	0	0	0	109.4	T480 V493 E496	T480-I482 VanDerWaalsContact C-N 3.34Å; T480-I482 PolarHBondContact O-N 3.36Å; I482-V493 HydrophobicContact CD1-CG1 4.49Å; I482-E496 HydrophobicContact CD1-CG 4.14Å
483	V	95.4	Very high	95.3	Very high	11 Å²	11	44.9 Å²	44.9	7%	0.067	22%	0.224	C	C	.	.			trans	-100.8	-175.6	172.4	-64.8	0	0	0	0	111.7	T430 T480 R489 V493 W499	T430-V483 HydrophobicContact CG2-CG1 4.43Å; T480-V483 WeakPolarHBondContact OG1-CG1 3.23Å; V483-R489 PolarHBondContact O-NE 2.92Å; V483-R489 PolarHBondContact O-NH2 3.02Å; V483-V493 HydrophobicContact CG2-CG1 4.16Å; V483-V493 HydrophobicContact CG2-CG2 3.92Å; V483-W499 HydrophobicContact CB-CZ2 4.43Å; V483-W499 HydrophobicContact CG1-CH2 4.06Å; V483-W499 HydrophobicContact CG1-CZ2 3.43Å; V483-W499 VanDerWaalsContact CG1-CZ2 3.43Å; V483-W499 HydrophobicContact CG2-CD2 3.9Å; V483-W499 HydrophobicContact CG2-CE3 4.44Å; V483-W499 HydrophobicContact CG2-CG 4.19Å; V483-W499 HydrophobicContact CG2-CZ2 4.15Å
484	A	95.3	Very high	95.4	Very high	8 Å²	8	44.2 Å²	44.2	7%	0.066	22%	0.22	C	C	.	.	S	Bend	trans	60.2	142.3	-179.2	0	0	0	0	0	116.6	T430 R489	T430-A484 WeakPolarHBondContact O-CA 3.4Å; T430-A484 VanDerWaalsContact O-CB 3.25Å; T430-A484 WeakPolarHBondContact O-CB 3.26Å; T430-A484 PolarHBondContact O-N 2.91Å; A484-R489 HydrophobicContact CB-CB 3.93Å; A484-R489 HydrophobicContact CB-CG 4.26Å; A484-R489 PolarHBondContact O-NE 2.81Å; A484-R489 PolarHBondContact O-NH2 2.86Å
485	T	95.4	Very high	95.6	Very high	43 Å²	43	42.7 Å²	42.7	26%	0.264	21%	0.214	S	C	.	.			trans	-63.2	140.9	166.7	-68.6	0	0	0	0	110.4	D431 K433 H487 Y488 R489	D431-T485 VanDerWaalsContact OD1-CB 3.26Å; D431-T485 WeakPolarHBondContact OD1-CB 3.22Å; D431-T485 PolarHBondContact OD1-N 2.87Å; D431-T485 PolarHBondContact OD1-OG1 3.4Å; D431-T485 PolarHBondContact OD2-OG1 2.81Å; K433-T485 HydrophobicContact CD-CG2 4.23Å; T485-H487 VanDerWaalsContact C-N 3.31Å; T485-H487 PolarHBondContact O-N 3.09Å; T485-Y488 HydrophobicContact CG2-CD2 4.09Å; T485-Y488 HydrophobicContact CG2-CE2 3.92Å; T485-Y488 PolarHBondContact O-N 3.18Å; T485-R489 PolarHBondContact O-N 3.02Å
486	R	96.9	Very high	95.7	Very high	47 Å²	47	41.1 Å²	41.1	18%	0.177	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-43.6	-45.2	-163.6	163.1	61.8	79.6	-165	3.2	115.4	Y488 T524 H525 E526 N527 H530	R486-Y488 VanDerWaalsContact C-N 3.34Å; R486-T524 WeakPolarHBondContact CD-O 3.45Å; R486-T524 WeakPolarHBondContact CG-O 3.38Å; R486-H525 VanDerWaalsContact CZ-O 3.26Å; R486-H525 VanDerWaalsContact NE-C 3.33Å; R486-H525 PolarHBondContact NE-O 2.89Å; R486-H525 PolarHBondContact NH2-O 3.31Å; R486-E526 PolarHBondContact NH1-O 3.43Å; R486-E526 VanDerWaalsContact NH1-O 3.08Å; R486-N527 PolarHBondContact NH1-OD1 3.39Å; R486-N527 PolarHBondContact NH2-OD1 2.93Å; R486-H530 PolarHBondContact O-CE1 2.67Å; R486-H530 VanDerWaalsContact O-CE1 3.3Å
487	H	98.2	Very high	96	Very high	39 Å²	39	35.8 Å²	35.8	18%	0.181	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-78.6	-16.1	-171.8	-40.2	125.8	0	0	0	113.9	T485 T520 F522 H525	T485-H487 VanDerWaalsContact C-N 3.31Å; T485-H487 PolarHBondContact O-N 3.09Å; H487-T520 HydrophobicContact CB-CG2 4.1Å; H487-F522 PolarHBondContact CD2-O 3.45Å; H487-H525 AromaticContact NE2-CE1 3.52Å; H487-H525 AromaticContact NE2-ND1 3.72Å
488	Y	98.7	Very high	96.3	Very high	4 Å²	4	35 Å²	35	2%	0.016	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-111.2	0.3	-177.3	-37.5	-72.1	0	0	0	111.9	K433 P434 T485 R486 S507 C510 I511 E514	K433-Y488 HydrophobicContact CB-CD2 3.58Å; K433-Y488 HydrophobicContact CB-CE2 3.32Å; K433-Y488 HydrophobicContact CB-CG 4.44Å; P434-Y488 VanDerWaalsContact CD-OH 3.23Å; P434-Y488 WeakPolarHBondContact CD-OH 3.21Å; P434-Y488 HydrophobicContact CG-CE1 4.32Å; T485-Y488 HydrophobicContact CG2-CD2 4.09Å; T485-Y488 HydrophobicContact CG2-CE2 3.92Å; T485-Y488 PolarHBondContact O-N 3.18Å; R486-Y488 VanDerWaalsContact C-N 3.34Å; Y488-S507 PolarHBondContact O-OG 2.97Å; Y488-C510 HydrophobicContact CD1-CB 3.86Å; Y488-I511 HydrophobicContact CD1-CG1 4.02Å; Y488-I511 HydrophobicContact CE1-CG1 4.27Å; Y488-E514 WeakPolarHBondContact CE1-OE2 3.2Å; Y488-E514 PolarHBondContact OH-OE2 2.97Å
489	R	98.7	Very high	96.7	Very high	33 Å²	33	28.8 Å²	28.8	13%	0.125	16%	0.16	C	C	.	.			trans	-73.4	127.9	-176.4	-176.7	-177.8	-68	149.6	2.2	111.8	V483 A484 T485 V493 I494	V483-R489 PolarHBondContact O-NE 2.92Å; V483-R489 PolarHBondContact O-NH2 3.02Å; A484-R489 HydrophobicContact CB-CB 3.93Å; A484-R489 HydrophobicContact CB-CG 4.26Å; A484-R489 PolarHBondContact O-NE 2.81Å; A484-R489 PolarHBondContact O-NH2 2.86Å; T485-R489 PolarHBondContact O-N 3.02Å; R489-V493 HydrophobicContact CG-CB 3.85Å; R489-V493 HydrophobicContact CG-CG1 3.78Å; R489-I494 HydrophobicContact CG-CG1 3.97Å
490	P	98.8	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.			trans	-78.3	163	-177.2	36	-41.6	0	0	0	113.6	E492 V493 I494 C503 W506	P490-E492 VanDerWaalsContact CB-OE1 3.31Å; P490-E492 WeakPolarHBondContact CB-OE1 3.45Å; P490-E492 HydrophobicContact CG-CG 4.46Å; P490-E492 VanDerWaalsContact CG-OE1 3.32Å; P490-E492 WeakPolarHBondContact CG-OE1 3.41Å; P490-E492 PolarHBondContact O-N 3.16Å; P490-V493 HydrophobicContact CG-CB 4.12Å; P490-V493 HydrophobicContact CG-CG2 3.59Å; P490-V493 PolarHBondContact O-N 2.69Å; P490-I494 PolarHBondContact O-N 3.08Å; P490-C503 HydrophobicContact CG-CB 4.14Å; P490-W506 HydrophobicContact CB-CB 3.78Å; P490-W506 HydrophobicContact CB-CD2 3.97Å; P490-W506 HydrophobicContact CB-CG 3.56Å
491	P	98.8	Very high	97.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.1	-39.3	-179	22.1	-33.5	0	0	0	113.3	V493 I494 L495 W506 M534 M545 F603	P491-V493 VanDerWaalsContact C-N 3.28Å; P491-V493 PolarHBondContact O-N 3.41Å; P491-I494 PolarHBondContact O-N 3.19Å; P491-I494 VanDerWaalsContact O-N 3.15Å; P491-L495 VanDerWaalsContact O-CB 3.28Å; P491-L495 WeakPolarHBondContact O-CB 3.35Å; P491-L495 VanDerWaalsContact O-CG 3.27Å; P491-L495 WeakPolarHBondContact O-CG 3.05Å; P491-L495 PolarHBondContact O-N 2.97Å; P491-W506 HydrophobicContact CG-CE3 4.27Å; P491-W506 HydrophobicContact CG-CH2 4.04Å; P491-W506 HydrophobicContact CG-CZ3 3.87Å; P491-M534 HydrophobicContact CB-SD 3.97Å; P491-M534 HydrophobicContact CG-SD 4.39Å; P491-M545 HydrophobicContact CB-CE 4.34Å; P491-M545 HydrophobicContact CG-CE 4.43Å; P491-F603 HydrophobicContact CB-CD1 4.12Å; P491-F603 HydrophobicContact CG-CD1 3.95Å
492	E	98.8	Very high	97.7	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.009	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-29.6	-179.9	66.9	-81.5	-176.4	0	0	113.7	P490 E496 L497 G498 W499 M545 P605 R608	P490-E492 VanDerWaalsContact CB-OE1 3.31Å; P490-E492 WeakPolarHBondContact CB-OE1 3.45Å; P490-E492 HydrophobicContact CG-CG 4.46Å; P490-E492 VanDerWaalsContact CG-OE1 3.32Å; P490-E492 WeakPolarHBondContact CG-OE1 3.41Å; P490-E492 PolarHBondContact O-N 3.16Å; E492-E496 WeakPolarHBondContact O-CA 3.39Å; E492-E496 PolarHBondContact O-N 2.66Å; E492-L497 HydrophobicContact CB-CB 4.21Å; E492-L497 PolarHBondContact O-N 3.2Å; E492-G498 WeakPolarHBondContact CB-O 3.35Å; E492-G498 WeakPolarHBondContact CG-O 3.27Å; E492-W499 HydrophobicContact CG-CB 4.3Å; E492-M545 HydrophobicContact CB-CE 4.37Å; E492-P605 HydrophobicContact CB-CG 4.14Å; E492-P605 HydrophobicContact CG-CB 4.34Å; E492-P605 HydrophobicContact CG-CG 4Å; E492-R608 IonicContact OE1-CZ 3.58Å; E492-R608 IonicContact OE1-NH1 2.69Å; E492-R608 PolarHBondContact OE1-NH1 2.87Å; E492-R608 IonicContact OE1-NH2 2.66Å; E492-R608 IonicContact OE2-CZ 3.58Å; E492-R608 IonicContact OE2-NH1 3.19Å; E492-R608 PolarHBondContact OE2-NH1 3.45Å; E492-R608 IonicContact OE2-NH2 3.41Å; E492-R608 PolarHBondContact OE2-NH2 3.13Å
493	V	98.6	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-75.8	-39.4	173.5	178.8	0	0	0	0	110.8	I482 V483 R489 P490 P491 L495 E496 W499	I482-V493 HydrophobicContact CD1-CG1 4.49Å; V483-V493 HydrophobicContact CG2-CG1 4.16Å; V483-V493 HydrophobicContact CG2-CG2 3.92Å; R489-V493 HydrophobicContact CG-CB 3.85Å; R489-V493 HydrophobicContact CG-CG1 3.78Å; P490-V493 HydrophobicContact CG-CB 4.12Å; P490-V493 HydrophobicContact CG-CG2 3.59Å; P490-V493 PolarHBondContact O-N 2.69Å; P491-V493 VanDerWaalsContact C-N 3.28Å; P491-V493 PolarHBondContact O-N 3.41Å; V493-L495 VanDerWaalsContact C-N 3.33Å; V493-E496 PolarHBondContact O-N 3.32Å; V493-W499 HydrophobicContact CG2-CB 3.66Å; V493-W499 HydrophobicContact CG2-CG 3.8Å
494	I	98.6	Very high	98.1	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-67.1	-37.9	177.6	-60	167.6	0	0	0	111.2	R489 P490 P491 E496 N527 H530 L531 M534	R489-I494 HydrophobicContact CG-CG1 3.97Å; P490-I494 PolarHBondContact O-N 3.08Å; P491-I494 PolarHBondContact O-N 3.19Å; P491-I494 VanDerWaalsContact O-N 3.15Å; I494-E496 VanDerWaalsContact C-N 3.35Å; I494-N527 HydrophobicContact CG2-CB 3.93Å; I494-H530 HydrophobicContact CD1-CB 4.41Å; I494-H530 VanDerWaalsContact CD1-ND1 3.29Å; I494-H530 WeakPolarHBondContact CD1-ND1 3.39Å; I494-L531 HydrophobicContact CB-CD2 4.44Å; I494-L531 HydrophobicContact CG2-CD1 4.02Å; I494-L531 HydrophobicContact CG2-CD2 4.12Å; I494-L531 HydrophobicContact CG2-CG 4Å; I494-M534 HydrophobicContact CD1-CE 3.54Å
495	L	98.4	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.6	177.6	-62.6	179.3	0	0	0	113.2	P491 V493 L497 L531 I541 M545 T549 F555	P491-L495 VanDerWaalsContact O-CB 3.28Å; P491-L495 WeakPolarHBondContact O-CB 3.35Å; P491-L495 VanDerWaalsContact O-CG 3.27Å; P491-L495 WeakPolarHBondContact O-CG 3.05Å; P491-L495 PolarHBondContact O-N 2.97Å; V493-L495 VanDerWaalsContact C-N 3.33Å; L495-L497 VanDerWaalsContact C-N 3.34Å; L495-L497 HydrophobicContact CB-CD1 3.93Å; L495-L497 HydrophobicContact CB-CG 3.87Å; L495-L497 HydrophobicContact CD1-CD1 4.18Å; L495-L497 PolarHBondContact O-N 2.94Å; L495-L531 HydrophobicContact CD2-CD1 3.72Å; L495-L531 HydrophobicContact CD2-CD2 4.17Å; L495-L531 HydrophobicContact CG-CD2 4.22Å; L495-I541 HydrophobicContact CD1-CG2 4.44Å; L495-M545 HydrophobicContact CD1-CB 4.32Å; L495-M545 HydrophobicContact CD1-CE 4.4Å; L495-T549 HydrophobicContact CD2-CG2 4.22Å; L495-T549 WeakPolarHBondContact O-CB 3.2Å; L495-T549 PolarHBondContact O-OG1 2.88Å; L495-F555 HydrophobicContact CD2-CE2 3.86Å; L495-F555 HydrophobicContact CD2-CZ 3.9Å
496	E	98.2	Very high	98.5	Very high	35 Å²	35	18.3 Å²	18.3	16%	0.164	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	44.4	177.8	-53.9	171.7	133.9	0	0	113.4	T481 I482 E492 V493 I494 G498 R550 K551	T481-E496 HydrophobicContact CG2-CB 4.17Å; T481-E496 HydrophobicContact CG2-CG 3.88Å; I482-E496 HydrophobicContact CD1-CG 4.14Å; E492-E496 WeakPolarHBondContact O-CA 3.39Å; E492-E496 PolarHBondContact O-N 2.66Å; V493-E496 PolarHBondContact O-N 3.32Å; I494-E496 VanDerWaalsContact C-N 3.35Å; E496-G498 VanDerWaalsContact C-N 3.3Å; E496-R550 VanDerWaalsContact CD-NE 3.32Å; E496-R550 IonicContact OE1-CZ 3.69Å; E496-R550 IonicContact OE1-NE 2.81Å; E496-R550 IonicContact OE1-NH2 3.73Å; E496-R550 PolarHBondContact OE1-NH2 3.01Å; E496-R550 WeakPolarHBondContact OE2-CG 3.27Å; E496-R550 IonicContact OE2-CZ 3.37Å; E496-R550 IonicContact OE2-NE 3.23Å; E496-R550 PolarHBondContact OE2-NE 3.38Å; E496-R550 IonicContact OE2-NH2 2.73Å; E496-R550 PolarHBondContact OE2-NH2 3.19Å; E496-K551 IonicContact OE1-NZ 2.72Å; E496-K551 PolarHBondContact OE1-NZ 2.83Å; E496-K551 WeakPolarHBondContact OE2-CD 3.39Å; E496-K551 WeakPolarHBondContact OE2-CE 3.44Å; E496-K551 IonicContact OE2-NZ 3.45Å; E496-K551 PolarHBondContact OE2-NZ 3.05Å
497	L	98.2	Very high	98.6	Very high	43 Å²	43	16 Å²	16	23%	0.225	10%	0.095	C	C	.	.	S	Bend	trans	-88.9	5.9	-178.6	-64	173.9	0	0	0	113.5	E492 L495 M545 R548	E492-L497 HydrophobicContact CB-CB 4.21Å; E492-L497 PolarHBondContact O-N 3.2Å; L495-L497 VanDerWaalsContact C-N 3.34Å; L495-L497 HydrophobicContact CB-CD1 3.93Å; L495-L497 HydrophobicContact CB-CG 3.87Å; L495-L497 HydrophobicContact CD1-CD1 4.18Å; L495-L497 PolarHBondContact O-N 2.94Å; L497-M545 HydrophobicContact CD1-CB 3.8Å; L497-M545 HydrophobicContact CD1-CE 3.76Å; L497-M545 HydrophobicContact CD1-CG 4.09Å; L497-R548 HydrophobicContact CD2-CB 3.58Å
498	G	97.3	Very high	98.6	Very high	47 Å²	47	14.2 Å²	14.2	49%	0.485	9%	0.086	S	C	.	.			trans	86.1	162.4	-159.8	0	0	0	0	0	111.5	E492 E496	E492-G498 WeakPolarHBondContact CB-O 3.35Å; E492-G498 WeakPolarHBondContact CG-O 3.27Å; E496-G498 VanDerWaalsContact C-N 3.3Å
499	W	98.5	Very high	98.6	Very high	24 Å²	24	14 Å²	14	9%	0.091	9%	0.085	C	C	.	.			trans	-152	160.3	176.8	57.6	-97.6	0	0	0	109.3	T428 T430 T473 H479 T480 V483 E492 V493 C503	T428-W499 HydrophobicContact CG2-CE3 4.35Å; T428-W499 HydrophobicContact CG2-CZ3 4.15Å; T430-W499 HydrophobicContact CG2-CE3 4.35Å; T430-W499 HydrophobicContact CG2-CH2 3.6Å; T430-W499 HydrophobicContact CG2-CZ3 3.49Å; T430-W499 VanDerWaalsContact CG2-CZ3 3.49Å; T473-W499 HydrophobicContact CG2-CH2 4.13Å; H479-W499 HydrophobicContact CB-CH2 4.14Å; H479-W499 HydrophobicContact CB-CZ2 3.74Å; H479-W499 AromaticContact CD2-CE3 3.75Å; H479-W499 AromaticContact CD2-CH2 3.54Å; H479-W499 AromaticContact CD2-CZ2 3.88Å; H479-W499 AromaticContact CD2-CZ3 3.47Å; H479-W499 VanDerWaalsContact CD2-CZ3 3.47Å; H479-W499 WeakPolarHBondContact CD2-CZ3 3.38Å; H479-W499 PolarHBondContact CD2-O 2.93Å; H479-W499 AromaticContact CG-CH2 3.96Å; H479-W499 AromaticContact NE2-CZ3 3.97Å; T480-W499 WeakPolarHBondContact O-CZ2 3.34Å; T480-W499 PolarHBondContact O-NE1 3.1Å; V483-W499 HydrophobicContact CB-CZ2 4.43Å; V483-W499 HydrophobicContact CG1-CH2 4.06Å; V483-W499 HydrophobicContact CG1-CZ2 3.43Å; V483-W499 VanDerWaalsContact CG1-CZ2 3.43Å; V483-W499 HydrophobicContact CG2-CD2 3.9Å; V483-W499 HydrophobicContact CG2-CE3 4.44Å; V483-W499 HydrophobicContact CG2-CG 4.19Å; V483-W499 HydrophobicContact CG2-CZ2 4.15Å; E492-W499 HydrophobicContact CG-CB 4.3Å; V493-W499 HydrophobicContact CG2-CB 3.66Å; V493-W499 HydrophobicContact CG2-CG 3.8Å; W499-C503 HydrophobicContact CB-CB 4.45Å
500	A	98.3	Very high	98.6	Very high	32 Å²	32	12.5 Å²	12.5	26%	0.264	8%	0.08	S	C	.	.			trans	-158.2	-154.7	177.4	0	0	0	0	0	108.1	P502 C503	A500-P502 VanDerWaalsContact C-N 3.3Å; A500-P502 WeakPolarHBondContact O-CD 3.35Å; A500-C503 WeakPolarHBondContact O-CB 3.17Å; A500-C503 PolarHBondContact O-N 3.1Å
501	Q	98.6	Very high	98.6	Very high	41 Å²	41	12.5 Å²	12.5	19%	0.192	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-38	-179.8	-63.5	86.9	-8.1	0	0	115.8	H423 T428 D475 C503 D504	H423-Q501 HydrophobicContact CB-CB 4.3Å; H423-Q501 HydrophobicContact CB-CG 3.81Å; H423-Q501 PolarHBondContact CE1-O 3.17Å; H423-Q501 VanDerWaalsContact CE1-O 3.3Å; T428-Q501 PolarHBondContact OG1-N 3.29Å; D475-Q501 VanDerWaalsContact CG-NE2 3.27Å; D475-Q501 PolarHBondContact OD1-NE2 3.29Å; D475-Q501 PolarHBondContact OD2-NE2 3.09Å; Q501-C503 PolarHBondContact O-N 3.11Å; Q501-D504 PolarHBondContact O-N 3.15Å; Q501-D504 VanDerWaalsContact O-N 3.1Å
502	P	98.8	Very high	98.6	Very high	33 Å²	33	12.5 Å²	12.5	21%	0.214	8%	0.08	C	C	.	.	H	α-helix	trans	-58.6	-18.2	176.7	-27.4	37.4	0	0	0	115.3	A500 D504 V505 W506 P605 R608	A500-P502 VanDerWaalsContact C-N 3.3Å; A500-P502 WeakPolarHBondContact O-CD 3.35Å; P502-D504 VanDerWaalsContact C-N 3.33Å; P502-V505 PolarHBondContact O-N 3.07Å; P502-W506 PolarHBondContact O-N 2.87Å; P502-P605 HydrophobicContact CB-CB 3.7Å; P502-P605 HydrophobicContact CG-CB 4.16Å; P502-P605 WeakPolarHBondContact CG-O 3.4Å; P502-R608 WeakPolarHBondContact O-CD 3.24Å; P502-R608 PolarHBondContact O-NH1 3.47Å
503	C	98.6	Very high	98.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.5	-40.3	174.3	179.8	0	0	0	0	112	P490 W499 A500 Q501 V505 S507	P490-C503 HydrophobicContact CG-CB 4.14Å; W499-C503 HydrophobicContact CB-CB 4.45Å; A500-C503 WeakPolarHBondContact O-CB 3.17Å; A500-C503 PolarHBondContact O-N 3.1Å; Q501-C503 PolarHBondContact O-N 3.11Å; C503-V505 VanDerWaalsContact C-N 3.34Å; C503-S507 PolarHBondContact O-N 2.91Å; C503-S507 PolarHBondContact O-OG 2.86Å
504	D	98.9	Very high	98.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-68.5	-35.5	177.8	-68.1	-20.6	0	0	0	111.1	H423 T428 H429 T430 L432 Q501 P502 S507 I508	H423-D504 IonicContact CD2-OD2 2.77Å; H423-D504 IonicContact CE1-OD2 3.58Å; H423-D504 IonicContact NE2-OD2 3.6Å; H423-D504 PolarHBondContact NE2-OD2 3.12Å; T428-D504 WeakPolarHBondContact CG2-OD2 3.28Å; H429-D504 PolarHBondContact N-OD1 3.36Å; H429-D504 PolarHBondContact N-OD2 3.03Å; T430-D504 PolarHBondContact N-OD1 2.89Å; L432-D504 HydrophobicContact CD1-CB 3.63Å; Q501-D504 PolarHBondContact O-N 3.15Å; Q501-D504 VanDerWaalsContact O-N 3.1Å; P502-D504 VanDerWaalsContact C-N 3.33Å; D504-S507 WeakPolarHBondContact O-CB 3.45Å; D504-S507 PolarHBondContact O-N 3.4Å; D504-I508 WeakPolarHBondContact O-CG1 3.18Å; D504-I508 PolarHBondContact O-N 3.34Å
505	V	98.9	Very high	98.7	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.018	8%	0.08	C	C	.	.	H	α-helix	trans	-62.7	-46.4	178.5	-175.2	0	0	0	0	111.5	P502 C503 S507 I508 G509 M600 R608 I609 L611	P502-V505 PolarHBondContact O-N 3.07Å; C503-V505 VanDerWaalsContact C-N 3.34Å; V505-S507 VanDerWaalsContact C-N 3.29Å; V505-S507 PolarHBondContact O-N 3.34Å; V505-I508 PolarHBondContact O-N 3.47Å; V505-G509 PolarHBondContact O-N 3.02Å; V505-M600 HydrophobicContact CG1-CB 3.98Å; V505-M600 HydrophobicContact CG1-CG 3.77Å; V505-R608 HydrophobicContact CB-CG 4.38Å; V505-R608 HydrophobicContact CG1-CG 4.05Å; V505-I609 HydrophobicContact CG1-CG2 4.04Å; V505-I609 WeakPolarHBondContact CG1-O 3.25Å; V505-L611 HydrophobicContact CG1-CD2 4.37Å; V505-L611 HydrophobicContact CG2-CD2 3.94Å; V505-L611 HydrophobicContact CG2-CG 3.99Å
506	W	98.9	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-40.3	175.2	178.3	-75.5	0	0	0	111.4	P490 P491 P502 I508 G509 C510 F522 M534 L538 L601	P490-W506 HydrophobicContact CB-CB 3.78Å; P490-W506 HydrophobicContact CB-CD2 3.97Å; P490-W506 HydrophobicContact CB-CG 3.56Å; P491-W506 HydrophobicContact CG-CE3 4.27Å; P491-W506 HydrophobicContact CG-CH2 4.04Å; P491-W506 HydrophobicContact CG-CZ3 3.87Å; P502-W506 PolarHBondContact O-N 2.87Å; W506-I508 VanDerWaalsContact C-N 3.34Å; W506-I508 PolarHBondContact O-N 3.4Å; W506-G509 PolarHBondContact O-N 3.01Å; W506-G509 VanDerWaalsContact O-N 3.16Å; W506-C510 PolarHBondContact NE1-SG 3.27Å; W506-C510 VanDerWaalsContact NE1-SG 3.4Å; W506-C510 PolarHBondContact O-N 3.27Å; W506-C510 PolarHBondContact O-SG 3.25Å; W506-C510 VanDerWaalsContact O-SG 3.34Å; W506-F522 AromaticContact CZ2-CE2 3.73Å; W506-F522 HydrophobicContact CZ2-CE2 3.73Å; W506-F522 AromaticContact CZ2-CZ 3.96Å; W506-F522 HydrophobicContact CZ2-CZ 3.96Å; W506-M534 HydrophobicContact CH2-CE 4.34Å; W506-M534 HydrophobicContact CH2-CG 4.24Å; W506-M534 HydrophobicContact CH2-SD 3.89Å; W506-M534 HydrophobicContact CZ2-CE 3.59Å; W506-M534 HydrophobicContact CZ2-CG 4.04Å; W506-M534 HydrophobicContact CZ2-SD 3.73Å; W506-L538 HydrophobicContact CH2-CD1 3.42Å; W506-L538 VanDerWaalsContact CH2-CD1 3.42Å; W506-L538 HydrophobicContact CZ2-CD1 4.17Å; W506-L538 HydrophobicContact CZ3-CD1 4.08Å; W506-L601 HydrophobicContact CD2-CD2 3.68Å; W506-L601 HydrophobicContact CE3-CB 4.39Å; W506-L601 HydrophobicContact CE3-CD2 3.98Å; W506-L601 HydrophobicContact CG-CD2 4.06Å; W506-L601 HydrophobicContact CH2-CD2 4.39Å; W506-L601 HydrophobicContact CZ2-CD2 4.09Å; W506-L601 HydrophobicContact CZ3-CB 4.24Å; W506-L601 HydrophobicContact CZ3-CD2 4.34Å; W506-L601 WeakPolarHBondContact CZ3-O 3.37Å
507	S	98.9	Very high	98.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.4	-45.7	176.6	-53.5	0	0	0	0	110.7	Y488 C503 D504 V505 C510 I511	Y488-S507 PolarHBondContact O-OG 2.97Å; C503-S507 PolarHBondContact O-N 2.91Å; C503-S507 PolarHBondContact O-OG 2.86Å; D504-S507 WeakPolarHBondContact O-CB 3.45Å; D504-S507 PolarHBondContact O-N 3.4Å; V505-S507 VanDerWaalsContact C-N 3.29Å; V505-S507 PolarHBondContact O-N 3.34Å; S507-C510 PolarHBondContact O-N 2.99Å; S507-I511 WeakPolarHBondContact O-CD1 3.27Å; S507-I511 WeakPolarHBondContact O-CG1 3.41Å; S507-I511 PolarHBondContact O-N 3.16Å
508	I	98.9	Very high	98.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.4	-46.7	173.1	-66.6	164.1	0	0	0	110.7	L415 L419 L432 D504 V505 W506 C510 I511 L512 M600 L611	L415-I508 HydrophobicContact CB-CD1 4.44Å; L419-I508 HydrophobicContact CB-CD1 4.27Å; L419-I508 HydrophobicContact CD2-CD1 4.35Å; L419-I508 HydrophobicContact CG-CD1 4.13Å; L432-I508 HydrophobicContact CD1-CD1 4.35Å; L432-I508 HydrophobicContact CD1-CG1 4.1Å; D504-I508 WeakPolarHBondContact O-CG1 3.18Å; D504-I508 PolarHBondContact O-N 3.34Å; V505-I508 PolarHBondContact O-N 3.47Å; W506-I508 VanDerWaalsContact C-N 3.34Å; W506-I508 PolarHBondContact O-N 3.4Å; I508-C510 VanDerWaalsContact C-N 3.26Å; I508-C510 PolarHBondContact O-N 3.32Å; I508-I511 WeakPolarHBondContact O-CB 3.35Å; I508-I511 PolarHBondContact O-N 2.94Å; I508-L512 HydrophobicContact CG2-CD1 4.21Å; I508-L512 HydrophobicContact CG2-CD2 4.44Å; I508-L512 HydrophobicContact CG2-CG 4.04Å; I508-L512 WeakPolarHBondContact O-CG 3.48Å; I508-L512 PolarHBondContact O-N 2.86Å; I508-M600 HydrophobicContact CB-SD 4.47Å; I508-M600 HydrophobicContact CG2-CE 3.8Å; I508-M600 HydrophobicContact CG2-SD 3.84Å; I508-L611 HydrophobicContact CD1-CD1 4.16Å; I508-L611 HydrophobicContact CD1-CD2 4.01Å
509	G	98.9	Very high	98.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-55.2	-39	176.9	0	0	0	0	0	113.7	V505 W506 F513	V505-G509 PolarHBondContact O-N 3.02Å; W506-G509 PolarHBondContact O-N 3.01Å; W506-G509 VanDerWaalsContact O-N 3.16Å; G509-F513 PolarHBondContact O-N 3.43Å
510	C	98.9	Very high	98.7	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.007	7%	0.069	C	C	.	.	H	α-helix	trans	-69.8	-40.4	173.8	-62.8	0	0	0	0	112.6	Y488 W506 S507 I508 F513 E514	Y488-C510 HydrophobicContact CD1-CB 3.86Å; W506-C510 PolarHBondContact NE1-SG 3.27Å; W506-C510 VanDerWaalsContact NE1-SG 3.4Å; W506-C510 PolarHBondContact O-N 3.27Å; W506-C510 PolarHBondContact O-SG 3.25Å; W506-C510 VanDerWaalsContact O-SG 3.34Å; S507-C510 PolarHBondContact O-N 2.99Å; I508-C510 VanDerWaalsContact C-N 3.26Å; I508-C510 PolarHBondContact O-N 3.32Å; C510-F513 PolarHBondContact O-N 2.98Å; C510-E514 PolarHBondContact O-N 3.47Å; C510-E514 VanDerWaalsContact O-N 3.12Å
511	I	98.9	Very high	98.7	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-65.4	-41.8	179	-69.8	161.5	0	0	0	111.4	L415 L432 P434 I437 Y488 S507 I508 F513 E514 Y515	L415-I511 HydrophobicContact CD1-CG2 4.28Å; L432-I511 HydrophobicContact CB-CD1 4.08Å; P434-I511 HydrophobicContact CG-CG1 4.24Å; P434-I511 HydrophobicContact CG-CG2 4.42Å; I437-I511 HydrophobicContact CD1-CD1 4Å; I437-I511 HydrophobicContact CD1-CG2 4.01Å; Y488-I511 HydrophobicContact CD1-CG1 4.02Å; Y488-I511 HydrophobicContact CE1-CG1 4.27Å; S507-I511 WeakPolarHBondContact O-CD1 3.27Å; S507-I511 WeakPolarHBondContact O-CG1 3.41Å; S507-I511 PolarHBondContact O-N 3.16Å; I508-I511 WeakPolarHBondContact O-CB 3.35Å; I508-I511 PolarHBondContact O-N 2.94Å; I511-F513 VanDerWaalsContact C-N 3.32Å; I511-F513 PolarHBondContact O-N 3.45Å; I511-E514 PolarHBondContact O-N 2.94Å; I511-Y515 HydrophobicContact CG2-CD1 4.32Å; I511-Y515 HydrophobicContact CG2-CD2 4.05Å; I511-Y515 HydrophobicContact CG2-CE1 3.83Å; I511-Y515 HydrophobicContact CG2-CE2 3.53Å; I511-Y515 HydrophobicContact CG2-CG 4.43Å; I511-Y515 PolarHBondContact O-N 3.38Å
512	L	98.9	Very high	98.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.8	-37.2	178.5	-62.7	-167.4	0	0	0	112	A412 L415 I508 Y515 Y516 L593 M597 M600	A412-L512 HydrophobicContact CB-CD1 3.64Å; A412-L512 HydrophobicContact CB-CD2 3.55Å; A412-L512 HydrophobicContact CB-CG 4.25Å; L415-L512 HydrophobicContact CD1-CD2 4.44Å; I508-L512 HydrophobicContact CG2-CD1 4.21Å; I508-L512 HydrophobicContact CG2-CD2 4.44Å; I508-L512 HydrophobicContact CG2-CG 4.04Å; I508-L512 WeakPolarHBondContact O-CG 3.48Å; I508-L512 PolarHBondContact O-N 2.86Å; L512-Y515 HydrophobicContact CD2-CD2 4.33Å; L512-Y516 VanDerWaalsContact O-CB 3.25Å; L512-Y516 WeakPolarHBondContact O-CB 3.37Å; L512-Y516 PolarHBondContact O-N 3.08Å; L512-L593 HydrophobicContact CD1-CD1 4.37Å; L512-M597 HydrophobicContact CB-CG 4.04Å; L512-M597 HydrophobicContact CB-SD 3.9Å; L512-M600 HydrophobicContact CD1-CE 4.38Å; L512-M600 HydrophobicContact CD1-SD 4.02Å
513	F	98.9	Very high	98.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62	-46.1	171.8	179.6	-84.1	0	0	0	111.3	G509 C510 I511 Y516 R517 F519 L521 L579 Y582 M597	G509-F513 PolarHBondContact O-N 3.43Å; C510-F513 PolarHBondContact O-N 2.98Å; I511-F513 VanDerWaalsContact C-N 3.32Å; I511-F513 PolarHBondContact O-N 3.45Å; F513-Y516 CarbonylContact O-C 3.6Å; F513-Y516 PolarHBondContact O-N 2.98Å; F513-Y516 VanDerWaalsContact O-N 3.16Å; F513-R517 HydrophobicContact CD1-CB 4.27Å; F513-R517 HydrophobicContact CD1-CG 4.16Å; F513-R517 HydrophobicContact CD2-CG 4.24Å; F513-R517 HydrophobicContact CE1-CB 3.93Å; F513-R517 HydrophobicContact CE1-CG 3.77Å; F513-R517 HydrophobicContact CE2-CG 3.88Å; F513-R517 HydrophobicContact CG-CG 4.39Å; F513-R517 HydrophobicContact CZ-CB 4.28Å; F513-R517 HydrophobicContact CZ-CG 3.64Å; F513-R517 WeakPolarHBondContact O-CB 3.4Å; F513-R517 PolarHBondContact O-N 3.42Å; F513-F519 HydrophobicContact CE1-CD2 4.06Å; F513-F519 AromaticContact CE1-CE2 3.74Å; F513-F519 HydrophobicContact CE1-CE2 3.74Å; F513-F519 HydrophobicContact CE1-CZ 4.44Å; F513-F519 HydrophobicContact CZ-CE2 4.01Å; F513-F519 HydrophobicContact CZ-CZ 4.47Å; F513-L521 HydrophobicContact CB-CB 4.34Å; F513-L521 HydrophobicContact CD1-CB 3.59Å; F513-L521 HydrophobicContact CD1-CD1 3.9Å; F513-L521 HydrophobicContact CD1-CG 4.29Å; F513-L521 HydrophobicContact CD2-CD1 3.76Å; F513-L521 HydrophobicContact CE1-CB 4.01Å; F513-L521 HydrophobicContact CE1-CD1 3.77Å; F513-L521 HydrophobicContact CE2-CD1 3.6Å; F513-L521 HydrophobicContact CG-CB 3.97Å; F513-L521 HydrophobicContact CG-CD1 3.89Å; F513-L521 HydrophobicContact CG-CD2 4.44Å; F513-L521 HydrophobicContact CG-CG 4.32Å; F513-L521 HydrophobicContact CZ-CD1 3.59Å; F513-L579 HydrophobicContact CD2-CD1 4.04Å; F513-L579 HydrophobicContact CE2-CD1 4.24Å; F513-Y582 HydrophobicContact CE2-CD1 4.19Å; F513-Y582 AromaticContact CE2-CD2 3.62Å; F513-Y582 HydrophobicContact CE2-CD2 3.62Å; F513-Y582 HydrophobicContact CE2-CE2 4.31Å; F513-Y582 AromaticContact CE2-CG 3.54Å; F513-Y582 HydrophobicContact CE2-CG 3.54Å; F513-Y582 AromaticContact CZ-CD1 3.86Å; F513-Y582 HydrophobicContact CZ-CD1 3.86Å; F513-Y582 AromaticContact CZ-CD2 3.96Å; F513-Y582 HydrophobicContact CZ-CD2 3.96Å; F513-Y582 HydrophobicContact CZ-CE1 4.25Å; F513-Y582 HydrophobicContact CZ-CE2 4.32Å; F513-Y582 AromaticContact CZ-CG 3.71Å; F513-Y582 HydrophobicContact CZ-CG 3.71Å; F513-M597 HydrophobicContact CB-SD 3.95Å; F513-M597 PolarHBondContact N-SD 2.95Å; F513-M597 VanDerWaalsContact N-SD 3.4Å
514	E	98.8	Very high	98.5	Very high	5 Å²	5	13.5 Å²	13.5	2%	0.023	6%	0.062	C	C	.	.	H	α-helix	trans	-66.3	-38.4	-179.1	-179.1	155.5	-161.4	0	0	112.5	L395 Y488 C510 I511 Y516 R517 G518 F519 T520	L395-E514 HydrophobicContact CD2-CG 4.32Å; Y488-E514 WeakPolarHBondContact CE1-OE2 3.2Å; Y488-E514 PolarHBondContact OH-OE2 2.97Å; C510-E514 PolarHBondContact O-N 3.47Å; C510-E514 VanDerWaalsContact O-N 3.12Å; I511-E514 PolarHBondContact O-N 2.94Å; E514-Y516 VanDerWaalsContact C-N 3.31Å; E514-Y516 PolarHBondContact O-N 3.43Å; E514-R517 PolarHBondContact O-N 3.13Å; E514-G518 VanDerWaalsContact O-CA 3.28Å; E514-G518 WeakPolarHBondContact O-CA 3.49Å; E514-G518 PolarHBondContact O-N 2.8Å; E514-F519 WeakPolarHBondContact CA-O 3.47Å; E514-T520 WeakPolarHBondContact OE1-CG2 3.32Å; E514-T520 PolarHBondContact OE1-N 2.94Å; E514-T520 WeakPolarHBondContact OE2-CG2 3.36Å
515	Y	98.8	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.4	-38.2	170.8	-67.3	-12.9	0	0	0	112.6	T391 P402 Y403 M411 L415 P434 I437 I511 L512	T391-Y515 WeakPolarHBondContact CB-OH 3.2Å; T391-Y515 HydrophobicContact CG2-CE1 4.31Å; T391-Y515 WeakPolarHBondContact CG2-OH 3.31Å; T391-Y515 VanDerWaalsContact OG1-CE1 3.26Å; T391-Y515 WeakPolarHBondContact OG1-CE1 3.45Å; T391-Y515 PolarHBondContact OG1-OH 2.91Å; P402-Y515 WeakPolarHBondContact CB-O 3.35Å; Y403-Y515 HydrophobicContact CD2-CD1 4.02Å; Y403-Y515 HydrophobicContact CD2-CG 4.03Å; Y403-Y515 AromaticContact CE2-CD1 3.88Å; Y403-Y515 HydrophobicContact CE2-CD1 3.88Å; Y403-Y515 HydrophobicContact CE2-CE1 4.35Å; Y403-Y515 HydrophobicContact CE2-CG 4.33Å; Y403-Y515 PolarHBondContact N-O 2.87Å; M411-Y515 HydrophobicContact CB-CE2 4.25Å; M411-Y515 HydrophobicContact CE-CD2 3.82Å; M411-Y515 HydrophobicContact CE-CE2 4.07Å; M411-Y515 HydrophobicContact CE-CG 4.26Å; M411-Y515 HydrophobicContact SD-CE2 4.15Å; L415-Y515 HydrophobicContact CD1-CE2 4.37Å; P434-Y515 HydrophobicContact CB-CE1 4.07Å; P434-Y515 HydrophobicContact CG-CE1 4.22Å; I437-Y515 VanDerWaalsContact CD1-OH 3.27Å; I437-Y515 WeakPolarHBondContact CD1-OH 3.21Å; I511-Y515 HydrophobicContact CG2-CD1 4.32Å; I511-Y515 HydrophobicContact CG2-CD2 4.05Å; I511-Y515 HydrophobicContact CG2-CE1 3.83Å; I511-Y515 HydrophobicContact CG2-CE2 3.53Å; I511-Y515 HydrophobicContact CG2-CG 4.43Å; I511-Y515 PolarHBondContact O-N 3.38Å; L512-Y515 HydrophobicContact CD2-CD2 4.33Å
516	Y	98.8	Very high	98.2	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.027	11%	0.111	C	C	.	.	H	α-helix	trans	-78.7	-25.6	-178.7	-178.5	-98.8	0	0	0	114	P402 L405 L512 F513 E514 L584 H590 L593 F594	P402-Y516 VanDerWaalsContact CB-O 3.25Å; P402-Y516 WeakPolarHBondContact CB-O 3.34Å; L405-Y516 HydrophobicContact CD1-CD2 4.29Å; L405-Y516 HydrophobicContact CD1-CE2 4.34Å; L512-Y516 VanDerWaalsContact O-CB 3.25Å; L512-Y516 WeakPolarHBondContact O-CB 3.37Å; L512-Y516 PolarHBondContact O-N 3.08Å; F513-Y516 CarbonylContact O-C 3.6Å; F513-Y516 PolarHBondContact O-N 2.98Å; F513-Y516 VanDerWaalsContact O-N 3.16Å; E514-Y516 VanDerWaalsContact C-N 3.31Å; E514-Y516 PolarHBondContact O-N 3.43Å; Y516-L584 HydrophobicContact CE1-CB 4.44Å; Y516-L584 HydrophobicContact CE1-CD1 4.07Å; Y516-L584 HydrophobicContact CE1-CG 3.84Å; Y516-L584 WeakPolarHBondContact OH-CB 3.31Å; Y516-L584 PolarHBondContact OH-N 2.72Å; Y516-H590 AromaticContact CZ-ND1 3.87Å; Y516-H590 PolarHBondContact OH-CE1 2.85Å; Y516-H590 VanDerWaalsContact OH-CE1 3.27Å; Y516-H590 PolarHBondContact OH-ND1 3.29Å; Y516-L593 HydrophobicContact CD2-CD2 3.48Å; Y516-L593 VanDerWaalsContact CD2-CD2 3.48Å; Y516-L593 HydrophobicContact CE2-CD2 4.02Å; Y516-L593 HydrophobicContact CG-CD2 3.8Å; Y516-F594 AromaticContact CD1-CE2 3.69Å; Y516-F594 HydrophobicContact CD1-CE2 3.69Å; Y516-F594 AromaticContact CD1-CZ 3.72Å; Y516-F594 HydrophobicContact CD1-CZ 3.72Å; Y516-F594 AromaticContact CE1-CE2 3.36Å; Y516-F594 HydrophobicContact CE1-CE2 3.36Å; Y516-F594 AromaticContact CE1-CZ 3.53Å; Y516-F594 HydrophobicContact CE1-CZ 3.53Å; Y516-F594 HydrophobicContact CG-CE2 4.41Å; Y516-F594 AromaticContact CZ-CE2 3.81Å
517	R	98.3	Very high	98.1	Very high	59 Å²	59	25.5 Å²	25.5	22%	0.223	12%	0.119	C	C	.	.	H	α-helix	trans	-112.8	-18	-175.7	-69.5	-53.6	-52.6	-132.6	-1.7	115.6	F513 E514 F519 Y582	F513-R517 HydrophobicContact CD1-CB 4.27Å; F513-R517 HydrophobicContact CD1-CG 4.16Å; F513-R517 HydrophobicContact CD2-CG 4.24Å; F513-R517 HydrophobicContact CE1-CB 3.93Å; F513-R517 HydrophobicContact CE1-CG 3.77Å; F513-R517 HydrophobicContact CE2-CG 3.88Å; F513-R517 HydrophobicContact CG-CG 4.39Å; F513-R517 HydrophobicContact CZ-CB 4.28Å; F513-R517 HydrophobicContact CZ-CG 3.64Å; F513-R517 WeakPolarHBondContact O-CB 3.4Å; F513-R517 PolarHBondContact O-N 3.42Å; E514-R517 PolarHBondContact O-N 3.13Å; R517-F519 VanDerWaalsContact C-N 3.29Å; R517-F519 HydrophobicContact CB-CD1 4.01Å; R517-F519 HydrophobicContact CB-CE1 3.79Å; R517-F519 HydrophobicContact CB-CE2 4.4Å; R517-F519 HydrophobicContact CB-CG 4.43Å; R517-F519 HydrophobicContact CB-CZ 3.99Å; R517-F519 HydrophobicContact CG-CZ 4.38Å; R517-F519 VanDerWaalsContact O-CD1 3.22Å; R517-F519 WeakPolarHBondContact O-CD1 3.44Å; R517-Y582 WeakPolarHBondContact CD-O 3.44Å; R517-Y582 PolarHBondContact NH1-O 3.42Å
518	G	97.9	Very high	98.1	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.031	13%	0.134	C	C	.	.	S	Bend	trans	80.1	3.5	-173.6	0	0	0	0	0	114.8	F400 E514	F400-G518 WeakPolarHBondContact O-CA 3.4Å; E514-G518 VanDerWaalsContact O-CA 3.28Å; E514-G518 WeakPolarHBondContact O-CA 3.49Å; E514-G518 PolarHBondContact O-N 2.8Å
519	F	98.3	Very high	98.1	Very high	78 Å²	78	31 Å²	31	34%	0.342	14%	0.14	S	C	.	.	S	Bend	trans	-147.6	149	-179.4	60.2	-97.2	0	0	0	113.2	F513 E514 R517 L521	F513-F519 HydrophobicContact CE1-CD2 4.06Å; F513-F519 AromaticContact CE1-CE2 3.74Å; F513-F519 HydrophobicContact CE1-CE2 3.74Å; F513-F519 HydrophobicContact CE1-CZ 4.44Å; F513-F519 HydrophobicContact CZ-CE2 4.01Å; F513-F519 HydrophobicContact CZ-CZ 4.47Å; E514-F519 WeakPolarHBondContact CA-O 3.47Å; R517-F519 VanDerWaalsContact C-N 3.29Å; R517-F519 HydrophobicContact CB-CD1 4.01Å; R517-F519 HydrophobicContact CB-CE1 3.79Å; R517-F519 HydrophobicContact CB-CE2 4.4Å; R517-F519 HydrophobicContact CB-CG 4.43Å; R517-F519 HydrophobicContact CB-CZ 3.99Å; R517-F519 HydrophobicContact CG-CZ 4.38Å; R517-F519 VanDerWaalsContact O-CD1 3.22Å; R517-F519 WeakPolarHBondContact O-CD1 3.44Å; F519-L521 PolarHBondContact O-N 3.26Å
520	T	98.4	Very high	98	Very high	16 Å²	16	31 Å²	31	10%	0.098	14%	0.14	C	C	.	.			trans	-49.9	130.2	175.2	56.1	0	0	0	0	113.1	H487 E514 F522	H487-T520 HydrophobicContact CB-CG2 4.1Å; E514-T520 WeakPolarHBondContact OE1-CG2 3.32Å; E514-T520 PolarHBondContact OE1-N 2.94Å; E514-T520 WeakPolarHBondContact OE2-CG2 3.36Å; T520-F522 VanDerWaalsContact C-N 3.3Å; T520-F522 PolarHBondContact O-N 2.87Å
521	L	98.5	Very high	98	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.052	14%	0.14	C	C	.	.	S	Bend	trans	-58.3	-39.2	174.7	-178.5	56.6	0	0	0	113.1	F513 F519 I537 L579 L601	F513-L521 HydrophobicContact CB-CB 4.34Å; F513-L521 HydrophobicContact CD1-CB 3.59Å; F513-L521 HydrophobicContact CD1-CD1 3.9Å; F513-L521 HydrophobicContact CD1-CG 4.29Å; F513-L521 HydrophobicContact CD2-CD1 3.76Å; F513-L521 HydrophobicContact CE1-CB 4.01Å; F513-L521 HydrophobicContact CE1-CD1 3.77Å; F513-L521 HydrophobicContact CE2-CD1 3.6Å; F513-L521 HydrophobicContact CG-CB 3.97Å; F513-L521 HydrophobicContact CG-CD1 3.89Å; F513-L521 HydrophobicContact CG-CD2 4.44Å; F513-L521 HydrophobicContact CG-CG 4.32Å; F513-L521 HydrophobicContact CZ-CD1 3.59Å; F519-L521 PolarHBondContact O-N 3.26Å; L521-I537 HydrophobicContact CD1-CD1 4Å; L521-I537 HydrophobicContact CD1-CG2 4.13Å; L521-I537 HydrophobicContact CG-CD1 4.48Å; L521-L579 HydrophobicContact CD1-CD1 4.31Å; L521-L601 HydrophobicContact CD2-CD1 3.65Å
522	F	98.4	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.141	C	C	.	.			trans	-120.2	81.3	-175	-58	-61.7	0	0	0	111.4	H487 W506 T520 T524 H530 M533 M534 I537 L538	H487-F522 PolarHBondContact CD2-O 3.45Å; W506-F522 AromaticContact CZ2-CE2 3.73Å; W506-F522 HydrophobicContact CZ2-CE2 3.73Å; W506-F522 AromaticContact CZ2-CZ 3.96Å; W506-F522 HydrophobicContact CZ2-CZ 3.96Å; T520-F522 VanDerWaalsContact C-N 3.3Å; T520-F522 PolarHBondContact O-N 2.87Å; F522-T524 VanDerWaalsContact C-N 3.29Å; F522-T524 HydrophobicContact CB-CG2 4.39Å; F522-T524 PolarHBondContact O-N 2.89Å; F522-H530 VanDerWaalsContact CB-CD2 3.5Å; F522-H530 WeakPolarHBondContact CB-CD2 3.42Å; F522-H530 WeakPolarHBondContact CB-NE2 3.38Å; F522-H530 AromaticContact CD1-CD2 3.89Å; F522-H530 AromaticContact CD1-NE2 3.91Å; F522-H530 AromaticContact CD2-NE2 3.32Å; F522-H530 VanDerWaalsContact CD2-NE2 3.32Å; F522-H530 WeakPolarHBondContact CD2-NE2 3.41Å; F522-H530 AromaticContact CG-CD2 3.59Å; F522-H530 AromaticContact CG-NE2 3.19Å; F522-H530 WeakPolarHBondContact CG-NE2 3.46Å; F522-M533 HydrophobicContact CD1-CB 3.96Å; F522-M533 HydrophobicContact CE1-CB 4.48Å; F522-M534 HydrophobicContact CD1-CG 4.38Å; F522-M534 HydrophobicContact CE1-CB 4.32Å; F522-M534 HydrophobicContact CE1-CG 3.74Å; F522-M534 HydrophobicContact CE2-CG 4.4Å; F522-M534 HydrophobicContact CZ-CG 3.76Å; F522-I537 HydrophobicContact CD1-CD1 4.04Å; F522-I537 HydrophobicContact CE1-CD1 3.72Å; F522-L538 HydrophobicContact CZ-CD1 4.24Å
523	Q	96.8	Very high	98	Very high	96 Å²	96	31.1 Å²	31.1	45%	0.449	14%	0.141	S	C	.	.			trans	-80.4	68.7	-176.8	-168.8	164	100	0	0	112.3	Y571	Q523-Y571 PolarHBondContact OE1-OH 3.14Å
524	T	96.5	Very high	98	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.025	14%	0.141	C	C	.	.			trans	-140.6	158.2	-175	171.9	0	0	0	0	111.8	R486 F522 E526 E529 H530 M533	R486-T524 WeakPolarHBondContact CD-O 3.45Å; R486-T524 WeakPolarHBondContact CG-O 3.38Å; F522-T524 VanDerWaalsContact C-N 3.29Å; F522-T524 HydrophobicContact CB-CG2 4.39Å; F522-T524 PolarHBondContact O-N 2.89Å; T524-E526 PolarHBondContact OG1-N 3.18Å; T524-E529 WeakPolarHBondContact CB-OE2 3.43Å; T524-E529 PolarHBondContact OG1-OE2 3.38Å; T524-H530 HydrophobicContact CG2-CB 3.56Å; T524-M533 HydrophobicContact CG2-CE 4.49Å; T524-M533 HydrophobicContact CG2-SD 3.68Å
525	H	94.4	Very high	98	Very high	153 Å²	153	33.4 Å²	33.4	71%	0.708	15%	0.152	S	C	*	.	S	Bend	trans	-120.8	2.1	172.8	-64.2	-14.2	0	0	0	114	R486 H487	R486-H525 VanDerWaalsContact CZ-O 3.26Å; R486-H525 VanDerWaalsContact NE-C 3.33Å; R486-H525 PolarHBondContact NE-O 2.89Å; R486-H525 PolarHBondContact NH2-O 3.31Å; H487-H525 AromaticContact NE2-CE1 3.52Å; H487-H525 AromaticContact NE2-ND1 3.72Å
526	E	96.6	Very high	98	Very high	75 Å²	75	36.5 Å²	36.5	35%	0.35	17%	0.165	S	C	.	.	S	Bend	trans	-109.7	164.9	-179.7	-153	-79.7	113.1	0	0	110.7	R486 T524 R528 E529 H530	R486-E526 PolarHBondContact NH1-O 3.43Å; R486-E526 VanDerWaalsContact NH1-O 3.08Å; T524-E526 PolarHBondContact OG1-N 3.18Å; E526-R528 VanDerWaalsContact CD-N 3.31Å; E526-R528 PolarHBondContact OE1-N 3.12Å; E526-R528 WeakPolarHBondContact OE2-CA 3.43Å; E526-R528 WeakPolarHBondContact OE2-CB 3.37Å; E526-R528 PolarHBondContact OE2-N 2.76Å; E526-E529 HydrophobicContact CB-CB 4.15Å; E526-E529 PolarHBondContact OE2-N 3.45Å; E526-H530 WeakPolarHBondContact O-CB 3.18Å
527	N	98	Very high	98	Very high	28 Å²	28	36.4 Å²	36.4	15%	0.15	17%	0.165	C	C	.	.	H	α-helix	trans	-85.8	-46.6	-179.4	-73.1	0.4	0	0	0	113.2	R486 I494 H530 L531 Y554	R486-N527 PolarHBondContact NH1-OD1 3.39Å; R486-N527 PolarHBondContact NH2-OD1 2.93Å; I494-N527 HydrophobicContact CG2-CB 3.93Å; N527-H530 PolarHBondContact O-N 3.07Å; N527-L531 WeakPolarHBondContact O-CG 3.26Å; N527-L531 PolarHBondContact O-N 3.23Å; N527-L531 VanDerWaalsContact O-N 3.08Å; N527-Y554 HydrophobicContact CB-CE1 4.49Å; N527-Y554 HydrophobicContact CB-CE2 4.01Å; N527-Y554 VanDerWaalsContact CB-OH 3.28Å; N527-Y554 WeakPolarHBondContact CB-OH 3.24Å; N527-Y554 PolarHBondContact ND2-OH 2.91Å
528	R	97.8	Very high	98	Very high	87 Å²	87	34.3 Å²	34.3	33%	0.328	16%	0.158	S	C	.	.	H	α-helix	trans	-73.3	-40.7	-176.2	-177.5	-176	63.3	144.4	-4.9	110.7	E526 H530 L531 V532 Y554 V561	E526-R528 VanDerWaalsContact CD-N 3.31Å; E526-R528 PolarHBondContact OE1-N 3.12Å; E526-R528 WeakPolarHBondContact OE2-CA 3.43Å; E526-R528 WeakPolarHBondContact OE2-CB 3.37Å; E526-R528 PolarHBondContact OE2-N 2.76Å; R528-H530 VanDerWaalsContact C-N 3.32Å; R528-H530 PolarHBondContact O-N 2.84Å; R528-L531 PolarHBondContact O-N 3.35Å; R528-V532 WeakPolarHBondContact O-CG2 3.49Å; R528-V532 PolarHBondContact O-N 3.29Å; R528-Y554 HydrophobicContact CB-CD1 3.79Å; R528-Y554 HydrophobicContact CB-CE1 4.11Å; R528-Y554 HydrophobicContact CB-CG 4.27Å; R528-Y554 HydrophobicContact CG-CD1 4.19Å; R528-Y554 HydrophobicContact CG-CG 4.49Å; R528-V561 VanDerWaalsContact CD-O 3.27Å; R528-V561 WeakPolarHBondContact CD-O 3.49Å; R528-V561 PolarHBondContact NH1-O 3.28Å
529	E	98.4	Very high	98	Very high	27 Å²	27	35.4 Å²	35.4	13%	0.126	17%	0.17	C	C	.	.	H	α-helix	trans	-54.5	-47.1	168.6	-178.8	178.2	-122.1	0	0	111.5	T524 E526 L531 V532 M533 W562 V572	T524-E529 WeakPolarHBondContact CB-OE2 3.43Å; T524-E529 PolarHBondContact OG1-OE2 3.38Å; E526-E529 HydrophobicContact CB-CB 4.15Å; E526-E529 PolarHBondContact OE2-N 3.45Å; E529-L531 PolarHBondContact O-N 2.9Å; E529-V532 PolarHBondContact O-N 3.17Å; E529-V532 VanDerWaalsContact O-N 3.13Å; E529-M533 HydrophobicContact CG-CE 3.95Å; E529-M533 HydrophobicContact CG-CG 4.5Å; E529-M533 WeakPolarHBondContact O-CG 3.47Å; E529-M533 PolarHBondContact O-N 3.26Å; E529-W562 HydrophobicContact CB-CH2 3.93Å; E529-W562 HydrophobicContact CB-CZ3 4.01Å; E529-W562 HydrophobicContact CG-CH2 3.86Å; E529-W562 HydrophobicContact CG-CZ3 4.44Å; E529-V572 HydrophobicContact CG-CG2 4.18Å
530	H	98.6	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-44.1	178.5	-164.8	-176.2	0	0	0	112.7	R486 I494 F522 T524 E526 N527 R528 V532 M533 M534	R486-H530 PolarHBondContact O-CE1 2.67Å; R486-H530 VanDerWaalsContact O-CE1 3.3Å; I494-H530 HydrophobicContact CD1-CB 4.41Å; I494-H530 VanDerWaalsContact CD1-ND1 3.29Å; I494-H530 WeakPolarHBondContact CD1-ND1 3.39Å; F522-H530 VanDerWaalsContact CB-CD2 3.5Å; F522-H530 WeakPolarHBondContact CB-CD2 3.42Å; F522-H530 WeakPolarHBondContact CB-NE2 3.38Å; F522-H530 AromaticContact CD1-CD2 3.89Å; F522-H530 AromaticContact CD1-NE2 3.91Å; F522-H530 AromaticContact CD2-NE2 3.32Å; F522-H530 VanDerWaalsContact CD2-NE2 3.32Å; F522-H530 WeakPolarHBondContact CD2-NE2 3.41Å; F522-H530 AromaticContact CG-CD2 3.59Å; F522-H530 AromaticContact CG-NE2 3.19Å; F522-H530 WeakPolarHBondContact CG-NE2 3.46Å; T524-H530 HydrophobicContact CG2-CB 3.56Å; E526-H530 WeakPolarHBondContact O-CB 3.18Å; N527-H530 PolarHBondContact O-N 3.07Å; R528-H530 VanDerWaalsContact C-N 3.32Å; R528-H530 PolarHBondContact O-N 2.84Å; H530-V532 VanDerWaalsContact C-N 3.31Å; H530-V532 PolarHBondContact O-N 3.21Å; H530-M533 PolarHBondContact O-N 3.49Å; H530-M534 VanDerWaalsContact NE2-CE 3.29Å; H530-M534 WeakPolarHBondContact NE2-CE 3.45Å; H530-M534 WeakPolarHBondContact O-CG 3.46Å; H530-M534 PolarHBondContact O-N 3.35Å
531	L	98.8	Very high	98	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62	-37.8	175.5	-67.3	168	0	0	0	112	I494 L495 N527 R528 E529 M534 E535 I541 Y554 L560	I494-L531 HydrophobicContact CB-CD2 4.44Å; I494-L531 HydrophobicContact CG2-CD1 4.02Å; I494-L531 HydrophobicContact CG2-CD2 4.12Å; I494-L531 HydrophobicContact CG2-CG 4Å; L495-L531 HydrophobicContact CD2-CD1 3.72Å; L495-L531 HydrophobicContact CD2-CD2 4.17Å; L495-L531 HydrophobicContact CG-CD2 4.22Å; N527-L531 WeakPolarHBondContact O-CG 3.26Å; N527-L531 PolarHBondContact O-N 3.23Å; N527-L531 VanDerWaalsContact O-N 3.08Å; R528-L531 PolarHBondContact O-N 3.35Å; E529-L531 PolarHBondContact O-N 2.9Å; L531-M534 HydrophobicContact CD2-SD 4.3Å; L531-M534 WeakPolarHBondContact O-CB 3.35Å; L531-M534 PolarHBondContact O-N 2.91Å; L531-E535 PolarHBondContact O-N 2.69Å; L531-I541 HydrophobicContact CB-CD1 4.19Å; L531-I541 HydrophobicContact CD2-CD1 4.01Å; L531-Y554 HydrophobicContact CD1-CD2 3.92Å; L531-L560 HydrophobicContact CB-CD1 3.75Å; L531-L560 HydrophobicContact CB-CD2 3.99Å; L531-L560 HydrophobicContact CD1-CD2 4.22Å
532	V	98.6	Very high	98	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-69.3	-40.8	175.5	178.3	0	0	0	0	111.3	R528 E529 H530 M534 E535 K536 L560 W562 V572	R528-V532 WeakPolarHBondContact O-CG2 3.49Å; R528-V532 PolarHBondContact O-N 3.29Å; E529-V532 PolarHBondContact O-N 3.17Å; E529-V532 VanDerWaalsContact O-N 3.13Å; H530-V532 VanDerWaalsContact C-N 3.31Å; H530-V532 PolarHBondContact O-N 3.21Å; V532-M534 VanDerWaalsContact C-N 3.3Å; V532-M534 PolarHBondContact O-N 2.87Å; V532-E535 PolarHBondContact O-N 2.72Å; V532-E535 VanDerWaalsContact O-N 3.13Å; V532-K536 HydrophobicContact CG1-CG 4.45Å; V532-K536 WeakPolarHBondContact O-CG 3.45Å; V532-K536 PolarHBondContact O-N 3.42Å; V532-L560 HydrophobicContact CB-CD1 4.37Å; V532-L560 HydrophobicContact CG2-CB 4.06Å; V532-L560 HydrophobicContact CG2-CD1 3.66Å; V532-L560 HydrophobicContact CG2-CG 4.43Å; V532-W562 HydrophobicContact CB-CD2 4.22Å; V532-W562 HydrophobicContact CB-CE3 4.47Å; V532-W562 HydrophobicContact CB-CG 4.4Å; V532-W562 HydrophobicContact CG1-CD2 4.02Å; V532-W562 HydrophobicContact CG1-CG 3.9Å; V532-W562 HydrophobicContact CG2-CB 3.86Å; V532-W562 HydrophobicContact CG2-CD2 3.79Å; V532-W562 HydrophobicContact CG2-CE3 3.88Å; V532-W562 HydrophobicContact CG2-CG 3.8Å; V532-V572 HydrophobicContact CG1-CG1 4.14Å
533	M	98.8	Very high	98	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-44.1	173.1	-67.9	-175.8	169.1	0	0	111.1	F522 T524 E529 H530 E535 K536 I537 Y571 V572	F522-M533 HydrophobicContact CD1-CB 3.96Å; F522-M533 HydrophobicContact CE1-CB 4.48Å; T524-M533 HydrophobicContact CG2-CE 4.49Å; T524-M533 HydrophobicContact CG2-SD 3.68Å; E529-M533 HydrophobicContact CG-CE 3.95Å; E529-M533 HydrophobicContact CG-CG 4.5Å; E529-M533 WeakPolarHBondContact O-CG 3.47Å; E529-M533 PolarHBondContact O-N 3.26Å; H530-M533 PolarHBondContact O-N 3.49Å; M533-E535 PolarHBondContact O-N 3.35Å; M533-K536 PolarHBondContact O-N 3.16Å; M533-I537 WeakPolarHBondContact O-CB 3.49Å; M533-I537 WeakPolarHBondContact O-CD1 3.13Å; M533-I537 VanDerWaalsContact O-CG1 3.25Å; M533-I537 WeakPolarHBondContact O-CG1 3.35Å; M533-I537 PolarHBondContact O-N 2.91Å; M533-I537 VanDerWaalsContact O-N 3.17Å; M533-Y571 HydrophobicContact CE-CD1 4.34Å; M533-Y571 HydrophobicContact CE-CE1 3.81Å; M533-V572 HydrophobicContact CE-CG2 3.78Å; M533-V572 HydrophobicContact CG-CG1 4.3Å; M533-V572 HydrophobicContact CG-CG2 4.01Å
534	M	98.8	Very high	98.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.2	-46.4	173	-65.5	177.4	-173.9	0	0	111.4	P491 I494 W506 F522 H530 L531 V532 K536 I537 L538 F603	P491-M534 HydrophobicContact CB-SD 3.97Å; P491-M534 HydrophobicContact CG-SD 4.39Å; I494-M534 HydrophobicContact CD1-CE 3.54Å; W506-M534 HydrophobicContact CH2-CE 4.34Å; W506-M534 HydrophobicContact CH2-CG 4.24Å; W506-M534 HydrophobicContact CH2-SD 3.89Å; W506-M534 HydrophobicContact CZ2-CE 3.59Å; W506-M534 HydrophobicContact CZ2-CG 4.04Å; W506-M534 HydrophobicContact CZ2-SD 3.73Å; F522-M534 HydrophobicContact CD1-CG 4.38Å; F522-M534 HydrophobicContact CE1-CB 4.32Å; F522-M534 HydrophobicContact CE1-CG 3.74Å; F522-M534 HydrophobicContact CE2-CG 4.4Å; F522-M534 HydrophobicContact CZ-CG 3.76Å; H530-M534 VanDerWaalsContact NE2-CE 3.29Å; H530-M534 WeakPolarHBondContact NE2-CE 3.45Å; H530-M534 WeakPolarHBondContact O-CG 3.46Å; H530-M534 PolarHBondContact O-N 3.35Å; L531-M534 HydrophobicContact CD2-SD 4.3Å; L531-M534 WeakPolarHBondContact O-CB 3.35Å; L531-M534 PolarHBondContact O-N 2.91Å; V532-M534 VanDerWaalsContact C-N 3.3Å; V532-M534 PolarHBondContact O-N 2.87Å; M534-K536 PolarHBondContact O-N 3.49Å; M534-I537 PolarHBondContact O-N 3.37Å; M534-L538 HydrophobicContact CB-CD1 4.47Å; M534-L538 WeakPolarHBondContact O-CB 3.46Å; M534-L538 PolarHBondContact O-N 2.86Å; M534-F603 HydrophobicContact CB-CE1 3.67Å; M534-F603 HydrophobicContact CB-CZ 3.88Å; M534-F603 HydrophobicContact CG-CE1 4.48Å; M534-F603 HydrophobicContact SD-CE1 4.22Å
535	E	98.6	Very high	98.2	Very high	52 Å²	52	39.9 Å²	39.9	24%	0.243	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-38.6	179.5	-71.7	-159	144.4	0	0	113.8	L531 V532 M533 I537 G539 I541 L560	L531-E535 PolarHBondContact O-N 2.69Å; V532-E535 PolarHBondContact O-N 2.72Å; V532-E535 VanDerWaalsContact O-N 3.13Å; M533-E535 PolarHBondContact O-N 3.35Å; E535-I537 VanDerWaalsContact C-N 3.26Å; E535-I537 PolarHBondContact O-N 3.06Å; E535-G539 WeakPolarHBondContact CA-O 3.47Å; E535-G539 PolarHBondContact O-N 3.37Å; E535-I541 HydrophobicContact CG-CD1 4.02Å; E535-I541 HydrophobicContact CG-CG1 3.82Å; E535-I541 PolarHBondContact OE1-N 3.34Å; E535-L560 HydrophobicContact CG-CD1 3.97Å; E535-L560 WeakPolarHBondContact OE2-CD1 3.11Å
536	K	98.4	Very high	98.4	Very high	66 Å²	66	33 Å²	33	29%	0.287	18%	0.179	S	C	.	.	H	α-helix	trans	-65.3	-28.8	175.2	-61.5	-61.8	176.3	177.4	0	113.1	V532 M533 M534 E564 V572 C576 K577	V532-K536 HydrophobicContact CG1-CG 4.45Å; V532-K536 WeakPolarHBondContact O-CG 3.45Å; V532-K536 PolarHBondContact O-N 3.42Å; M533-K536 PolarHBondContact O-N 3.16Å; M534-K536 PolarHBondContact O-N 3.49Å; K536-E564 WeakPolarHBondContact CE-OE1 3.38Å; K536-E564 IonicContact NZ-OE1 3.23Å; K536-E564 PolarHBondContact NZ-OE1 3.19Å; K536-E564 IonicContact NZ-OE2 3.46Å; K536-E564 PolarHBondContact NZ-OE2 3.26Å; K536-V572 HydrophobicContact CG-CG1 3.91Å; K536-C576 HydrophobicContact CB-CB 3.9Å; K536-C576 HydrophobicContact CG-CB 4.41Å; K536-K577 CarbonylContact O-C 3.5Å
537	I	98.8	Very high	98.5	Very high	5 Å²	5	36 Å²	36	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-95.7	-38.2	-172.5	-66.6	166.8	0	0	0	111.9	L521 F522 M533 M534 E535 C576 K577 P578 L579	L521-I537 HydrophobicContact CD1-CD1 4Å; L521-I537 HydrophobicContact CD1-CG2 4.13Å; L521-I537 HydrophobicContact CG-CD1 4.48Å; F522-I537 HydrophobicContact CD1-CD1 4.04Å; F522-I537 HydrophobicContact CE1-CD1 3.72Å; M533-I537 WeakPolarHBondContact O-CB 3.49Å; M533-I537 WeakPolarHBondContact O-CD1 3.13Å; M533-I537 VanDerWaalsContact O-CG1 3.25Å; M533-I537 WeakPolarHBondContact O-CG1 3.35Å; M533-I537 PolarHBondContact O-N 2.91Å; M533-I537 VanDerWaalsContact O-N 3.17Å; M534-I537 PolarHBondContact O-N 3.37Å; E535-I537 VanDerWaalsContact C-N 3.26Å; E535-I537 PolarHBondContact O-N 3.06Å; I537-C576 HydrophobicContact CD1-CB 4.09Å; I537-C576 HydrophobicContact CG1-CB 4.06Å; I537-K577 WeakPolarHBondContact CA-O 3.22Å; I537-K577 WeakPolarHBondContact CG1-O 3.46Å; I537-P578 CarbonylContact O-C 3.32Å; I537-P578 WeakPolarHBondContact O-CA 3.36Å; I537-L579 HydrophobicContact CG2-CB 3.98Å; I537-L579 HydrophobicContact CG2-CD1 4.04Å; I537-L579 PolarHBondContact O-N 3.14Å
538	L	98.8	Very high	98.5	Very high	14 Å²	14	41.7 Å²	41.7	7%	0.073	21%	0.213	C	C	.	.	H	α-helix	trans	-116.1	-15	-166	-59.5	170.8	0	0	0	114.6	W506 F522 M534 L579 L601 F603	W506-L538 HydrophobicContact CH2-CD1 3.42Å; W506-L538 VanDerWaalsContact CH2-CD1 3.42Å; W506-L538 HydrophobicContact CZ2-CD1 4.17Å; W506-L538 HydrophobicContact CZ3-CD1 4.08Å; F522-L538 HydrophobicContact CZ-CD1 4.24Å; M534-L538 HydrophobicContact CB-CD1 4.47Å; M534-L538 WeakPolarHBondContact O-CB 3.46Å; M534-L538 PolarHBondContact O-N 2.86Å; L538-L579 HydrophobicContact CD2-CB 4.4Å; L538-L579 HydrophobicContact CD2-CD2 4.01Å; L538-L601 HydrophobicContact CD1-CB 4.07Å; L538-L601 HydrophobicContact CD2-CB 3.82Å; L538-L601 HydrophobicContact CD2-CD1 4.2Å; L538-F603 HydrophobicContact CB-CE2 3.58Å; L538-F603 HydrophobicContact CB-CZ 3.87Å; L538-F603 HydrophobicContact CD1-CE2 4.41Å; L538-F603 HydrophobicContact CD1-CZ 4.24Å
539	G	98.3	Very high	98.5	Very high	27 Å²	27	37.8 Å²	37.8	28%	0.278	20%	0.199	S	C	.	.			trans	102.6	178.9	-169.5	0	0	0	0	0	112.7	E535 F603	E535-G539 WeakPolarHBondContact CA-O 3.47Å; E535-G539 PolarHBondContact O-N 3.37Å; G539-F603 WeakPolarHBondContact O-CE2 3.39Å; G539-F603 VanDerWaalsContact O-CZ 3.27Å; G539-F603 WeakPolarHBondContact O-CZ 3.44Å
540	P	98.3	Very high	98.5	Very high	108 Å²	108	44.7 Å²	44.7	70%	0.701	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-66.2	147.1	-173.5	27.9	-35.7	0	0	0	113.1
541	I	98.7	Very high	98.4	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.036	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-65.2	134	173.2	-65.6	162.4	0	0	0	109.1	L495 L531 E535 S543 M545 I546 F555 L560 F603	L495-I541 HydrophobicContact CD1-CG2 4.44Å; L531-I541 HydrophobicContact CB-CD1 4.19Å; L531-I541 HydrophobicContact CD2-CD1 4.01Å; E535-I541 HydrophobicContact CG-CD1 4.02Å; E535-I541 HydrophobicContact CG-CG1 3.82Å; E535-I541 PolarHBondContact OE1-N 3.34Å; I541-S543 PolarHBondContact O-N 3.12Å; I541-M545 HydrophobicContact CG2-CB 4.2Å; I541-I546 HydrophobicContact CB-CD1 4.13Å; I541-I546 HydrophobicContact CB-CG1 4.26Å; I541-I546 HydrophobicContact CG2-CD1 4.16Å; I541-I546 HydrophobicContact CG2-CG1 3.73Å; I541-F555 HydrophobicContact CD1-CE1 4.36Å; I541-F555 HydrophobicContact CD1-CZ 4.45Å; I541-L560 HydrophobicContact CD1-CD1 4Å; I541-L560 HydrophobicContact CD1-CG 4.45Å; I541-F603 HydrophobicContact CG1-CD1 3.87Å; I541-F603 HydrophobicContact CG1-CE1 3.51Å; I541-F603 HydrophobicContact CG1-CZ 4.07Å
542	P	98.6	Very high	98.3	Very high	38 Å²	38	50.9 Å²	50.9	25%	0.247	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-54.7	123.8	175.8	-27.2	34.8	0	0	0	112	H544 M545 I546 F603	P542-H544 PolarHBondContact O-N 3.45Å; P542-M545 HydrophobicContact CB-CG 4.22Å; P542-M545 HydrophobicContact CB-SD 4.22Å; P542-M545 HydrophobicContact CG-SD 4Å; P542-M545 WeakPolarHBondContact O-CB 3.12Å; P542-M545 PolarHBondContact O-N 2.87Å; P542-I546 PolarHBondContact O-N 2.7Å; P542-F603 HydrophobicContact CG-CB 3.84Å
543	S	98.3	Very high	98.3	Very high	76 Å²	76	58.5 Å²	58.5	53%	0.531	29%	0.285	S	S	.	.	H	α-helix	trans	-55.3	-32.2	-174.8	60.7	0	0	0	0	113.4	I541 M545 I546 H547	I541-S543 PolarHBondContact O-N 3.12Å; S543-M545 VanDerWaalsContact C-N 3.25Å; S543-M545 PolarHBondContact O-N 3.4Å; S543-I546 WeakPolarHBondContact O-CB 3.32Å; S543-I546 PolarHBondContact O-N 2.79Å; S543-I546 VanDerWaalsContact O-N 3.11Å; S543-H547 VanDerWaalsContact O-CG 3.3Å; S543-H547 PolarHBondContact O-N 2.74Å; S543-H547 PolarHBondContact O-ND1 2.74Å; S543-H547 VanDerWaalsContact O-ND1 3.08Å
544	H	98.4	Very high	98.2	Very high	68 Å²	68	59.3 Å²	59.3	32%	0.315	29%	0.288	S	S	.	.	H	α-helix	trans	-67.1	-21.1	176.6	89.3	-91.9	0	0	0	113.5	P542 R548 D604	P542-H544 PolarHBondContact O-N 3.45Å; H544-R548 PolarHBondContact CD2-NH2 2.68Å; H544-R548 PolarHBondContact NE2-NH2 3Å; H544-R548 VanDerWaalsContact O-CG 3.24Å; H544-R548 WeakPolarHBondContact O-CG 3.1Å; H544-R548 PolarHBondContact O-NE 3.49Å; H544-R548 VanDerWaalsContact O-NE 3.13Å; H544-D604 IonicContact CE1-OD2 2.73Å; H544-D604 PolarHBondContact CE1-OD2 3.16Å; H544-D604 IonicContact NE2-OD2 2.72Å
545	M	98.7	Very high	98.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-78.4	-40.6	169.1	-62.9	177.9	77.5	0	0	110.5	P491 E492 L495 L497 I541 P542 S543 H547 R548 T549 F603 D604	P491-M545 HydrophobicContact CB-CE 4.34Å; P491-M545 HydrophobicContact CG-CE 4.43Å; E492-M545 HydrophobicContact CB-CE 4.37Å; L495-M545 HydrophobicContact CD1-CB 4.32Å; L495-M545 HydrophobicContact CD1-CE 4.4Å; L497-M545 HydrophobicContact CD1-CB 3.8Å; L497-M545 HydrophobicContact CD1-CE 3.76Å; L497-M545 HydrophobicContact CD1-CG 4.09Å; I541-M545 HydrophobicContact CG2-CB 4.2Å; P542-M545 HydrophobicContact CB-CG 4.22Å; P542-M545 HydrophobicContact CB-SD 4.22Å; P542-M545 HydrophobicContact CG-SD 4Å; P542-M545 WeakPolarHBondContact O-CB 3.12Å; P542-M545 PolarHBondContact O-N 2.87Å; S543-M545 VanDerWaalsContact C-N 3.25Å; S543-M545 PolarHBondContact O-N 3.4Å; M545-H547 VanDerWaalsContact C-N 3.33Å; M545-H547 PolarHBondContact O-N 3.15Å; M545-R548 PolarHBondContact O-N 2.84Å; M545-T549 PolarHBondContact O-N 2.84Å; M545-T549 VanDerWaalsContact O-N 3.14Å; M545-F603 VanDerWaalsContact CE-O 3.27Å; M545-F603 WeakPolarHBondContact CE-O 3.33Å; M545-F603 HydrophobicContact SD-CB 4.11Å; M545-D604 HydrophobicContact SD-CB 4.43Å
546	I	98.5	Very high	98.2	Very high	8 Å²	8	65.6 Å²	65.6	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-39.4	176.7	-53.1	-179.2	0	0	0	111	I541 P542 S543 T549 Q552 F555 G558	I541-I546 HydrophobicContact CB-CD1 4.13Å; I541-I546 HydrophobicContact CB-CG1 4.26Å; I541-I546 HydrophobicContact CG2-CD1 4.16Å; I541-I546 HydrophobicContact CG2-CG1 3.73Å; P542-I546 PolarHBondContact O-N 2.7Å; S543-I546 WeakPolarHBondContact O-CB 3.32Å; S543-I546 PolarHBondContact O-N 2.79Å; S543-I546 VanDerWaalsContact O-N 3.11Å; I546-T549 WeakPolarHBondContact O-CG2 3.14Å; I546-Q552 PolarHBondContact O-NE2 3.42Å; I546-F555 HydrophobicContact CB-CD1 4.46Å; I546-F555 HydrophobicContact CB-CE1 4.31Å; I546-F555 HydrophobicContact CD1-CD1 4.07Å; I546-F555 HydrophobicContact CD1-CE1 3.76Å; I546-F555 HydrophobicContact CG1-CD1 4.22Å; I546-F555 HydrophobicContact CG1-CE1 3.71Å; I546-F555 HydrophobicContact CG1-CZ 4.1Å; I546-F555 HydrophobicContact CG2-CB 4.13Å; I546-F555 HydrophobicContact CG2-CD1 3.49Å; I546-F555 VanDerWaalsContact CG2-CD1 3.49Å; I546-F555 HydrophobicContact CG2-CD2 4.03Å; I546-F555 HydrophobicContact CG2-CE1 3.79Å; I546-F555 HydrophobicContact CG2-CE2 4.31Å; I546-F555 HydrophobicContact CG2-CG 3.62Å; I546-F555 HydrophobicContact CG2-CZ 4.2Å; I546-G558 VanDerWaalsContact CD1-O 3.24Å; I546-G558 WeakPolarHBondContact CD1-O 3.36Å
547	H	98	Very high	98.1	Very high	140 Å²	140	71.2 Å²	71.2	65%	0.648	34%	0.335	S	S	*	.	H	α-helix	trans	-71.5	-29.7	176	-62	137.1	0	0	0	113.8	S543 M545	S543-H547 VanDerWaalsContact O-CG 3.3Å; S543-H547 PolarHBondContact O-N 2.74Å; S543-H547 PolarHBondContact O-ND1 2.74Å; S543-H547 VanDerWaalsContact O-ND1 3.08Å; M545-H547 VanDerWaalsContact C-N 3.33Å; M545-H547 PolarHBondContact O-N 3.15Å
548	R	98.1	Very high	97.7	Very high	146 Å²	146	72.9 Å²	72.9	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-85.4	-21.9	-177.2	-73.9	-173.3	-62.8	161.3	-2.6	114.3	L497 H544 M545	L497-R548 HydrophobicContact CD2-CB 3.58Å; H544-R548 PolarHBondContact CD2-NH2 2.68Å; H544-R548 PolarHBondContact NE2-NH2 3Å; H544-R548 VanDerWaalsContact O-CG 3.24Å; H544-R548 WeakPolarHBondContact O-CG 3.1Å; H544-R548 PolarHBondContact O-NE 3.49Å; H544-R548 VanDerWaalsContact O-NE 3.13Å; M545-R548 PolarHBondContact O-N 2.84Å
549	T	98.2	Very high	97.6	Very high	5 Å²	5	74 Å²	74	3%	0.031	37%	0.368	C	S	.	.			trans	-72.8	141.4	-173.1	-178.7	0	0	0	0	113.1	L495 M545 I546 K551 Q552 F555	L495-T549 HydrophobicContact CD2-CG2 4.22Å; L495-T549 WeakPolarHBondContact O-CB 3.2Å; L495-T549 PolarHBondContact O-OG1 2.88Å; M545-T549 PolarHBondContact O-N 2.84Å; M545-T549 VanDerWaalsContact O-N 3.14Å; I546-T549 WeakPolarHBondContact O-CG2 3.14Å; T549-K551 HydrophobicContact CG2-CB 4.45Å; T549-K551 PolarHBondContact O-N 3.17Å; T549-K551 WeakPolarHBondContact OG1-CB 3.32Å; T549-K551 PolarHBondContact OG1-N 3.16Å; T549-Q552 PolarHBondContact O-NE2 2.88Å; T549-F555 HydrophobicContact CG2-CD2 4.42Å; T549-F555 HydrophobicContact CG2-CE2 3.97Å
550	R	97.5	Very high	97.6	Very high	172 Å²	172	73.9 Å²	73.9	65%	0.649	36%	0.361	S	S	*	.	S	Bend	trans	-74.6	-5.8	165.9	70	-177.1	-169.7	-179	2.3	113.4	E496 Q552	E496-R550 VanDerWaalsContact CD-NE 3.32Å; E496-R550 IonicContact OE1-CZ 3.69Å; E496-R550 IonicContact OE1-NE 2.81Å; E496-R550 IonicContact OE1-NH2 3.73Å; E496-R550 PolarHBondContact OE1-NH2 3.01Å; E496-R550 WeakPolarHBondContact OE2-CG 3.27Å; E496-R550 IonicContact OE2-CZ 3.37Å; E496-R550 IonicContact OE2-NE 3.23Å; E496-R550 PolarHBondContact OE2-NE 3.38Å; E496-R550 IonicContact OE2-NH2 2.73Å; E496-R550 PolarHBondContact OE2-NH2 3.19Å; R550-Q552 VanDerWaalsContact C-N 3.26Å; R550-Q552 PolarHBondContact O-N 3.44Å
551	K	97.1	Very high	97.5	Very high	39 Å²	39	71.6 Å²	71.6	17%	0.17	35%	0.345	C	S	.	.			trans	-86.3	31.7	178.5	-59.5	-60.3	-153.6	-143.8	0	113.9	E496 T549 K553 Y554	E496-K551 IonicContact OE1-NZ 2.72Å; E496-K551 PolarHBondContact OE1-NZ 2.83Å; E496-K551 WeakPolarHBondContact OE2-CD 3.39Å; E496-K551 WeakPolarHBondContact OE2-CE 3.44Å; E496-K551 IonicContact OE2-NZ 3.45Å; E496-K551 PolarHBondContact OE2-NZ 3.05Å; T549-K551 HydrophobicContact CG2-CB 4.45Å; T549-K551 PolarHBondContact O-N 3.17Å; T549-K551 WeakPolarHBondContact OG1-CB 3.32Å; T549-K551 PolarHBondContact OG1-N 3.16Å; K551-K553 PolarHBondContact O-N 3.29Å; K551-Y554 HydrophobicContact CB-CD2 3.58Å; K551-Y554 HydrophobicContact CB-CE2 3.66Å; K551-Y554 HydrophobicContact CD-CE2 4.02Å; K551-Y554 HydrophobicContact CG-CD2 4.27Å; K551-Y554 HydrophobicContact CG-CE2 3.85Å; K551-Y554 PolarHBondContact O-N 2.77Å
552	Q	97.3	Very high	97.5	Very high	91 Å²	91	73.7 Å²	73.7	43%	0.425	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-48.6	-29.9	-177.1	-67.7	-58.1	-38	0	0	114.6	I546 T549 R550 Y554 F555	I546-Q552 PolarHBondContact O-NE2 3.42Å; T549-Q552 PolarHBondContact O-NE2 2.88Å; R550-Q552 VanDerWaalsContact C-N 3.26Å; R550-Q552 PolarHBondContact O-N 3.44Å; Q552-Y554 PolarHBondContact O-N 3.35Å; Q552-F555 PolarHBondContact O-N 3.48Å
553	K	97.8	Very high	97.4	Very high	166 Å²	166	75.7 Å²	75.7	72%	0.722	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-56.8	-12.2	174.2	69.7	171.6	-174.3	174.1	0	116.3	K551	K551-K553 PolarHBondContact O-N 3.29Å
554	Y	97.9	Very high	97.2	Very high	18 Å²	18	75 Å²	75	7%	0.071	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-87.5	-10.6	173.4	-59.9	-34.9	0	0	0	113.2	N527 R528 L531 K551 Q552 V561	N527-Y554 HydrophobicContact CB-CE1 4.49Å; N527-Y554 HydrophobicContact CB-CE2 4.01Å; N527-Y554 VanDerWaalsContact CB-OH 3.28Å; N527-Y554 WeakPolarHBondContact CB-OH 3.24Å; N527-Y554 PolarHBondContact ND2-OH 2.91Å; R528-Y554 HydrophobicContact CB-CD1 3.79Å; R528-Y554 HydrophobicContact CB-CE1 4.11Å; R528-Y554 HydrophobicContact CB-CG 4.27Å; R528-Y554 HydrophobicContact CG-CD1 4.19Å; R528-Y554 HydrophobicContact CG-CG 4.49Å; L531-Y554 HydrophobicContact CD1-CD2 3.92Å; K551-Y554 HydrophobicContact CB-CD2 3.58Å; K551-Y554 HydrophobicContact CB-CE2 3.66Å; K551-Y554 HydrophobicContact CD-CE2 4.02Å; K551-Y554 HydrophobicContact CG-CD2 4.27Å; K551-Y554 HydrophobicContact CG-CE2 3.85Å; K551-Y554 PolarHBondContact O-N 2.77Å; Q552-Y554 PolarHBondContact O-N 3.35Å; Y554-V561 PolarHBondContact O-N 3.02Å
555	F	98.2	Very high	97.2	Very high	19 Å²	19	77.6 Å²	77.6	8%	0.083	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.6	-170.3	-58.1	-88.5	0	0	0	112.4	L495 I541 I546 T549 Q552 G559 L560	L495-F555 HydrophobicContact CD2-CE2 3.86Å; L495-F555 HydrophobicContact CD2-CZ 3.9Å; I541-F555 HydrophobicContact CD1-CE1 4.36Å; I541-F555 HydrophobicContact CD1-CZ 4.45Å; I546-F555 HydrophobicContact CB-CD1 4.46Å; I546-F555 HydrophobicContact CB-CE1 4.31Å; I546-F555 HydrophobicContact CD1-CD1 4.07Å; I546-F555 HydrophobicContact CD1-CE1 3.76Å; I546-F555 HydrophobicContact CG1-CD1 4.22Å; I546-F555 HydrophobicContact CG1-CE1 3.71Å; I546-F555 HydrophobicContact CG1-CZ 4.1Å; I546-F555 HydrophobicContact CG2-CB 4.13Å; I546-F555 HydrophobicContact CG2-CD1 3.49Å; I546-F555 VanDerWaalsContact CG2-CD1 3.49Å; I546-F555 HydrophobicContact CG2-CD2 4.03Å; I546-F555 HydrophobicContact CG2-CE1 3.79Å; I546-F555 HydrophobicContact CG2-CE2 4.31Å; I546-F555 HydrophobicContact CG2-CG 3.62Å; I546-F555 HydrophobicContact CG2-CZ 4.2Å; T549-F555 HydrophobicContact CG2-CD2 4.42Å; T549-F555 HydrophobicContact CG2-CE2 3.97Å; Q552-F555 PolarHBondContact O-N 3.48Å; F555-G559 CarbonylContact C-O 3.43Å; F555-G559 WeakPolarHBondContact CA-O 3.3Å; F555-L560 HydrophobicContact CD1-CD2 3.74Å; F555-L560 HydrophobicContact CD1-CG 4.13Å; F555-L560 HydrophobicContact CE1-CD2 3.31Å; F555-L560 HydrophobicContact CE1-CG 3.78Å; F555-L560 HydrophobicContact CE2-CD2 4.38Å; F555-L560 HydrophobicContact CG-CD2 4.44Å; F555-L560 HydrophobicContact CZ-CD2 3.68Å
556	Y	97.6	Very high	97.1	Very high	164 Å²	164	79 Å²	79	64%	0.643	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.3	126.3	171.5	177.1	-114.9	0	0	0	109.2	G558 G559	Y556-G558 PolarHBondContact O-N 3.43Å; Y556-G558 VanDerWaalsContact O-N 3.09Å; Y556-G559 PolarHBondContact N-O 2.89Å; Y556-G559 PolarHBondContact O-N 3.26Å; Y556-G559 VanDerWaalsContact O-N 3.07Å
557	K	96	Very high	96.9	Very high	185 Å²	185	82.1 Å²	82.1	80%	0.804	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	32.5	-174.5	-60.3	-175.4	175.4	-176.2	0	114
558	G	92.4	Very high	96.8	Very high	40 Å²	40	79.4 Å²	79.4	41%	0.412	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-10	179.3	0	0	0	0	0	116.1	I546 Y556	I546-G558 VanDerWaalsContact CD1-O 3.24Å; I546-G558 WeakPolarHBondContact CD1-O 3.36Å; Y556-G558 PolarHBondContact O-N 3.43Å; Y556-G558 VanDerWaalsContact O-N 3.09Å
559	G	96.1	Very high	96.7	Very high	36 Å²	36	72.5 Å²	72.5	37%	0.371	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	157.3	173.4	0	0	0	0	0	112.7	F555 Y556	F555-G559 CarbonylContact C-O 3.43Å; F555-G559 WeakPolarHBondContact CA-O 3.3Å; Y556-G559 PolarHBondContact N-O 2.89Å; Y556-G559 PolarHBondContact O-N 3.26Å; Y556-G559 VanDerWaalsContact O-N 3.07Å
560	L	97.3	Very high	96.7	Very high	25 Å²	25	78 Å²	78	13%	0.131	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	137.4	173.3	-76.5	171.5	0	0	0	111.8	L531 V532 E535 I541 F555 W562	L531-L560 HydrophobicContact CB-CD1 3.75Å; L531-L560 HydrophobicContact CB-CD2 3.99Å; L531-L560 HydrophobicContact CD1-CD2 4.22Å; V532-L560 HydrophobicContact CB-CD1 4.37Å; V532-L560 HydrophobicContact CG2-CB 4.06Å; V532-L560 HydrophobicContact CG2-CD1 3.66Å; V532-L560 HydrophobicContact CG2-CG 4.43Å; E535-L560 HydrophobicContact CG-CD1 3.97Å; E535-L560 WeakPolarHBondContact OE2-CD1 3.11Å; I541-L560 HydrophobicContact CD1-CD1 4Å; I541-L560 HydrophobicContact CD1-CG 4.45Å; F555-L560 HydrophobicContact CD1-CD2 3.74Å; F555-L560 HydrophobicContact CD1-CG 4.13Å; F555-L560 HydrophobicContact CE1-CD2 3.31Å; F555-L560 HydrophobicContact CE1-CG 3.78Å; F555-L560 HydrophobicContact CE2-CD2 4.38Å; F555-L560 HydrophobicContact CG-CD2 4.44Å; F555-L560 HydrophobicContact CZ-CD2 3.68Å; L560-W562 PolarHBondContact O-N 2.99Å; L560-W562 VanDerWaalsContact O-N 3.12Å
561	V	97.6	Very high	96.6	Very high	60 Å²	60	73.5 Å²	73.5	36%	0.364	37%	0.366	S	S	.	.			trans	-79.2	94.1	176.8	-178.3	0	0	0	0	109.3	R528 Y554	R528-V561 VanDerWaalsContact CD-O 3.27Å; R528-V561 WeakPolarHBondContact CD-O 3.49Å; R528-V561 PolarHBondContact NH1-O 3.28Å; Y554-V561 PolarHBondContact O-N 3.02Å
562	W	97.6	Very high	96.6	Very high	52 Å²	52	71.7 Å²	71.7	20%	0.197	36%	0.358	C	S	.	.			trans	-131.9	150.5	-178	-168.8	-113.5	0	0	0	112.4	E529 V532 L560 D568 V572	E529-W562 HydrophobicContact CB-CH2 3.93Å; E529-W562 HydrophobicContact CB-CZ3 4.01Å; E529-W562 HydrophobicContact CG-CH2 3.86Å; E529-W562 HydrophobicContact CG-CZ3 4.44Å; V532-W562 HydrophobicContact CB-CD2 4.22Å; V532-W562 HydrophobicContact CB-CE3 4.47Å; V532-W562 HydrophobicContact CB-CG 4.4Å; V532-W562 HydrophobicContact CG1-CD2 4.02Å; V532-W562 HydrophobicContact CG1-CG 3.9Å; V532-W562 HydrophobicContact CG2-CB 3.86Å; V532-W562 HydrophobicContact CG2-CD2 3.79Å; V532-W562 HydrophobicContact CG2-CE3 3.88Å; V532-W562 HydrophobicContact CG2-CG 3.8Å; L560-W562 PolarHBondContact O-N 2.99Å; L560-W562 VanDerWaalsContact O-N 3.12Å; W562-D568 HydrophobicContact CH2-CB 4.17Å; W562-D568 HydrophobicContact CZ2-CB 4.44Å; W562-V572 HydrophobicContact CH2-CG2 4.41Å; W562-V572 HydrophobicContact CZ2-CB 4.2Å; W562-V572 HydrophobicContact CZ2-CG2 3.83Å
563	D	96.5	Very high	96.5	Very high	79 Å²	79	73.1 Å²	73.1	42%	0.422	36%	0.363	S	S	.	.			trans	-115.8	101	172.5	174	21.6	0	0	0	109.7	N565 S566 G569	D563-N565 PolarHBondContact O-N 3.24Å; D563-N565 VanDerWaalsContact O-N 3.17Å; D563-N565 WeakPolarHBondContact OD1-CA 3.25Å; D563-N565 WeakPolarHBondContact OD1-CB 3.36Å; D563-N565 PolarHBondContact OD1-N 3.38Å; D563-S566 WeakPolarHBondContact O-CB 3.48Å; D563-S566 PolarHBondContact O-N 2.84Å; D563-S566 PolarHBondContact O-OG 2.88Å; D563-S566 WeakPolarHBondContact OD2-CB 3.41Å; D563-S566 PolarHBondContact OD2-N 3.46Å; D563-G569 WeakPolarHBondContact O-CA 3.25Å
564	E	95.3	Very high	96.4	Very high	63 Å²	63	71 Å²	71	29%	0.294	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.2	175.7	-58.8	-72.6	143.5	0	0	113.3	K536 G569 R570	K536-E564 WeakPolarHBondContact CE-OE1 3.38Å; K536-E564 IonicContact NZ-OE1 3.23Å; K536-E564 PolarHBondContact NZ-OE1 3.19Å; K536-E564 IonicContact NZ-OE2 3.46Å; K536-E564 PolarHBondContact NZ-OE2 3.26Å; E564-G569 CarbonylContact O-C 3.52Å; E564-R570 PolarHBondContact O-N 3.13Å
565	N	96.6	Very high	96.3	Very high	121 Å²	121	74 Å²	74	65%	0.647	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-10	-176.8	-56.1	-59.6	0	0	0	113.1	D563 R570	D563-N565 PolarHBondContact O-N 3.24Å; D563-N565 VanDerWaalsContact O-N 3.17Å; D563-N565 WeakPolarHBondContact OD1-CA 3.25Å; D563-N565 WeakPolarHBondContact OD1-CB 3.36Å; D563-N565 PolarHBondContact OD1-N 3.38Å; N565-R570 PolarHBondContact O-NH1 3.45Å
566	S	96.9	Very high	96.3	Very high	31 Å²	31	73.7 Å²	73.7	22%	0.217	37%	0.373	C	S	.	.	S	Bend	trans	-63.5	169.1	172.9	68	0	0	0	0	112.1	D563 D568 G569 R570	D563-S566 WeakPolarHBondContact O-CB 3.48Å; D563-S566 PolarHBondContact O-N 2.84Å; D563-S566 PolarHBondContact O-OG 2.88Å; D563-S566 WeakPolarHBondContact OD2-CB 3.41Å; D563-S566 PolarHBondContact OD2-N 3.46Å; S566-D568 PolarHBondContact O-N 3.42Å; S566-G569 PolarHBondContact OG-N 2.84Å; S566-R570 WeakPolarHBondContact O-CG 3.43Å; S566-R570 PolarHBondContact O-N 3.23Å; S566-R570 PolarHBondContact O-NH1 3.4Å
567	S	95.4	Very high	96.3	Very high	73 Å²	73	69.7 Å²	69.7	51%	0.51	36%	0.359	S	S	.	.	H	α-helix	trans	-56.1	-41	172.7	44	0	0	0	0	112.2	Y571	S567-Y571 PolarHBondContact O-N 2.98Å; S567-Y571 VanDerWaalsContact O-N 3.16Å
568	D	95.7	Very high	96.5	Very high	83 Å²	83	65.1 Å²	65.1	44%	0.444	35%	0.348	S	S	.	.	H	α-helix	trans	-85.3	-35.6	-169.5	-46.1	-13	0	0	0	108.7	W562 S566 R570 Y571 V572	W562-D568 HydrophobicContact CH2-CB 4.17Å; W562-D568 HydrophobicContact CZ2-CB 4.44Å; S566-D568 PolarHBondContact O-N 3.42Å; D568-R570 PolarHBondContact O-N 3.37Å; D568-Y571 PolarHBondContact O-N 3.07Å; D568-V572 WeakPolarHBondContact O-CG2 3.46Å; D568-V572 PolarHBondContact O-N 3.39Å
569	G	96.3	Very high	96.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-57.7	-44.1	168.2	0	0	0	0	0	113.4	D563 E564 S566 K573	D563-G569 WeakPolarHBondContact O-CA 3.25Å; E564-G569 CarbonylContact O-C 3.52Å; S566-G569 PolarHBondContact OG-N 2.84Å; G569-K573 WeakPolarHBondContact O-CB 3.36Å; G569-K573 PolarHBondContact O-N 3.36Å
570	R	96.6	Very high	96.8	Very high	122 Å²	122	68 Å²	68	46%	0.46	34%	0.339	S	S	.	.	H	α-helix	trans	-64.5	-46	173.2	-69.3	-169.1	-52.3	-89	4.9	112	E564 N565 S566 D568 V572 K573 E574	E564-R570 PolarHBondContact O-N 3.13Å; N565-R570 PolarHBondContact O-NH1 3.45Å; S566-R570 WeakPolarHBondContact O-CG 3.43Å; S566-R570 PolarHBondContact O-N 3.23Å; S566-R570 PolarHBondContact O-NH1 3.4Å; D568-R570 PolarHBondContact O-N 3.37Å; R570-V572 PolarHBondContact O-N 3.26Å; R570-K573 PolarHBondContact O-N 3.4Å; R570-E574 VanDerWaalsContact O-CB 3.28Å; R570-E574 WeakPolarHBondContact O-CB 3.34Å; R570-E574 VanDerWaalsContact O-CG 3.25Å; R570-E574 WeakPolarHBondContact O-CG 3.28Å; R570-E574 PolarHBondContact O-N 3.04Å
571	Y	96.4	Very high	96.9	Very high	77 Å²	77	70.4 Å²	70.4	30%	0.302	36%	0.358	S	S	.	.	H	α-helix	trans	-56	-49.2	175.6	170.4	-105.4	0	0	0	112.1	Q523 M533 S567 D568 E574 N575	Q523-Y571 PolarHBondContact OE1-OH 3.14Å; M533-Y571 HydrophobicContact CE-CD1 4.34Å; M533-Y571 HydrophobicContact CE-CE1 3.81Å; S567-Y571 PolarHBondContact O-N 2.98Å; S567-Y571 VanDerWaalsContact O-N 3.16Å; D568-Y571 PolarHBondContact O-N 3.07Å; Y571-E574 PolarHBondContact O-N 2.86Å; Y571-N575 VanDerWaalsContact CD2-ND2 3.26Å; Y571-N575 WeakPolarHBondContact CD2-ND2 3.47Å; Y571-N575 HydrophobicContact CE2-CB 4.25Å; Y571-N575 WeakPolarHBondContact O-CB 3.45Å; Y571-N575 PolarHBondContact O-N 3.05Å; Y571-N575 PolarHBondContact O-ND2 3.38Å
572	V	97.1	Very high	96.9	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-46.5	176.9	170.1	0	0	0	0	111.1	E529 V532 M533 K536 W562 D568 R570 E574 N575 C576	E529-V572 HydrophobicContact CG-CG2 4.18Å; V532-V572 HydrophobicContact CG1-CG1 4.14Å; M533-V572 HydrophobicContact CE-CG2 3.78Å; M533-V572 HydrophobicContact CG-CG1 4.3Å; M533-V572 HydrophobicContact CG-CG2 4.01Å; K536-V572 HydrophobicContact CG-CG1 3.91Å; W562-V572 HydrophobicContact CH2-CG2 4.41Å; W562-V572 HydrophobicContact CZ2-CB 4.2Å; W562-V572 HydrophobicContact CZ2-CG2 3.83Å; D568-V572 WeakPolarHBondContact O-CG2 3.46Å; D568-V572 PolarHBondContact O-N 3.39Å; R570-V572 PolarHBondContact O-N 3.26Å; V572-E574 VanDerWaalsContact C-N 3.3Å; V572-E574 PolarHBondContact O-N 2.67Å; V572-N575 PolarHBondContact O-N 3.01Å; V572-C576 HydrophobicContact CG1-CB 4.18Å; V572-C576 WeakPolarHBondContact O-CA 3.19Å; V572-C576 WeakPolarHBondContact O-CB 3.21Å; V572-C576 PolarHBondContact O-N 3.17Å
573	K	94.7	Very high	97	Very high	121 Å²	121	67.7 Å²	67.7	53%	0.526	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-34.8	177.9	-179.6	178.5	176.9	-178.9	0	113	G569 R570 K577	G569-K573 WeakPolarHBondContact O-CB 3.36Å; G569-K573 PolarHBondContact O-N 3.36Å; R570-K573 PolarHBondContact O-N 3.4Å; K573-K577 PolarHBondContact O-NZ 3.43Å
574	E	96.3	Very high	96.9	Very high	123 Å²	123	68.4 Å²	68.4	58%	0.575	35%	0.347	S	S	*	.	H	α-helix	trans	-76.4	-42	178.7	-75.2	162.5	-155.2	0	0	112.2	R570 Y571 V572 K577	R570-E574 VanDerWaalsContact O-CB 3.28Å; R570-E574 WeakPolarHBondContact O-CB 3.34Å; R570-E574 VanDerWaalsContact O-CG 3.25Å; R570-E574 WeakPolarHBondContact O-CG 3.28Å; R570-E574 PolarHBondContact O-N 3.04Å; Y571-E574 PolarHBondContact O-N 2.86Å; V572-E574 VanDerWaalsContact C-N 3.3Å; V572-E574 PolarHBondContact O-N 2.67Å; E574-K577 WeakPolarHBondContact O-CE 3.25Å; E574-K577 PolarHBondContact O-NZ 3.45Å
575	N	96.6	Very high	97	Very high	81 Å²	81	70.9 Å²	70.9	43%	0.433	36%	0.358	S	S	.	.	H	α-helix	trans	-104.2	-26.3	-167.5	-64.6	-92.5	0	0	0	114.6	Y571 V572 Y582	Y571-N575 VanDerWaalsContact CD2-ND2 3.26Å; Y571-N575 WeakPolarHBondContact CD2-ND2 3.47Å; Y571-N575 HydrophobicContact CE2-CB 4.25Å; Y571-N575 WeakPolarHBondContact O-CB 3.45Å; Y571-N575 PolarHBondContact O-N 3.05Å; Y571-N575 PolarHBondContact O-ND2 3.38Å; V572-N575 PolarHBondContact O-N 3.01Å; N575-Y582 PolarHBondContact O-OH 3Å
576	C	97.8	Very high	97	Very high	12 Å²	12	71.7 Å²	71.7	8%	0.081	36%	0.363	C	S	.	.			trans	-95.7	116.4	179.4	-56.7	0	0	0	0	110.6	K536 I537 V572 Y582	K536-C576 HydrophobicContact CB-CB 3.9Å; K536-C576 HydrophobicContact CG-CB 4.41Å; I537-C576 HydrophobicContact CD1-CB 4.09Å; I537-C576 HydrophobicContact CG1-CB 4.06Å; V572-C576 HydrophobicContact CG1-CB 4.18Å; V572-C576 WeakPolarHBondContact O-CA 3.19Å; V572-C576 WeakPolarHBondContact O-CB 3.21Å; V572-C576 PolarHBondContact O-N 3.17Å; C576-Y582 WeakPolarHBondContact CA-OH 3.35Å
577	K	97.9	Very high	97	Very high	80 Å²	80	72.4 Å²	72.4	35%	0.348	37%	0.368	S	S	.	.			trans	-127.3	160.7	-176.6	-53.5	-60.2	-179.7	-162.2	0	110.9	K536 I537 K573 E574 L579 S581 Y582	K536-K577 CarbonylContact O-C 3.5Å; I537-K577 WeakPolarHBondContact CA-O 3.22Å; I537-K577 WeakPolarHBondContact CG1-O 3.46Å; K573-K577 PolarHBondContact O-NZ 3.43Å; E574-K577 WeakPolarHBondContact O-CE 3.25Å; E574-K577 PolarHBondContact O-NZ 3.45Å; K577-L579 PolarHBondContact O-N 2.92Å; K577-S581 WeakPolarHBondContact CB-OG 3.34Å; K577-Y582 HydrophobicContact CB-CE2 4.33Å; K577-Y582 PolarHBondContact N-OH 2.86Å; K577-Y582 VanDerWaalsContact O-CE2 3.26Å; K577-Y582 WeakPolarHBondContact O-CE2 3.44Å
578	P	98.7	Very high	97.2	Very high	88 Å²	88	74.8 Å²	74.8	57%	0.571	37%	0.374	S	S	*	.			trans	-54.7	133.6	177.1	-26.2	35.7	0	0	0	112.1	I537 K580 S581	I537-P578 CarbonylContact O-C 3.32Å; I537-P578 WeakPolarHBondContact O-CA 3.36Å; P578-K580 PolarHBondContact O-N 2.9Å; P578-S581 PolarHBondContact O-N 3.19Å; P578-S581 PolarHBondContact O-OG 2.85Å; P578-S581 VanDerWaalsContact O-OG 3.1Å
579	L	98.6	Very high	97.3	Very high	7 Å²	7	74.5 Å²	74.5	4%	0.037	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-46	-41.6	-163.6	-175.5	64.2	0	0	0	114.7	F513 L521 I537 L538 K577 S581 Y582 F594 M597 R598 L601	F513-L579 HydrophobicContact CD2-CD1 4.04Å; F513-L579 HydrophobicContact CE2-CD1 4.24Å; L521-L579 HydrophobicContact CD1-CD1 4.31Å; I537-L579 HydrophobicContact CG2-CB 3.98Å; I537-L579 HydrophobicContact CG2-CD1 4.04Å; I537-L579 PolarHBondContact O-N 3.14Å; L538-L579 HydrophobicContact CD2-CB 4.4Å; L538-L579 HydrophobicContact CD2-CD2 4.01Å; K577-L579 PolarHBondContact O-N 2.92Å; L579-S581 VanDerWaalsContact C-N 3.27Å; L579-S581 PolarHBondContact O-N 2.85Å; L579-Y582 WeakPolarHBondContact O-CD2 3.28Å; L579-Y582 PolarHBondContact O-N 3.44Å; L579-F594 HydrophobicContact CG-CD1 4.16Å; L579-F594 HydrophobicContact CG-CE1 4.44Å; L579-F594 WeakPolarHBondContact O-CD1 3.38Å; L579-F594 WeakPolarHBondContact O-CE1 3.22Å; L579-M597 HydrophobicContact CD2-CB 4.49Å; L579-R598 HydrophobicContact CD2-CB 4.06Å; L579-L601 HydrophobicContact CD2-CD1 4.2Å
580	K	98	Very high	97.4	Very high	130 Å²	130	75.2 Å²	75.2	57%	0.565	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-63.3	-25.3	-179.3	-65.6	-168.2	176.1	-170.6	0	114.1	P578 Y582 M583	P578-K580 PolarHBondContact O-N 2.9Å; K580-Y582 PolarHBondContact O-N 3.25Å; K580-Y582 VanDerWaalsContact O-N 3.13Å; K580-M583 HydrophobicContact CB-SD 4.37Å; K580-M583 WeakPolarHBondContact O-CB 3.22Å; K580-M583 WeakPolarHBondContact O-CG 3.1Å; K580-M583 PolarHBondContact O-N 3.36Å; K580-M583 VanDerWaalsContact O-N 3.11Å
581	S	98.2	Very high	97.5	Very high	76 Å²	76	72.2 Å²	72.2	53%	0.531	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-74	1.6	177.7	78.4	0	0	0	0	114.1	K577 P578 L579	K577-S581 WeakPolarHBondContact CB-OG 3.34Å; P578-S581 PolarHBondContact O-N 3.19Å; P578-S581 PolarHBondContact O-OG 2.85Å; P578-S581 VanDerWaalsContact O-OG 3.1Å; L579-S581 VanDerWaalsContact C-N 3.27Å; L579-S581 PolarHBondContact O-N 2.85Å
582	Y	98.4	Very high	97.6	Very high	21 Å²	21	70.3 Å²	70.3	8%	0.082	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-94.4	1.4	168.6	-61.5	-77.7	0	0	0	113.2	F513 R517 N575 C576 K577 L579 K580	F513-Y582 HydrophobicContact CE2-CD1 4.19Å; F513-Y582 AromaticContact CE2-CD2 3.62Å; F513-Y582 HydrophobicContact CE2-CD2 3.62Å; F513-Y582 HydrophobicContact CE2-CE2 4.31Å; F513-Y582 AromaticContact CE2-CG 3.54Å; F513-Y582 HydrophobicContact CE2-CG 3.54Å; F513-Y582 AromaticContact CZ-CD1 3.86Å; F513-Y582 HydrophobicContact CZ-CD1 3.86Å; F513-Y582 AromaticContact CZ-CD2 3.96Å; F513-Y582 HydrophobicContact CZ-CD2 3.96Å; F513-Y582 HydrophobicContact CZ-CE1 4.25Å; F513-Y582 HydrophobicContact CZ-CE2 4.32Å; F513-Y582 AromaticContact CZ-CG 3.71Å; F513-Y582 HydrophobicContact CZ-CG 3.71Å; R517-Y582 WeakPolarHBondContact CD-O 3.44Å; R517-Y582 PolarHBondContact NH1-O 3.42Å; N575-Y582 PolarHBondContact O-OH 3Å; C576-Y582 WeakPolarHBondContact CA-OH 3.35Å; K577-Y582 HydrophobicContact CB-CE2 4.33Å; K577-Y582 PolarHBondContact N-OH 2.86Å; K577-Y582 VanDerWaalsContact O-CE2 3.26Å; K577-Y582 WeakPolarHBondContact O-CE2 3.44Å; L579-Y582 WeakPolarHBondContact O-CD2 3.28Å; L579-Y582 PolarHBondContact O-N 3.44Å; K580-Y582 PolarHBondContact O-N 3.25Å; K580-Y582 VanDerWaalsContact O-N 3.13Å
583	M	98.3	Very high	97.7	Very high	33 Å²	33	70.3 Å²	70.3	16%	0.163	36%	0.362	C	S	.	.			trans	-59.4	136.2	169.2	-73.3	168.6	52.9	0	0	110.6	K580 Q585 D586 H590 V591 F594	K580-M583 HydrophobicContact CB-SD 4.37Å; K580-M583 WeakPolarHBondContact O-CB 3.22Å; K580-M583 WeakPolarHBondContact O-CG 3.1Å; K580-M583 PolarHBondContact O-N 3.36Å; K580-M583 VanDerWaalsContact O-N 3.11Å; M583-Q585 WeakPolarHBondContact CE-O 3.47Å; M583-D586 WeakPolarHBondContact CE-OD1 3.42Å; M583-H590 HydrophobicContact CE-CB 4.35Å; M583-V591 HydrophobicContact CE-CG2 3.78Å; M583-F594 HydrophobicContact CB-CE2 4.43Å; M583-F594 HydrophobicContact CG-CB 4.29Å; M583-F594 HydrophobicContact CG-CD1 3.77Å; M583-F594 HydrophobicContact CG-CD2 3.44Å; M583-F594 VanDerWaalsContact CG-CD2 3.44Å; M583-F594 HydrophobicContact CG-CE1 3.93Å; M583-F594 HydrophobicContact CG-CE2 3.61Å; M583-F594 HydrophobicContact CG-CG 3.53Å; M583-F594 HydrophobicContact CG-CZ 3.85Å; M583-F594 HydrophobicContact SD-CB 4.15Å; M583-F594 HydrophobicContact SD-CD1 4.47Å; M583-F594 HydrophobicContact SD-CD2 4.33Å; M583-F594 HydrophobicContact SD-CG 4.04Å
584	L	96.1	Very high	97.9	Very high	94 Å²	94	64.6 Å²	64.6	49%	0.492	34%	0.337	S	S	.	.	S	Bend	trans	-93.7	-15.1	176.7	-59.4	173.7	0	0	0	112.8	Y516	Y516-L584 HydrophobicContact CE1-CB 4.44Å; Y516-L584 HydrophobicContact CE1-CD1 4.07Å; Y516-L584 HydrophobicContact CE1-CG 3.84Å; Y516-L584 WeakPolarHBondContact OH-CB 3.31Å; Y516-L584 PolarHBondContact OH-N 2.72Å
585	Q	96.3	Very high	98	Very high	115 Å²	115	62.1 Å²	62.1	54%	0.537	33%	0.328	S	S	.	.			trans	-154.3	155.2	173.7	-48.9	176.2	4.8	0	0	108.1	M583 H590	M583-Q585 WeakPolarHBondContact CE-O 3.47Å; Q585-H590 VanDerWaalsContact CB-CE1 3.5Å; Q585-H590 WeakPolarHBondContact CB-CE1 3.45Å; Q585-H590 WeakPolarHBondContact CB-ND1 3.39Å; Q585-H590 VanDerWaalsContact CG-CE1 3.5Å; Q585-H590 WeakPolarHBondContact CG-CE1 3.46Å; Q585-H590 PolarHBondContact N-ND1 3.33Å; Q585-H590 WeakPolarHBondContact O-CB 3.46Å; Q585-H590 PolarHBondContact O-ND1 2.83Å; Q585-H590 VanDerWaalsContact O-ND1 3.15Å
586	D	96.8	Very high	98.1	Very high	139 Å²	139	58.3 Å²	58.3	74%	0.743	31%	0.308	S	S	*	.			trans	-98.7	17.8	-178.6	-58.8	-51	0	0	0	113.8	M583	M583-D586 WeakPolarHBondContact CE-OD1 3.42Å
587	S	98.1	Very high	98.2	Very high	46 Å²	46	57.7 Å²	57.7	32%	0.322	30%	0.304	S	S	.	.	S	Bend	trans	-66.8	154.3	177.5	64.4	0	0	0	0	111.8	E589 H590 V591	S587-E589 PolarHBondContact O-N 2.98Å; S587-E589 VanDerWaalsContact O-N 3.14Å; S587-H590 WeakPolarHBondContact O-CA 3.49Å; S587-H590 WeakPolarHBondContact O-CB 3.48Å; S587-H590 PolarHBondContact O-N 2.9Å; S587-H590 PolarHBondContact OG-CD2 3.05Å; S587-V591 PolarHBondContact O-N 2.92Å
588	L	98.3	Very high	98.2	Very high	123 Å²	123	57.3 Å²	57.3	64%	0.644	30%	0.3	S	S	*	.	H	α-helix	trans	-54.9	-38.6	-174	178.6	60.6	0	0	0	113	H590 V591 Q592	L588-H590 VanDerWaalsContact C-N 3.32Å; L588-H590 PolarHBondContact O-N 3.47Å; L588-V591 PolarHBondContact O-N 2.84Å; L588-Q592 HydrophobicContact CD1-CG 4.31Å; L588-Q592 HydrophobicContact CG-CG 4.47Å; L588-Q592 WeakPolarHBondContact O-CB 3.29Å; L588-Q592 VanDerWaalsContact O-CG 3.25Å; L588-Q592 WeakPolarHBondContact O-CG 3.36Å; L588-Q592 PolarHBondContact O-N 3.01Å
589	E	98.1	Very high	98.2	Very high	77 Å²	77	56.9 Å²	56.9	36%	0.36	29%	0.287	S	S	.	.	H	α-helix	trans	-66.4	-33.9	178.6	-54.1	-165.6	130.9	0	0	112.7	L405 R409 S587 L593	L405-E589 HydrophobicContact CD2-CB 3.7Å; R409-E589 IonicContact CZ-OE1 3.29Å; R409-E589 VanDerWaalsContact CZ-OE1 3.29Å; R409-E589 IonicContact CZ-OE2 3.61Å; R409-E589 IonicContact NH1-OE1 2.77Å; R409-E589 PolarHBondContact NH1-OE1 3.45Å; R409-E589 IonicContact NH1-OE2 3.62Å; R409-E589 IonicContact NH2-OE1 3.14Å; R409-E589 PolarHBondContact NH2-OE1 3.16Å; R409-E589 VanDerWaalsContact NH2-OE1 3.14Å; R409-E589 IonicContact NH2-OE2 2.72Å; R409-E589 PolarHBondContact NH2-OE2 2.79Å; S587-E589 PolarHBondContact O-N 2.98Å; S587-E589 VanDerWaalsContact O-N 3.14Å; E589-L593 PolarHBondContact O-N 3.46Å
590	H	98.6	Very high	98.3	Very high	14 Å²	14	56.6 Å²	56.6	7%	0.065	29%	0.286	C	S	.	.	H	α-helix	trans	-70.1	-44.5	174	-74.1	-136	0	0	0	110.6	L405 Y516 M583 Q585 S587 L588 Q592 L593 F594	L405-H590 WeakPolarHBondContact CD2-CD2 3.44Å; Y516-H590 AromaticContact CZ-ND1 3.87Å; Y516-H590 PolarHBondContact OH-CE1 2.85Å; Y516-H590 VanDerWaalsContact OH-CE1 3.27Å; Y516-H590 PolarHBondContact OH-ND1 3.29Å; M583-H590 HydrophobicContact CE-CB 4.35Å; Q585-H590 VanDerWaalsContact CB-CE1 3.5Å; Q585-H590 WeakPolarHBondContact CB-CE1 3.45Å; Q585-H590 WeakPolarHBondContact CB-ND1 3.39Å; Q585-H590 VanDerWaalsContact CG-CE1 3.5Å; Q585-H590 WeakPolarHBondContact CG-CE1 3.46Å; Q585-H590 PolarHBondContact N-ND1 3.33Å; Q585-H590 WeakPolarHBondContact O-CB 3.46Å; Q585-H590 PolarHBondContact O-ND1 2.83Å; Q585-H590 VanDerWaalsContact O-ND1 3.15Å; S587-H590 WeakPolarHBondContact O-CA 3.49Å; S587-H590 WeakPolarHBondContact O-CB 3.48Å; S587-H590 PolarHBondContact O-N 2.9Å; S587-H590 PolarHBondContact OG-CD2 3.05Å; L588-H590 VanDerWaalsContact C-N 3.32Å; L588-H590 PolarHBondContact O-N 3.47Å; H590-Q592 VanDerWaalsContact C-N 3.28Å; H590-Q592 PolarHBondContact O-N 3.36Å; H590-L593 PolarHBondContact O-N 3.08Å; H590-F594 WeakPolarHBondContact O-CD2 3.41Å; H590-F594 PolarHBondContact O-N 2.88Å; H590-F594 VanDerWaalsContact O-N 3.08Å
591	V	98.7	Very high	98.3	Very high	60 Å²	60	50.4 Å²	50.4	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-57.2	-43.3	174.2	176.8	0	0	0	0	110.8	M583 S587 L588 F594 D595	M583-V591 HydrophobicContact CE-CG2 3.78Å; S587-V591 PolarHBondContact O-N 2.92Å; L588-V591 PolarHBondContact O-N 2.84Å; V591-F594 PolarHBondContact O-N 2.94Å; V591-D595 PolarHBondContact O-N 2.81Å
592	Q	98.8	Very high	98.3	Very high	36 Å²	36	49.2 Å²	49.2	17%	0.168	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-38.5	177.8	-73.9	172	-9.7	0	0	113.4	L588 H590 F594 D595 L596 H617 P618 F619	L588-Q592 HydrophobicContact CD1-CG 4.31Å; L588-Q592 HydrophobicContact CG-CG 4.47Å; L588-Q592 WeakPolarHBondContact O-CB 3.29Å; L588-Q592 VanDerWaalsContact O-CG 3.25Å; L588-Q592 WeakPolarHBondContact O-CG 3.36Å; L588-Q592 PolarHBondContact O-N 3.01Å; H590-Q592 VanDerWaalsContact C-N 3.28Å; H590-Q592 PolarHBondContact O-N 3.36Å; Q592-F594 VanDerWaalsContact C-N 3.34Å; Q592-D595 PolarHBondContact O-N 2.95Å; Q592-L596 PolarHBondContact O-N 3.45Å; Q592-H617 PolarHBondContact O-CE1 3.39Å; Q592-H617 VanDerWaalsContact O-CE1 3.24Å; Q592-P618 HydrophobicContact CG-CB 4.4Å; Q592-P618 PolarHBondContact OE1-O 2.83Å; Q592-F619 HydrophobicContact CB-CB 3.93Å; Q592-F619 HydrophobicContact CB-CD2 4.07Å; Q592-F619 HydrophobicContact CB-CG 4.46Å
593	L	98.9	Very high	98.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-45.7	172.1	173.7	61.2	0	0	0	110.8	L405 V408 L512 Y516 E589 H590 D595 L596 M597 F619	L405-L593 HydrophobicContact CD1-CB 4.3Å; L405-L593 HydrophobicContact CD1-CD2 3.56Å; L405-L593 HydrophobicContact CD1-CG 4.46Å; V408-L593 HydrophobicContact CG1-CD1 4.24Å; V408-L593 HydrophobicContact CG1-CD2 4.16Å; L512-L593 HydrophobicContact CD1-CD1 4.37Å; Y516-L593 HydrophobicContact CD2-CD2 3.48Å; Y516-L593 VanDerWaalsContact CD2-CD2 3.48Å; Y516-L593 HydrophobicContact CE2-CD2 4.02Å; Y516-L593 HydrophobicContact CG-CD2 3.8Å; E589-L593 PolarHBondContact O-N 3.46Å; H590-L593 PolarHBondContact O-N 3.08Å; L593-D595 PolarHBondContact O-N 2.88Å; L593-L596 PolarHBondContact O-N 3.13Å; L593-M597 HydrophobicContact CD1-CG 4.06Å; L593-M597 HydrophobicContact CD1-SD 4.22Å; L593-M597 HydrophobicContact CD2-CE 4.49Å; L593-M597 HydrophobicContact CG-CE 4.06Å; L593-M597 HydrophobicContact CG-CG 4.44Å; L593-M597 HydrophobicContact CG-SD 4.28Å; L593-M597 WeakPolarHBondContact O-CG 3.38Å; L593-M597 PolarHBondContact O-N 2.97Å; L593-F619 HydrophobicContact CB-CD2 4.07Å; L593-F619 HydrophobicContact CB-CE1 4.48Å; L593-F619 HydrophobicContact CB-CE2 3.71Å; L593-F619 HydrophobicContact CB-CZ 3.93Å; L593-F619 HydrophobicContact CD1-CD1 4.45Å; L593-F619 HydrophobicContact CD1-CE1 3.79Å; L593-F619 HydrophobicContact CD1-CE2 4.47Å; L593-F619 HydrophobicContact CD1-CZ 3.81Å; L593-F619 HydrophobicContact CG-CZ 4.3Å
594	F	98.8	Very high	98.4	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-72.3	-27.2	-177.5	-83.8	-104.1	0	0	0	113.4	Y516 L579 M583 H590 V591 Q592 M597 R598	Y516-F594 AromaticContact CD1-CE2 3.69Å; Y516-F594 HydrophobicContact CD1-CE2 3.69Å; Y516-F594 AromaticContact CD1-CZ 3.72Å; Y516-F594 HydrophobicContact CD1-CZ 3.72Å; Y516-F594 AromaticContact CE1-CE2 3.36Å; Y516-F594 HydrophobicContact CE1-CE2 3.36Å; Y516-F594 AromaticContact CE1-CZ 3.53Å; Y516-F594 HydrophobicContact CE1-CZ 3.53Å; Y516-F594 HydrophobicContact CG-CE2 4.41Å; Y516-F594 AromaticContact CZ-CE2 3.81Å; L579-F594 HydrophobicContact CG-CD1 4.16Å; L579-F594 HydrophobicContact CG-CE1 4.44Å; L579-F594 WeakPolarHBondContact O-CD1 3.38Å; L579-F594 WeakPolarHBondContact O-CE1 3.22Å; M583-F594 HydrophobicContact CB-CE2 4.43Å; M583-F594 HydrophobicContact CG-CB 4.29Å; M583-F594 HydrophobicContact CG-CD1 3.77Å; M583-F594 HydrophobicContact CG-CD2 3.44Å; M583-F594 VanDerWaalsContact CG-CD2 3.44Å; M583-F594 HydrophobicContact CG-CE1 3.93Å; M583-F594 HydrophobicContact CG-CE2 3.61Å; M583-F594 HydrophobicContact CG-CG 3.53Å; M583-F594 HydrophobicContact CG-CZ 3.85Å; M583-F594 HydrophobicContact SD-CB 4.15Å; M583-F594 HydrophobicContact SD-CD1 4.47Å; M583-F594 HydrophobicContact SD-CD2 4.33Å; M583-F594 HydrophobicContact SD-CG 4.04Å; H590-F594 WeakPolarHBondContact O-CD2 3.41Å; H590-F594 PolarHBondContact O-N 2.88Å; H590-F594 VanDerWaalsContact O-N 3.08Å; V591-F594 PolarHBondContact O-N 2.94Å; Q592-F594 VanDerWaalsContact C-N 3.34Å; F594-M597 HydrophobicContact CB-CE 4.42Å; F594-M597 HydrophobicContact CD1-CE 3.62Å; F594-M597 HydrophobicContact CD2-CE 3.61Å; F594-M597 HydrophobicContact CE1-CE 3.57Å; F594-M597 HydrophobicContact CE2-CE 3.58Å; F594-M597 HydrophobicContact CG-CE 3.65Å; F594-M597 HydrophobicContact CZ-CE 3.56Å; F594-R598 VanDerWaalsContact O-CB 3.29Å; F594-R598 WeakPolarHBondContact O-CB 3.28Å; F594-R598 PolarHBondContact O-N 3.38Å
595	D	98.9	Very high	98.5	Very high	72 Å²	72	45.3 Å²	45.3	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-67.2	-47.7	168.8	-162.3	71.5	0	0	0	111.5	V591 Q592 L593 M597 R598 R599 H617	V591-D595 PolarHBondContact O-N 2.81Å; Q592-D595 PolarHBondContact O-N 2.95Å; L593-D595 PolarHBondContact O-N 2.88Å; D595-M597 PolarHBondContact O-N 3.23Å; D595-R598 PolarHBondContact O-N 3.24Å; D595-R598 VanDerWaalsContact O-N 3.13Å; D595-R599 WeakPolarHBondContact O-CG 3.45Å; D595-R599 PolarHBondContact O-N 3.5Å; D595-H617 IonicContact OD2-NE2 3.36Å; D595-H617 PolarHBondContact OD2-NE2 3.36Å
596	L	98.9	Very high	98.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-47.1	175.8	-176.8	58.1	0	0	0	111.7	Q592 L593 R598 R599 M600 I609 A614 H617 F619 F620	Q592-L596 PolarHBondContact O-N 3.45Å; L593-L596 PolarHBondContact O-N 3.13Å; L596-R598 VanDerWaalsContact C-N 3.32Å; L596-R598 PolarHBondContact O-N 3.27Å; L596-R599 PolarHBondContact O-N 3.29Å; L596-M600 HydrophobicContact CD1-CE 3.97Å; L596-M600 HydrophobicContact CD2-CE 4.24Å; L596-M600 HydrophobicContact CG-CE 3.97Å; L596-M600 HydrophobicContact CG-SD 4.22Å; L596-M600 VanDerWaalsContact O-CG 3.32Å; L596-M600 WeakPolarHBondContact O-CG 3.2Å; L596-M600 PolarHBondContact O-N 3.21Å; L596-I609 HydrophobicContact CD1-CD1 4.28Å; L596-A614 HydrophobicContact CD1-CB 4.14Å; L596-H617 HydrophobicContact CD1-CB 3.99Å; L596-F619 HydrophobicContact CD2-CB 4.41Å; L596-F619 HydrophobicContact CD2-CD1 3.81Å; L596-F620 HydrophobicContact CD2-CE2 3.98Å; L596-F620 HydrophobicContact CD2-CZ 3.83Å
597	M	98.9	Very high	98.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-39.7	175.3	-70.2	-169.5	-53.3	0	0	111.6	L512 F513 L579 L593 F594 D595 M600 L601	L512-M597 HydrophobicContact CB-CG 4.04Å; L512-M597 HydrophobicContact CB-SD 3.9Å; F513-M597 HydrophobicContact CB-SD 3.95Å; F513-M597 PolarHBondContact N-SD 2.95Å; F513-M597 VanDerWaalsContact N-SD 3.4Å; L579-M597 HydrophobicContact CD2-CB 4.49Å; L593-M597 HydrophobicContact CD1-CG 4.06Å; L593-M597 HydrophobicContact CD1-SD 4.22Å; L593-M597 HydrophobicContact CD2-CE 4.49Å; L593-M597 HydrophobicContact CG-CE 4.06Å; L593-M597 HydrophobicContact CG-CG 4.44Å; L593-M597 HydrophobicContact CG-SD 4.28Å; L593-M597 WeakPolarHBondContact O-CG 3.38Å; L593-M597 PolarHBondContact O-N 2.97Å; F594-M597 HydrophobicContact CB-CE 4.42Å; F594-M597 HydrophobicContact CD1-CE 3.62Å; F594-M597 HydrophobicContact CD2-CE 3.61Å; F594-M597 HydrophobicContact CE1-CE 3.57Å; F594-M597 HydrophobicContact CE2-CE 3.58Å; F594-M597 HydrophobicContact CG-CE 3.65Å; F594-M597 HydrophobicContact CZ-CE 3.56Å; D595-M597 PolarHBondContact O-N 3.23Å; M597-M600 PolarHBondContact O-N 3.19Å; M597-L601 VanDerWaalsContact O-CB 3.3Å; M597-L601 WeakPolarHBondContact O-CB 3.48Å; M597-L601 VanDerWaalsContact O-CG 3.24Å; M597-L601 WeakPolarHBondContact O-CG 3.36Å; M597-L601 PolarHBondContact O-N 2.83Å
598	R	98.8	Very high	98.7	Very high	71 Å²	71	41.5 Å²	41.5	27%	0.268	21%	0.214	S	C	.	.	H	α-helix	trans	-68	-34.4	177.4	-175.1	55.7	-169.6	69.5	-1.7	112.4	L579 F594 D595 L596 L601 E602	L579-R598 HydrophobicContact CD2-CB 4.06Å; F594-R598 VanDerWaalsContact O-CB 3.29Å; F594-R598 WeakPolarHBondContact O-CB 3.28Å; F594-R598 PolarHBondContact O-N 3.38Å; D595-R598 PolarHBondContact O-N 3.24Å; D595-R598 VanDerWaalsContact O-N 3.13Å; L596-R598 VanDerWaalsContact C-N 3.32Å; L596-R598 PolarHBondContact O-N 3.27Å; R598-L601 CarbonylContact O-C 3.49Å; R598-L601 PolarHBondContact O-N 2.97Å; R598-E602 IonicContact CZ-OE1 3.54Å; R598-E602 IonicContact CZ-OE2 3.01Å; R598-E602 IonicContact NH1-OE1 3.35Å; R598-E602 PolarHBondContact NH1-OE1 3.49Å; R598-E602 IonicContact NH1-OE2 2.67Å; R598-E602 PolarHBondContact NH1-OE2 3.49Å; R598-E602 IonicContact NH2-OE2 3.85Å; R598-E602 PolarHBondContact NH2-OE2 2.93Å; R598-E602 PolarHBondContact O-N 3.33Å
599	R	98.9	Very high	98.8	Very high	80 Å²	80	35.8 Å²	35.8	30%	0.302	18%	0.184	S	C	.	.	H	α-helix	trans	-69.6	-31.9	172.7	-75.8	-89.8	-79	141.6	-1.5	112.9	D595 L596 I609 E613	D595-R599 WeakPolarHBondContact O-CG 3.45Å; D595-R599 PolarHBondContact O-N 3.5Å; L596-R599 PolarHBondContact O-N 3.29Å; R599-I609 HydrophobicContact CB-CB 4.06Å; R599-I609 HydrophobicContact CB-CD1 4.18Å; R599-I609 HydrophobicContact CB-CG2 3.99Å; R599-I609 WeakPolarHBondContact O-CG2 3.26Å; R599-I609 PolarHBondContact O-N 3.39Å; R599-E613 IonicContact CZ-OE1 2.84Å; R599-E613 IonicContact NH2-OE1 2.77Å; R599-E613 PolarHBondContact NH2-OE1 2.6Å
600	M	98.9	Very high	98.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-75.3	-30.7	172.1	-71.6	175	166.8	0	0	112.9	V505 I508 L512 L596 M597 R608 I609 A614	V505-M600 HydrophobicContact CG1-CB 3.98Å; V505-M600 HydrophobicContact CG1-CG 3.77Å; I508-M600 HydrophobicContact CB-SD 4.47Å; I508-M600 HydrophobicContact CG2-CE 3.8Å; I508-M600 HydrophobicContact CG2-SD 3.84Å; L512-M600 HydrophobicContact CD1-CE 4.38Å; L512-M600 HydrophobicContact CD1-SD 4.02Å; L596-M600 HydrophobicContact CD1-CE 3.97Å; L596-M600 HydrophobicContact CD2-CE 4.24Å; L596-M600 HydrophobicContact CG-CE 3.97Å; L596-M600 HydrophobicContact CG-SD 4.22Å; L596-M600 VanDerWaalsContact O-CG 3.32Å; L596-M600 WeakPolarHBondContact O-CG 3.2Å; L596-M600 PolarHBondContact O-N 3.21Å; M597-M600 PolarHBondContact O-N 3.19Å; M600-R608 WeakPolarHBondContact O-CD 3.41Å; M600-R608 VanDerWaalsContact O-CG 3.28Å; M600-R608 WeakPolarHBondContact O-CG 3.15Å; M600-I609 HydrophobicContact CB-CG2 4.49Å; M600-I609 HydrophobicContact CG-CG2 3.84Å; M600-A614 HydrophobicContact CE-CB 4.25Å
601	L	98.9	Very high	98.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	31.7	-179.5	-62.2	171.4	0	0	0	112.8	W506 L521 L538 L579 M597 R598	W506-L601 HydrophobicContact CD2-CD2 3.68Å; W506-L601 HydrophobicContact CE3-CB 4.39Å; W506-L601 HydrophobicContact CE3-CD2 3.98Å; W506-L601 HydrophobicContact CG-CD2 4.06Å; W506-L601 HydrophobicContact CH2-CD2 4.39Å; W506-L601 HydrophobicContact CZ2-CD2 4.09Å; W506-L601 HydrophobicContact CZ3-CB 4.24Å; W506-L601 HydrophobicContact CZ3-CD2 4.34Å; W506-L601 WeakPolarHBondContact CZ3-O 3.37Å; L521-L601 HydrophobicContact CD2-CD1 3.65Å; L538-L601 HydrophobicContact CD1-CB 4.07Å; L538-L601 HydrophobicContact CD2-CB 3.82Å; L538-L601 HydrophobicContact CD2-CD1 4.2Å; L579-L601 HydrophobicContact CD2-CD1 4.2Å; M597-L601 VanDerWaalsContact O-CB 3.3Å; M597-L601 WeakPolarHBondContact O-CB 3.48Å; M597-L601 VanDerWaalsContact O-CG 3.24Å; M597-L601 WeakPolarHBondContact O-CG 3.36Å; M597-L601 PolarHBondContact O-N 2.83Å; R598-L601 CarbonylContact O-C 3.49Å; R598-L601 PolarHBondContact O-N 2.97Å
602	E	98.9	Very high	98.8	Very high	51 Å²	51	34.6 Å²	34.6	24%	0.238	19%	0.188	C	C	.	.			trans	-67.7	134.4	166.7	-68.1	-63	168.3	0	0	110.6	R598 R608	R598-E602 IonicContact CZ-OE1 3.54Å; R598-E602 IonicContact CZ-OE2 3.01Å; R598-E602 IonicContact NH1-OE1 3.35Å; R598-E602 PolarHBondContact NH1-OE1 3.49Å; R598-E602 IonicContact NH1-OE2 2.67Å; R598-E602 PolarHBondContact NH1-OE2 3.49Å; R598-E602 IonicContact NH2-OE2 3.85Å; R598-E602 PolarHBondContact NH2-OE2 2.93Å; R598-E602 PolarHBondContact O-N 3.33Å; E602-R608 HydrophobicContact CB-CB 4.03Å; E602-R608 HydrophobicContact CB-CG 4.29Å; E602-R608 VanDerWaalsContact O-CZ 3.31Å; E602-R608 PolarHBondContact O-NE 3.07Å; E602-R608 PolarHBondContact O-NH2 3.34Å
603	F	98.8	Very high	98.8	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.022	20%	0.198	C	C	.	.	S	Bend	trans	-62.5	-47.6	179.3	-77.3	-80.7	0	0	0	112.6	P491 M534 L538 G539 I541 P542 M545 P605 R608	P491-F603 HydrophobicContact CB-CD1 4.12Å; P491-F603 HydrophobicContact CG-CD1 3.95Å; M534-F603 HydrophobicContact CB-CE1 3.67Å; M534-F603 HydrophobicContact CB-CZ 3.88Å; M534-F603 HydrophobicContact CG-CE1 4.48Å; M534-F603 HydrophobicContact SD-CE1 4.22Å; L538-F603 HydrophobicContact CB-CE2 3.58Å; L538-F603 HydrophobicContact CB-CZ 3.87Å; L538-F603 HydrophobicContact CD1-CE2 4.41Å; L538-F603 HydrophobicContact CD1-CZ 4.24Å; G539-F603 WeakPolarHBondContact O-CE2 3.39Å; G539-F603 VanDerWaalsContact O-CZ 3.27Å; G539-F603 WeakPolarHBondContact O-CZ 3.44Å; I541-F603 HydrophobicContact CG1-CD1 3.87Å; I541-F603 HydrophobicContact CG1-CE1 3.51Å; I541-F603 HydrophobicContact CG1-CZ 4.07Å; P542-F603 HydrophobicContact CG-CB 3.84Å; M545-F603 VanDerWaalsContact CE-O 3.27Å; M545-F603 WeakPolarHBondContact CE-O 3.33Å; M545-F603 HydrophobicContact SD-CB 4.11Å; F603-P605 VanDerWaalsContact O-CD 3.31Å; F603-P605 WeakPolarHBondContact O-CD 3.15Å; F603-R608 PolarHBondContact O-NH2 3.25Å; F603-R608 VanDerWaalsContact O-NH2 3.11Å
604	D	98.8	Very high	98.7	Very high	28 Å²	28	36.7 Å²	36.7	15%	0.15	20%	0.198	C	C	.	.	S	Bend	trans	-77.6	114.5	179.8	-172.9	-10.6	0	0	0	109.8	H544 M545 A606 Q607 R608	H544-D604 IonicContact CE1-OD2 2.73Å; H544-D604 PolarHBondContact CE1-OD2 3.16Å; H544-D604 IonicContact NE2-OD2 2.72Å; M545-D604 HydrophobicContact SD-CB 4.43Å; D604-A606 PolarHBondContact O-N 3.3Å; D604-A606 VanDerWaalsContact O-N 3.1Å; D604-A606 WeakPolarHBondContact OD1-CB 2.98Å; D604-A606 PolarHBondContact OD1-N 3.24Å; D604-Q607 HydrophobicContact CB-CB 4.26Å; D604-Q607 HydrophobicContact CB-CG 4.12Å; D604-Q607 PolarHBondContact O-N 3.06Å; D604-R608 PolarHBondContact O-N 3.08Å; D604-R608 VanDerWaalsContact O-N 3.1Å
605	P	98.7	Very high	98.7	Very high	34 Å²	34	38 Å²	38	22%	0.221	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.4	178.4	27.3	-36.3	0	0	0	113.3	E492 P502 F603	E492-P605 HydrophobicContact CB-CG 4.14Å; E492-P605 HydrophobicContact CG-CB 4.34Å; E492-P605 HydrophobicContact CG-CG 4Å; P502-P605 HydrophobicContact CB-CB 3.7Å; P502-P605 HydrophobicContact CG-CB 4.16Å; P502-P605 WeakPolarHBondContact CG-O 3.4Å; F603-P605 VanDerWaalsContact O-CD 3.31Å; F603-P605 WeakPolarHBondContact O-CD 3.15Å
606	A	98.5	Very high	98.7	Very high	78 Å²	78	41.9 Å²	41.9	65%	0.645	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-7.4	174.4	0	0	0	0	0	114.1	D604	D604-A606 PolarHBondContact O-N 3.3Å; D604-A606 VanDerWaalsContact O-N 3.1Å; D604-A606 WeakPolarHBondContact OD1-CB 2.98Å; D604-A606 PolarHBondContact OD1-N 3.24Å
607	Q	98.6	Very high	98.7	Very high	131 Å²	131	42.9 Å²	42.9	61%	0.612	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-11	174.8	-59	-61.7	-71.3	0	0	112.7	D604	D604-Q607 HydrophobicContact CB-CB 4.26Å; D604-Q607 HydrophobicContact CB-CG 4.12Å; D604-Q607 PolarHBondContact O-N 3.06Å
608	R	98.8	Very high	98.7	Very high	11 Å²	11	46.3 Å²	46.3	4%	0.042	25%	0.251	C	S	.	.	S	Bend	trans	-64.3	138.1	176.7	-163.8	177.4	-62.8	149.9	8.3	110.9	E492 P502 V505 M600 E602 F603 D604	E492-R608 IonicContact OE1-CZ 3.58Å; E492-R608 IonicContact OE1-NH1 2.69Å; E492-R608 PolarHBondContact OE1-NH1 2.87Å; E492-R608 IonicContact OE1-NH2 2.66Å; E492-R608 IonicContact OE2-CZ 3.58Å; E492-R608 IonicContact OE2-NH1 3.19Å; E492-R608 PolarHBondContact OE2-NH1 3.45Å; E492-R608 IonicContact OE2-NH2 3.41Å; E492-R608 PolarHBondContact OE2-NH2 3.13Å; P502-R608 WeakPolarHBondContact O-CD 3.24Å; P502-R608 PolarHBondContact O-NH1 3.47Å; V505-R608 HydrophobicContact CB-CG 4.38Å; V505-R608 HydrophobicContact CG1-CG 4.05Å; M600-R608 WeakPolarHBondContact O-CD 3.41Å; M600-R608 VanDerWaalsContact O-CG 3.28Å; M600-R608 WeakPolarHBondContact O-CG 3.15Å; E602-R608 HydrophobicContact CB-CB 4.03Å; E602-R608 HydrophobicContact CB-CG 4.29Å; E602-R608 VanDerWaalsContact O-CZ 3.31Å; E602-R608 PolarHBondContact O-NE 3.07Å; E602-R608 PolarHBondContact O-NH2 3.34Å; F603-R608 PolarHBondContact O-NH2 3.25Å; F603-R608 VanDerWaalsContact O-NH2 3.11Å; D604-R608 PolarHBondContact O-N 3.08Å; D604-R608 VanDerWaalsContact O-N 3.1Å
609	I	98.9	Very high	98.7	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.015	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-58.1	136.4	-178	-166.2	172.3	0	0	0	111.8	V505 L596 R599 M600 E613 A614	V505-I609 HydrophobicContact CG1-CG2 4.04Å; V505-I609 WeakPolarHBondContact CG1-O 3.25Å; L596-I609 HydrophobicContact CD1-CD1 4.28Å; R599-I609 HydrophobicContact CB-CB 4.06Å; R599-I609 HydrophobicContact CB-CD1 4.18Å; R599-I609 HydrophobicContact CB-CG2 3.99Å; R599-I609 WeakPolarHBondContact O-CG2 3.26Å; R599-I609 PolarHBondContact O-N 3.39Å; M600-I609 HydrophobicContact CB-CG2 4.49Å; M600-I609 HydrophobicContact CG-CG2 3.84Å; I609-E613 HydrophobicContact CD1-CB 4.03Å; I609-E613 HydrophobicContact CG1-CB 3.59Å; I609-A614 HydrophobicContact CD1-CB 4.17Å; I609-A614 HydrophobicContact CG1-CB 4.48Å
610	T	98.8	Very high	98.7	Very high	72 Å²	72	39.4 Å²	39.4	44%	0.442	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-76.9	156.1	170.6	64.7	0	0	0	0	111	A612 E613 A614	T610-A612 PolarHBondContact O-N 3.21Å; T610-E613 WeakPolarHBondContact CB-OE2 3.46Å; T610-E613 WeakPolarHBondContact CG2-OE2 3.41Å; T610-E613 PolarHBondContact N-OE2 2.77Å; T610-E613 PolarHBondContact O-N 2.86Å; T610-E613 WeakPolarHBondContact OG1-CG 3.25Å; T610-E613 PolarHBondContact OG1-N 2.93Å; T610-E613 PolarHBondContact OG1-OE2 2.89Å; T610-A614 WeakPolarHBondContact O-CB 3.31Å; T610-A614 PolarHBondContact O-N 2.77Å
611	L	98.6	Very high	98.6	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-68.5	-22.1	177.8	-61.6	-177.7	0	0	0	113.4	C416 L419 R420 V505 I508 A614 L615	C416-L611 HydrophobicContact CB-CD2 4.44Å; L419-L611 HydrophobicContact CB-CD1 3.24Å; L419-L611 HydrophobicContact CG-CD1 4.47Å; R420-L611 HydrophobicContact CB-CB 3.91Å; V505-L611 HydrophobicContact CG1-CD2 4.37Å; V505-L611 HydrophobicContact CG2-CD2 3.94Å; V505-L611 HydrophobicContact CG2-CG 3.99Å; I508-L611 HydrophobicContact CD1-CD1 4.16Å; I508-L611 HydrophobicContact CD1-CD2 4.01Å; L611-A614 HydrophobicContact CD2-CB 4.43Å; L611-L615 WeakPolarHBondContact O-CG 3.45Å; L611-L615 PolarHBondContact O-N 3.26Å
612	A	98	Very high	98.4	Very high	49 Å²	49	44.3 Å²	44.3	41%	0.405	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-45.3	170.3	0	0	0	0	0	111.9	T610	T610-A612 PolarHBondContact O-N 3.21Å
613	E	98.6	Very high	98.3	Very high	81 Å²	81	42.2 Å²	42.2	38%	0.379	26%	0.259	S	S	.	.	H	α-helix	trans	-66.8	-38.8	171.8	-69.1	164.5	89	0	0	112.2	R599 I609 T610 L615 L616 H617	R599-E613 IonicContact CZ-OE1 2.84Å; R599-E613 IonicContact NH2-OE1 2.77Å; R599-E613 PolarHBondContact NH2-OE1 2.6Å; I609-E613 HydrophobicContact CD1-CB 4.03Å; I609-E613 HydrophobicContact CG1-CB 3.59Å; T610-E613 WeakPolarHBondContact CB-OE2 3.46Å; T610-E613 WeakPolarHBondContact CG2-OE2 3.41Å; T610-E613 PolarHBondContact N-OE2 2.77Å; T610-E613 PolarHBondContact O-N 2.86Å; T610-E613 WeakPolarHBondContact OG1-CG 3.25Å; T610-E613 PolarHBondContact OG1-N 2.93Å; T610-E613 PolarHBondContact OG1-OE2 2.89Å; E613-L615 VanDerWaalsContact C-N 3.32Å; E613-L615 PolarHBondContact O-N 3.1Å; E613-L616 WeakPolarHBondContact O-CB 3.14Å; E613-L616 PolarHBondContact O-N 3.36Å; E613-H617 PolarHBondContact O-N 3.23Å
614	A	98.7	Very high	98.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-41.4	-178.6	0	0	0	0	0	111.8	L596 M600 I609 T610 L611 L616 H617 F620	L596-A614 HydrophobicContact CD1-CB 4.14Å; M600-A614 HydrophobicContact CE-CB 4.25Å; I609-A614 HydrophobicContact CD1-CB 4.17Å; I609-A614 HydrophobicContact CG1-CB 4.48Å; T610-A614 WeakPolarHBondContact O-CB 3.31Å; T610-A614 PolarHBondContact O-N 2.77Å; L611-A614 HydrophobicContact CD2-CB 4.43Å; A614-L616 PolarHBondContact O-N 2.8Å; A614-L616 VanDerWaalsContact O-N 3.16Å; A614-H617 WeakPolarHBondContact O-CB 3.5Å; A614-H617 PolarHBondContact O-N 2.89Å; A614-F620 WeakPolarHBondContact O-CD2 3.4Å; A614-F620 WeakPolarHBondContact O-CE2 3.17Å
615	L	98.4	Very high	97.9	Very high	29 Å²	29	48.1 Å²	48.1	15%	0.152	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.6	175.8	-71.6	169.2	0	0	0	114	Y413 C416 H417 R420 L611 E613	Y413-L615 HydrophobicContact CD2-CD2 3.56Å; Y413-L615 HydrophobicContact CE2-CD2 3.46Å; Y413-L615 VanDerWaalsContact CE2-CD2 3.46Å; Y413-L615 HydrophobicContact CG-CD2 4.39Å; C416-L615 HydrophobicContact CB-CD2 3.61Å; C416-L615 HydrophobicContact CB-CG 3.89Å; H417-L615 HydrophobicContact CB-CD2 4.31Å; R420-L615 HydrophobicContact CB-CD1 4.46Å; L611-L615 WeakPolarHBondContact O-CG 3.45Å; L611-L615 PolarHBondContact O-N 3.26Å; E613-L615 VanDerWaalsContact C-N 3.32Å; E613-L615 PolarHBondContact O-N 3.1Å
616	L	98.4	Very high	97.5	Very high	153 Å²	153	52.7 Å²	52.7	80%	0.801	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	0.8	174.9	-56.8	176.4	0	0	0	112.8	E613 A614	E613-L616 WeakPolarHBondContact O-CB 3.14Å; E613-L616 PolarHBondContact O-N 3.36Å; A614-L616 PolarHBondContact O-N 2.8Å; A614-L616 VanDerWaalsContact O-N 3.16Å
617	H	98.8	Very high	97.3	Very high	20 Å²	20	50.7 Å²	50.7	9%	0.093	29%	0.294	C	S	.	.	S	Bend	trans	-68.9	140.3	-175.6	-168.5	-96.8	0	0	0	112.5	Q592 D595 L596 E613 A614 F619 F620	Q592-H617 PolarHBondContact O-CE1 3.39Å; Q592-H617 VanDerWaalsContact O-CE1 3.24Å; D595-H617 IonicContact OD2-NE2 3.36Å; D595-H617 PolarHBondContact OD2-NE2 3.36Å; L596-H617 HydrophobicContact CD1-CB 3.99Å; E613-H617 PolarHBondContact O-N 3.23Å; A614-H617 WeakPolarHBondContact O-CB 3.5Å; A614-H617 PolarHBondContact O-N 2.89Å; H617-F619 WeakPolarHBondContact ND1-CB 3.34Å; H617-F619 PolarHBondContact ND1-N 2.84Å; H617-F619 PolarHBondContact O-N 2.74Å; H617-F620 HydrophobicContact CB-CD2 4.5Å; H617-F620 PolarHBondContact O-N 2.7Å
618	P	98.6	Very high	96.8	Very high	72 Å²	72	49.7 Å²	49.7	47%	0.468	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-53.2	-25.5	-179.2	-30.9	37.1	0	0	0	116	Q592 F620 A621	Q592-P618 HydrophobicContact CG-CB 4.4Å; Q592-P618 PolarHBondContact OE1-O 2.83Å; P618-F620 PolarHBondContact O-N 2.94Å; P618-A621 WeakPolarHBondContact O-CB 3.49Å; P618-A621 PolarHBondContact O-N 2.98Å
619	F	98.7	Very high	95.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-54.4	-33.8	173.4	-177.2	-126.3	0	0	0	113.4	L405 R409 A412 Q592 L593 L596 H617 A621	L405-F619 HydrophobicContact CD1-CE2 3.87Å; L405-F619 HydrophobicContact CD1-CZ 3.85Å; L405-F619 HydrophobicContact CD2-CE2 4.46Å; L405-F619 HydrophobicContact CG-CE2 4.32Å; R409-F619 HydrophobicContact CB-CE1 3.93Å; R409-F619 HydrophobicContact CB-CE2 4.26Å; R409-F619 HydrophobicContact CB-CZ 3.6Å; R409-F619 WeakPolarHBondContact CD-O 3.41Å; R409-F619 HydrophobicContact CG-CD1 4.26Å; R409-F619 HydrophobicContact CG-CE1 3.85Å; R409-F619 HydrophobicContact CG-CE2 4.15Å; R409-F619 HydrophobicContact CG-CZ 3.78Å; A412-F619 HydrophobicContact CB-CE1 4.36Å; Q592-F619 HydrophobicContact CB-CB 3.93Å; Q592-F619 HydrophobicContact CB-CD2 4.07Å; Q592-F619 HydrophobicContact CB-CG 4.46Å; L593-F619 HydrophobicContact CB-CD2 4.07Å; L593-F619 HydrophobicContact CB-CE1 4.48Å; L593-F619 HydrophobicContact CB-CE2 3.71Å; L593-F619 HydrophobicContact CB-CZ 3.93Å; L593-F619 HydrophobicContact CD1-CD1 4.45Å; L593-F619 HydrophobicContact CD1-CE1 3.79Å; L593-F619 HydrophobicContact CD1-CE2 4.47Å; L593-F619 HydrophobicContact CD1-CZ 3.81Å; L593-F619 HydrophobicContact CG-CZ 4.3Å; L596-F619 HydrophobicContact CD2-CB 4.41Å; L596-F619 HydrophobicContact CD2-CD1 3.81Å; H617-F619 WeakPolarHBondContact ND1-CB 3.34Å; H617-F619 PolarHBondContact ND1-N 2.84Å; H617-F619 PolarHBondContact O-N 2.74Å; F619-A621 VanDerWaalsContact C-N 3.32Å
620	F	98.5	Very high	94.5	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.031	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-84.8	-2.6	178.6	-61.2	-46.9	0	0	0	113.6	R409 A412 Y413 L596 A614 H617 P618 G622 L623 R628	R409-F620 HydrophobicContact CG-CD1 4.19Å; R409-F620 WeakPolarHBondContact O-CE1 3.36Å; A412-F620 HydrophobicContact CB-CE1 3.84Å; A412-F620 HydrophobicContact CB-CZ 3.97Å; Y413-F620 HydrophobicContact CD2-CB 4.1Å; Y413-F620 AromaticContact CD2-CD1 3.81Å; Y413-F620 HydrophobicContact CD2-CD1 3.81Å; Y413-F620 AromaticContact CD2-CD2 3.89Å; Y413-F620 HydrophobicContact CD2-CD2 3.89Å; Y413-F620 HydrophobicContact CD2-CE1 4.17Å; Y413-F620 HydrophobicContact CD2-CE2 4.22Å; Y413-F620 AromaticContact CD2-CG 3.66Å; Y413-F620 HydrophobicContact CD2-CG 3.66Å; Y413-F620 HydrophobicContact CD2-CZ 4.36Å; Y413-F620 HydrophobicContact CE2-CB 4.4Å; Y413-F620 HydrophobicContact CE2-CD2 4.48Å; Y413-F620 HydrophobicContact CE2-CG 4.35Å; Y413-F620 HydrophobicContact CG-CD1 4.26Å; Y413-F620 HydrophobicContact CG-CE1 4.44Å; L596-F620 HydrophobicContact CD2-CE2 3.98Å; L596-F620 HydrophobicContact CD2-CZ 3.83Å; A614-F620 WeakPolarHBondContact O-CD2 3.4Å; A614-F620 WeakPolarHBondContact O-CE2 3.17Å; H617-F620 HydrophobicContact CB-CD2 4.5Å; H617-F620 PolarHBondContact O-N 2.7Å; P618-F620 PolarHBondContact O-N 2.94Å; F620-G622 PolarHBondContact O-N 2.96Å; F620-L623 HydrophobicContact CB-CD1 3.77Å; F620-L623 HydrophobicContact CB-CG 4.41Å; F620-L623 HydrophobicContact CD1-CD1 3.86Å; F620-L623 HydrophobicContact CD1-CG 4.34Å; F620-L623 HydrophobicContact CG-CD1 4.14Å; F620-L623 PolarHBondContact O-N 3.42Å; F620-R628 PolarHBondContact O-NH2 2.79Å
621	A	97.1	Very high	92.1	Very high	69 Å²	69	57.8 Å²	57.8	57%	0.57	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-65	-27.6	170.4	0	0	0	0	0	112.1	P618 F619 L623 R628	P618-A621 WeakPolarHBondContact O-CB 3.49Å; P618-A621 PolarHBondContact O-N 2.98Å; F619-A621 VanDerWaalsContact C-N 3.32Å; A621-L623 VanDerWaalsContact C-N 3.32Å; A621-L623 PolarHBondContact O-N 2.91Å; A621-R628 PolarHBondContact O-NH2 2.77Å
622	G	95.3	Very high	89.5	Confident	33 Å²	33	61.2 Å²	61.2	34%	0.34	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-86.6	17.8	175.5	0	0	0	0	0	115.3	R409 F620	R409-G622 WeakPolarHBondContact CD-O 3.03Å; R409-G622 PolarHBondContact NH1-O 3.37Å; F620-G622 PolarHBondContact O-N 2.96Å
623	L	97.1	Very high	86.5	Confident	8 Å²	8	63.7 Å²	63.7	4%	0.042	36%	0.359	C	S	.	.	S	Bend	trans	-85.3	143.1	167.9	-69.5	167.3	0	0	0	111	R409 H410 Y413 F620 A621 E627 R628	R409-L623 HydrophobicContact CB-CD2 4.38Å; R409-L623 HydrophobicContact CG-CD2 3.69Å; R409-L623 HydrophobicContact CG-CG 4.05Å; H410-L623 HydrophobicContact CB-CD2 4.25Å; Y413-L623 HydrophobicContact CD1-CD1 3.66Å; Y413-L623 HydrophobicContact CD2-CD1 3.47Å; Y413-L623 VanDerWaalsContact CD2-CD1 3.47Å; Y413-L623 HydrophobicContact CE1-CD1 4.09Å; Y413-L623 HydrophobicContact CE2-CD1 3.92Å; Y413-L623 HydrophobicContact CG-CD1 3.33Å; F620-L623 HydrophobicContact CB-CD1 3.77Å; F620-L623 HydrophobicContact CB-CG 4.41Å; F620-L623 HydrophobicContact CD1-CD1 3.86Å; F620-L623 HydrophobicContact CD1-CG 4.34Å; F620-L623 HydrophobicContact CG-CD1 4.14Å; F620-L623 PolarHBondContact O-N 3.42Å; A621-L623 VanDerWaalsContact C-N 3.32Å; A621-L623 PolarHBondContact O-N 2.91Å; L623-E627 VanDerWaalsContact CA-OE2 3.28Å; L623-E627 WeakPolarHBondContact CA-OE2 3.27Å; L623-E627 HydrophobicContact CB-CB 4.33Å; L623-E627 HydrophobicContact CD2-CB 4.06Å; L623-E627 WeakPolarHBondContact CD2-OE2 3.5Å; L623-R628 HydrophobicContact CB-CG 3.75Å; L623-R628 HydrophobicContact CD1-CG 3.99Å; L623-R628 PolarHBondContact O-NE 3.14Å; L623-R628 PolarHBondContact O-NH2 2.91Å
624	T	95.9	Very high	83.5	Confident	60 Å²	60	70.8 Å²	70.8	37%	0.368	38%	0.382	S	S	.	.			trans	-70.3	163.2	173.7	89.4	0	0	0	0	112.1	E626 E627 R628	T624-E626 WeakPolarHBondContact CB-OE2 3.5Å; T624-E626 PolarHBondContact O-N 3.32Å; T624-E626 PolarHBondContact OG1-N 2.83Å; T624-E626 PolarHBondContact OG1-OE2 3.11Å; T624-E627 HydrophobicContact CG2-CG 4.41Å; T624-E627 PolarHBondContact N-OE2 3.45Å; T624-E627 PolarHBondContact O-N 3.13Å; T624-E627 PolarHBondContact OG1-N 3.02Å; T624-R628 WeakPolarHBondContact O-CG 3.46Å; T624-R628 PolarHBondContact O-N 3.04Å; T624-R628 VanDerWaalsContact O-N 3.14Å
625	P	92.9	Very high	80.4	Confident	96 Å²	96	76.8 Å²	76.8	62%	0.623	41%	0.414	S	S	*	.	H	α-helix	trans	-58.7	-33.3	173.4	-24.2	35.5	0	0	0	113.5	S629	P625-S629 VanDerWaalsContact O-CB 3.27Å; P625-S629 WeakPolarHBondContact O-CB 3.4Å; P625-S629 PolarHBondContact O-N 3.27Å; P625-S629 PolarHBondContact O-OG 2.8Å
626	E	91.4	Very high	77.1	Confident	131 Å²	131	81.8 Å²	81.8	61%	0.612	45%	0.448	S	S	*	.	H	α-helix	trans	-69.4	-46.4	179.2	-56.8	68.2	-142.1	0	0	110.6	T624 R628 S629	T624-E626 WeakPolarHBondContact CB-OE2 3.5Å; T624-E626 PolarHBondContact O-N 3.32Å; T624-E626 PolarHBondContact OG1-N 2.83Å; T624-E626 PolarHBondContact OG1-OE2 3.11Å; E626-R628 VanDerWaalsContact C-N 3.3Å; E626-R628 PolarHBondContact O-N 2.95Å; E626-S629 PolarHBondContact O-N 3.15Å; E626-S629 PolarHBondContact O-OG 3.2Å; E626-S629 VanDerWaalsContact O-OG 3.07Å
627	E	92.6	Very high	73.9	Confident	35 Å²	35	79 Å²	79	16%	0.164	44%	0.441	C	S	.	.	H	α-helix	trans	-62.8	-33.5	176	-66.1	178.1	138.1	0	0	112.8	H410 L623 T624	H410-E627 HydrophobicContact CB-CG 4.37Å; H410-E627 WeakPolarHBondContact CB-OE1 3.34Å; H410-E627 IonicContact CG-OE1 3.71Å; L623-E627 VanDerWaalsContact CA-OE2 3.28Å; L623-E627 WeakPolarHBondContact CA-OE2 3.27Å; L623-E627 HydrophobicContact CB-CB 4.33Å; L623-E627 HydrophobicContact CD2-CB 4.06Å; L623-E627 WeakPolarHBondContact CD2-OE2 3.5Å; T624-E627 HydrophobicContact CG2-CG 4.41Å; T624-E627 PolarHBondContact N-OE2 3.45Å; T624-E627 PolarHBondContact O-N 3.13Å; T624-E627 PolarHBondContact OG1-N 3.02Å
628	R	89.6	Confident	70.8	Confident	110 Å²	110	92.8 Å²	92.8	42%	0.415	49%	0.492	S	S	.	.	H	α-helix	trans	-81.1	-29.3	178.6	-68.1	-172.1	-143.6	-159.6	4.5	114.7	Y413 F620 A621 L623 T624 E626 F630	Y413-R628 HydrophobicContact CE1-CB 4.47Å; Y413-R628 HydrophobicContact CE1-CG 4.38Å; F620-R628 PolarHBondContact O-NH2 2.79Å; A621-R628 PolarHBondContact O-NH2 2.77Å; L623-R628 HydrophobicContact CB-CG 3.75Å; L623-R628 HydrophobicContact CD1-CG 3.99Å; L623-R628 PolarHBondContact O-NE 3.14Å; L623-R628 PolarHBondContact O-NH2 2.91Å; T624-R628 WeakPolarHBondContact O-CG 3.46Å; T624-R628 PolarHBondContact O-N 3.04Å; T624-R628 VanDerWaalsContact O-N 3.14Å; E626-R628 VanDerWaalsContact C-N 3.3Å; E626-R628 PolarHBondContact O-N 2.95Å; R628-F630 PolarHBondContact O-N 2.72Å
629	S	76.8	Confident	69.5	Low	51 Å²	51	93.8 Å²	93.8	36%	0.357	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.9	-169.9	48.5	0	0	0	0	113.7	P625 E626 H631	P625-S629 VanDerWaalsContact O-CB 3.27Å; P625-S629 WeakPolarHBondContact O-CB 3.4Å; P625-S629 PolarHBondContact O-N 3.27Å; P625-S629 PolarHBondContact O-OG 2.8Å; E626-S629 PolarHBondContact O-N 3.15Å; E626-S629 PolarHBondContact O-OG 3.2Å; E626-S629 VanDerWaalsContact O-OG 3.07Å; S629-H631 PolarHBondContact O-N 3.41Å; S629-H631 PolarHBondContact OG-CD2 3.13Å; S629-H631 VanDerWaalsContact OG-CD2 3.23Å
630	F	71.8	Confident	67.9	Low	44 Å²	44	98.7 Å²	98.7	19%	0.193	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	36.3	-175.5	-61.4	-63.4	0	0	0	112.3	L366 Y413 Q414 H417 R628 T632	L366-F630 HydrophobicContact CD1-CD1 4.15Å; L366-F630 HydrophobicContact CD1-CE1 3.96Å; Y413-F630 AromaticContact CD1-CE1 3.88Å; Y413-F630 HydrophobicContact CD1-CE1 3.88Å; Y413-F630 HydrophobicContact CD1-CE2 4.32Å; Y413-F630 AromaticContact CD1-CZ 3.46Å; Y413-F630 HydrophobicContact CD1-CZ 3.46Å; Y413-F630 VanDerWaalsContact CD1-CZ 3.46Å; Y413-F630 AromaticContact CE1-CE1 3.95Å; Y413-F630 HydrophobicContact CE1-CE1 3.95Å; Y413-F630 AromaticContact CE1-CE2 3.6Å; Y413-F630 HydrophobicContact CE1-CE2 3.6Å; Y413-F630 AromaticContact CE1-CZ 3.18Å; Y413-F630 HydrophobicContact CE1-CZ 3.18Å; Q414-F630 HydrophobicContact CG-CE1 3.93Å; H417-F630 HydrophobicContact CB-CE1 4.28Å; H417-F630 HydrophobicContact CB-CE2 4.06Å; H417-F630 HydrophobicContact CB-CZ 3.5Å; H417-F630 AromaticContact CD2-CE2 3.65Å; H417-F630 AromaticContact CE1-CD2 3.81Å; H417-F630 AromaticContact CE1-CE2 3.65Å; H417-F630 AromaticContact CG-CE2 3.45Å; H417-F630 VanDerWaalsContact CG-CE2 3.45Å; H417-F630 AromaticContact CG-CZ 3.39Å; H417-F630 AromaticContact ND1-CD2 3.9Å; H417-F630 AromaticContact ND1-CE1 4Å; H417-F630 AromaticContact ND1-CE2 3.45Å; H417-F630 WeakPolarHBondContact ND1-CE2 3.44Å; H417-F630 AromaticContact ND1-CZ 3.5Å; H417-F630 AromaticContact NE2-CE2 3.81Å; R628-F630 PolarHBondContact O-N 2.72Å; F630-T632 VanDerWaalsContact C-N 3.34Å; F630-T632 PolarHBondContact O-N 3.45Å
631	H	48.4	Very low	66.2	Low	162 Å²	162	103.8 Å²	103.8	75%	0.75	55%	0.547	S	S	*	.			trans	-66.9	96.3	-178.6	-87.2	-42.9	0	0	0	109.2	S629 S633	S629-H631 PolarHBondContact O-N 3.41Å; S629-H631 PolarHBondContact OG-CD2 3.13Å; S629-H631 VanDerWaalsContact OG-CD2 3.23Å; H631-S633 PolarHBondContact O-N 2.85Å
632	T	43.4	Very low	64.4	Low	76 Å²	76	105.9 Å²	105.9	47%	0.466	55%	0.545	S	S	.	.			trans	-52.3	108.4	165.9	51.7	0	0	0	0	107.3	F630 R634	F630-T632 VanDerWaalsContact C-N 3.34Å; F630-T632 PolarHBondContact O-N 3.45Å; T632-R634 PolarHBondContact O-N 3.42Å
633	S	36.6	Very low	62.5	Low	101 Å²	101	110.4 Å²	110.4	71%	0.706	56%	0.558	S	S	*	*			trans	-58.6	103.6	171.7	47.2	0	0	0	0	107.2	H631 N635	H631-S633 PolarHBondContact O-N 2.85Å; S633-N635 PolarHBondContact O-N 3.12Å
634	R	34.4	Very low	60.2	Low	230 Å²	230	117.3 Å²	117.3	87%	0.868	59%	0.593	S	S	*	*			trans	-52.7	127.6	168.4	-78.6	-178.2	168.4	177.7	-2.3	106.7	T632 P636	T632-R634 PolarHBondContact O-N 3.42Å; R634-P636 WeakPolarHBondContact O-CD 3.38Å; R634-P636 VanDerWaalsContact O-N 3.12Å
635	N	33.9	Very low	57.6	Low	125 Å²	125	121.4 Å²	121.4	67%	0.668	61%	0.609	S	S	*	*			trans	-44	121.9	176.3	-92.4	-8.7	0	0	0	109.7	S633 S637	S633-N635 PolarHBondContact O-N 3.12Å; N635-S637 PolarHBondContact O-N 3.29Å
636	P	29.2	Very low	54.9	Low	135 Å²	135	123.3 Å²	123.3	88%	0.877	61%	0.608	S	S	*	*	S	Bend	trans	-60.4	-21.3	172.5	-24.5	35.2	0	0	0	112.2	R634 R638	R634-P636 WeakPolarHBondContact O-CD 3.38Å; R634-P636 VanDerWaalsContact O-N 3.12Å; P636-R638 PolarHBondContact O-N 3.14Å
637	S	31.5	Very low	51.9	Low	94 Å²	94	122.7 Å²	122.7	66%	0.657	61%	0.607	S	S	*	*			trans	-80.6	95.1	168.3	39.4	0	0	0	0	111.8	N635	N635-S637 PolarHBondContact O-N 3.29Å
638	R	34.4	Very low	48.2	Very low	309 Å²	309	130.6 Å²	130.6	100%	1.166	65%	0.648	S	S	*	*			trans	-141	0	165	-156.6	-178.1	-160.3	-125.9	2.9	111.1	P636	P636-R638 PolarHBondContact O-N 3.14Å

Retrieved 638 of 638 residues in 2191.6 ms (Link to these results)

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