A0A096MJS9_RAT Loading...

Establishment of sister chromatid cohesion N-acetyltransferase 2

AlphaFold DB , UniProt , Accession A0A096MJS9, Species RAT (Rattus norvegicus, Rat), Gene Esco2, Length 595 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.7	Very low	49.3	Very low	230 Å²	230	182.2 Å²	182.2	100%	1.133	90%	0.902	S	S	*	*				0	135.5	0	-164.5	169.1	-176.1	0	0	107.7
2	M	48.5	Very low	49.5	Very low	182 Å²	182	182.7 Å²	182.7	90%	0.897	90%	0.895	S	S	*	*			trans	47.8	103.7	178.4	-64.1	-174.3	179.8	0	0	118.3
3	M	41.2	Very low	48.6	Very low	193 Å²	193	185.3 Å²	185.3	95%	0.951	89%	0.889	S	S	*	*			trans	-100.3	148.4	146.3	-76.8	-169.4	175	0	0	109
4	A	52.4	Low	48.6	Very low	103 Å²	103	184.2 Å²	184.2	85%	0.851	88%	0.882	S	S	*	*			trans	-143	148.8	168.4	0	0	0	0	0	109.8
5	T	51.9	Low	48	Very low	129 Å²	129	179.3 Å²	179.3	79%	0.791	87%	0.869	S	S	*	*			trans	-124.2	157.2	-156.7	45.8	0	0	0	0	114.8
6	F	46.3	Very low	47.4	Very low	213 Å²	213	178.1 Å²	178.1	93%	0.934	87%	0.866	S	S	*	*			trans	-64.8	147.3	172.5	-76.4	-100.3	0	0	0	112
7	T	63.1	Low	47	Very low	135 Å²	135	180.4 Å²	180.4	83%	0.828	87%	0.871	S	S	*	*			trans	-124	128.2	174.4	50.5	0	0	0	0	112.2
8	P	44.8	Very low	46.4	Very low	121 Å²	121	174.6 Å²	174.6	79%	0.786	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-94.9	149.4	173.9	35	-32.5	0	0	0	112.6
9	R	56	Low	46.2	Very low	256 Å²	256	172.8 Å²	172.8	97%	0.966	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-73.7	136.3	178	-103.1	179.9	170.5	-179.9	-3.7	112.3
10	K	52.3	Low	45.9	Very low	211 Å²	211	170.9 Å²	170.9	92%	0.917	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-72.1	148.6	-177	-69.5	-177.4	176.9	179.2	0	113.4
11	R	41.3	Very low	45.7	Very low	231 Å²	231	169 Å²	169	87%	0.872	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-100.1	136.6	168.7	-162.2	-179.3	-162.4	169.1	4.9	108
12	K	52	Low	45.5	Very low	188 Å²	188	165.2 Å²	165.2	82%	0.817	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-103.6	132.5	167.9	-100.1	-168.7	173.3	-170.6	0	110.2
13	R	38	Very low	45.1	Very low	217 Å²	217	160.9 Å²	160.9	82%	0.819	81%	0.811	S	S	*	*			trans	-121.9	149.4	152.9	-83.6	-178.5	166.8	175.2	-5.7	105.9
14	H	48.2	Very low	45.1	Very low	170 Å²	170	158.7 Å²	158.7	79%	0.787	80%	0.802	S	S	*	*			trans	-126.9	162.5	156.3	-94.4	-95.3	0	0	0	108.1
15	T	39	Very low	44.6	Very low	111 Å²	111	160.4 Å²	160.4	68%	0.681	80%	0.796	S	S	*	*			trans	-140.7	134.1	-153.1	-53.1	0	0	0	0	109.7
16	L	38.7	Very low	44	Very low	159 Å²	159	159.8 Å²	159.8	83%	0.832	79%	0.792	S	S	*	*			trans	27.6	125.2	155.3	-54.1	170.4	0	0	0	119.2
17	K	40.5	Very low	43.6	Very low	217 Å²	217	156.1 Å²	156.1	94%	0.943	78%	0.783	S	S	*	*				-155	177.7	103.4	-106.2	-179	178.6	-165	0	110.2
18	A	37.1	Very low	42.8	Very low	77 Å²	77	157.7 Å²	157.7	64%	0.636	78%	0.784	S	S	*	*			trans	-132.1	-165.1	-157.2	0	0	0	0	0	112.6
19	D	41.9	Very low	42.5	Very low	141 Å²	141	156.7 Å²	156.7	75%	0.754	78%	0.78	S	S	*	*			trans	93.5	113	160.9	-44	-32.9	0	0	0	116.9
20	N	40.4	Very low	41.7	Very low	134 Å²	134	149.6 Å²	149.6	72%	0.717	77%	0.77	S	S	*	*			trans	60.1	147.3	138.7	-64.4	42.9	0	0	0	120.3
21	D	41.5	Very low	41.2	Very low	132 Å²	132	145.5 Å²	145.5	71%	0.706	77%	0.768	S	S	*	*			cis	-155.4	174.5	-5.6	-105.3	-25.5	0	0	0	111
22	D	41.3	Very low	41.2	Very low	149 Å²	149	143.5 Å²	143.5	80%	0.797	77%	0.765	S	S	*	*			trans	60.2	113	158.5	-88.7	-38.5	0	0	0	123.6
23	S	39.4	Very low	40.7	Very low	91 Å²	91	142.7 Å²	142.7	64%	0.636	77%	0.769	S	S	*	*				53.5	115.9	115.9	-154.9	0	0	0	0	121.5
24	L	41	Very low	40.5	Very low	147 Å²	147	142.1 Å²	142.1	77%	0.77	77%	0.767	S	S	*	*				-176.8	140.3	98.5	-93.3	171.9	0	0	0	114.1
25	L	41.7	Very low	39.9	Very low	139 Å²	139	143.3 Å²	143.3	73%	0.728	77%	0.77	S	S	*	*			trans	26.6	127.1	150.6	-65.6	173	0	0	0	123.4
26	T	39.9	Very low	39.8	Very low	116 Å²	116	142.7 Å²	142.7	71%	0.712	78%	0.776	S	S	*	*			trans	78.5	146.5	130.2	57.9	0	0	0	0	120.1
27	D	37.6	Very low	39.6	Very low	137 Å²	137	143.2 Å²	143.2	73%	0.733	77%	0.774	S	S	*	*			cis	-151.5	173.4	-6.3	-134.9	-41	0	0	0	111.1
28	I	46.7	Very low	39.3	Very low	167 Å²	167	139.4 Å²	139.4	86%	0.856	76%	0.764	S	S	*	*			trans	154.4	124.4	148.8	-83.6	158.1	0	0	0	110
29	S	39.2	Very low	39.4	Very low	101 Å²	101	142.7 Å²	142.7	71%	0.706	77%	0.77	S	S	*	*			trans	-105.9	135.2	-170.8	-168.4	0	0	0	0	114.7
30	S	38.2	Very low	39.2	Very low	106 Å²	106	145.9 Å²	145.9	74%	0.741	77%	0.773	S	S	*	*			trans	26.7	119.5	144	-54.3	0	0	0	0	120.5
31	S	42.3	Very low	39	Very low	125 Å²	125	145.3 Å²	145.3	87%	0.874	78%	0.78	S	S	*	*			trans	-126.9	150.9	136.7	62.7	0	0	0	0	110.1
32	K	40.9	Very low	38.8	Very low	189 Å²	189	144.4 Å²	144.4	82%	0.822	78%	0.784	S	S	*	*			trans	-107.7	148.3	-166.9	-62.8	170.5	-179	169.4	0	111.2
33	L	40.9	Very low	38.9	Very low	171 Å²	171	143 Å²	143	90%	0.895	78%	0.783	S	S	*	*				-169	158.4	112.5	-100.2	163.6	0	0	0	112
34	R	33.8	Very low	38.7	Very low	205 Å²	205	146.6 Å²	146.6	77%	0.774	80%	0.795	S	S	*	*			trans	-149.7	176.5	-177.2	-101.2	-164.9	-178.1	-165.7	3.8	109.4
35	F	35.8	Very low	38.7	Very low	195 Å²	195	149.5 Å²	149.5	86%	0.855	80%	0.801	S	S	*	*			trans	81.7	151.9	169.1	-51.8	-75.5	0	0	0	115.3
36	A	38.1	Very low	38.5	Very low	98 Å²	98	152.1 Å²	152.1	81%	0.81	81%	0.807	S	S	*	*			cis	-135	151.7	8.2	0	0	0	0	0	113.3
37	E	33.3	Very low	38.5	Very low	170 Å²	170	156 Å²	156	79%	0.794	82%	0.816	S	S	*	*			trans	-149.5	154.7	160.2	-158	178.2	-125.6	0	0	109.1
38	N	35.4	Very low	38.2	Very low	137 Å²	137	156.6 Å²	156.6	73%	0.733	82%	0.82	S	S	*	*			trans	73.7	117.9	173.8	-54.1	-60.9	0	0	0	117.9
39	L	39.1	Very low	37.5	Very low	146 Å²	146	153.7 Å²	153.7	76%	0.764	81%	0.813	S	S	*	*			trans	-138	134.6	162.6	-89.9	178.2	0	0	0	110.8
40	Y	37.3	Very low	37.4	Very low	209 Å²	209	158.7 Å²	158.7	82%	0.82	83%	0.825	S	S	*	*			trans	65.5	125.2	166.3	-58.7	-62.9	0	0	0	121.3
41	S	35.5	Very low	37.2	Very low	122 Å²	122	159 Å²	159	85%	0.853	83%	0.827	S	S	*	*			trans	-149.4	114	140.6	-81.7	0	0	0	0	111.1
42	S	37	Very low	37	Very low	112 Å²	112	158.6 Å²	158.6	78%	0.783	83%	0.825	S	S	*	*			trans	50.6	120.6	158.6	-147.6	0	0	0	0	121.6
43	P	43.4	Very low	36.9	Very low	121 Å²	121	155 Å²	155	79%	0.786	82%	0.818	S	S	*	*			trans	-87.8	132.5	167.5	34.6	-30.8	0	0	0	112.4
44	N	36.3	Very low	36.8	Very low	165 Å²	165	154.8 Å²	154.8	88%	0.882	81%	0.813	S	S	*	*			trans	-112	102.3	175.1	-126	-33.8	0	0	0	110
45	K	39.8	Very low	37	Very low	209 Å²	209	151.5 Å²	151.5	91%	0.909	80%	0.804	S	S	*	*			trans	-92.8	109.4	176.1	-93.4	-172.5	171	-176.5	0	110.9
46	K	38.3	Very low	37	Very low	193 Å²	193	148.9 Å²	148.9	84%	0.839	80%	0.795	S	S	*	*			trans	-80.4	130.6	158.8	-68	179.7	177	-179.8	0	109.1
47	H	39	Very low	37	Very low	197 Å²	197	152.3 Å²	152.3	91%	0.912	79%	0.794	S	S	*	*			trans	-174.7	127.5	143.5	-103	-70.4	0	0	0	108.9
48	N	32.3	Very low	37.2	Very low	151 Å²	151	153 Å²	153	81%	0.807	79%	0.794	S	S	*	*			trans	-157.4	160.4	162.2	-162	10.4	0	0	0	109.8
49	C	30.7	Very low	37.2	Very low	106 Å²	106	152.5 Å²	152.5	72%	0.716	80%	0.798	S	S	*	*			trans	59	94.5	168.5	-60.7	0	0	0	0	118.2
50	Q	39	Very low	36.8	Very low	205 Å²	205	151 Å²	151	96%	0.958	80%	0.799	S	S	*	*				-141.8	162.3	122.5	-108.9	177.9	5.9	0	0	109.1
51	S	33.2	Very low	36.4	Very low	112 Å²	112	146.1 Å²	146.1	78%	0.783	80%	0.795	S	S	*	*			trans	-127.7	133.4	-151.7	55.7	0	0	0	0	115.1
52	S	37.4	Very low	36.5	Very low	118 Å²	118	149.1 Å²	149.1	83%	0.825	80%	0.795	S	S	*	*			trans	174.6	160.7	151.6	46.3	0	0	0	0	111.2
53	V	38.5	Very low	36.2	Very low	113 Å²	113	151 Å²	151	69%	0.685	79%	0.791	S	S	*	*			cis	-161.2	136.2	-29.3	133.4	0	0	0	0	106.6
54	Q	39.3	Very low	35.7	Very low	166 Å²	166	156.8 Å²	156.8	78%	0.776	80%	0.798	S	S	*	*			trans	62.4	164.3	166.9	-74	168.1	40.9	0	0	116.6
55	K	37.9	Very low	35.5	Very low	136 Å²	136	155.3 Å²	155.3	59%	0.591	79%	0.785	S	S	*	*			cis	-156.8	151.4	2.6	-132.8	169.9	170.9	-75.1	0	109.5
56	E	36.6	Very low	35.2	Very low	141 Å²	141	154.7 Å²	154.7	66%	0.659	78%	0.783	S	S	*	*			trans	52.4	147.7	152	-83.1	128.9	-143.8	0	0	121.5
57	E	37	Very low	35	Very low	170 Å²	170	150.7 Å²	150.7	79%	0.794	78%	0.779	S	S	*	*			cis	-151	-149.8	-9.9	-139	-178.9	-165.1	0	0	113.8
58	K	38.7	Very low	34.8	Very low	185 Å²	185	146.6 Å²	146.6	80%	0.804	77%	0.773	S	S	*	*			trans	-95	161.3	-153.2	-79.4	170.1	-178.6	162.6	0	118
59	P	35.2	Very low	34.7	Very low	126 Å²	126	144.7 Å²	144.7	82%	0.818	77%	0.771	S	S	*	*			trans	-99.5	168.2	176.9	40	-36.1	0	0	0	114.6
60	C	30.7	Very low	35	Very low	115 Å²	115	145.3 Å²	145.3	78%	0.777	77%	0.774	S	S	*	*			trans	-151.9	159.8	158.6	-159.4	0	0	0	0	111.8
61	S	28.6	Very low	34.8	Very low	105 Å²	105	144.2 Å²	144.2	73%	0.734	77%	0.774	S	S	*	*			trans	-128.4	133.8	-178.3	54.4	0	0	0	0	111.4
62	H	37.6	Very low	34.7	Very low	185 Å²	185	148.1 Å²	148.1	86%	0.856	78%	0.777	S	S	*	*			trans	-136.1	129	171.3	-80.5	-60.5	0	0	0	114
63	Q	30.3	Very low	34.4	Very low	151 Å²	151	148.9 Å²	148.9	71%	0.706	78%	0.777	S	S	*	*			trans	-81.5	146.7	174.3	171.7	-169.6	12.6	0	0	110.8	H65	Q63-H65 PolarHBondContact NE2-CD2 2.96Å; Q63-H65 PolarHBondContact NE2-NE2 3.16Å
64	R	33.8	Very low	34	Very low	243 Å²	243	148.9 Å²	148.9	92%	0.917	78%	0.777	S	S	*	*			trans	-150.1	145.7	154	-107.2	166.7	-161	-169	4.1	110.9
65	H	31.8	Very low	33.9	Very low	135 Å²	135	148.8 Å²	148.8	63%	0.625	78%	0.777	S	S	*	*			trans	-106.3	-160	-178.5	-79.7	-100.8	0	0	0	110.6	Q63	Q63-H65 PolarHBondContact NE2-CD2 2.96Å; Q63-H65 PolarHBondContact NE2-NE2 3.16Å
66	F	34.5	Very low	33.8	Very low	196 Å²	196	148 Å²	148	86%	0.86	78%	0.779	S	S	*	*			trans	83.8	135.5	176.6	-47	-66.4	0	0	0	114.2
67	S	33.3	Very low	33.5	Very low	108 Å²	108	148.1 Å²	148.1	76%	0.755	78%	0.784	S	S	*	*			cis	-157.9	171	-4	36.2	0	0	0	0	113.4
68	S	33.7	Very low	33.4	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	78%	0.782	S	S	*	*			trans	-56.1	169.6	172.8	43.4	0	0	0	0	114.2
69	S	30.9	Very low	33.2	Very low	110 Å²	110	145.8 Å²	145.8	77%	0.769	78%	0.782	S	S	*	*			cis	-158.5	173	31.3	64.4	0	0	0	0	114.4
70	P	36.7	Very low	32.8	Very low	120 Å²	120	144.2 Å²	144.2	78%	0.779	77%	0.774	S	S	*	*			trans	-113.1	161.9	178.9	40.5	-31.5	0	0	0	115.3
71	L	35.2	Very low	32.9	Very low	182 Å²	182	149.2 Å²	149.2	95%	0.953	78%	0.783	S	S	*	*			trans	-139.5	167.6	170.1	-97.2	168.8	0	0	0	112.6
72	K	30.5	Very low	33	Very low	194 Å²	194	148 Å²	148	84%	0.843	78%	0.779	S	S	*	*			trans	-129.7	145.7	-169.7	-61.5	178.5	-179.6	177	0	114.2
73	T	32.7	Very low	32.9	Very low	134 Å²	134	146.6 Å²	146.6	82%	0.822	78%	0.778	S	S	*	*			trans	-162.1	139.1	155.3	11.9	0	0	0	0	106
74	T	28.3	Very low	33.2	Very low	113 Å²	113	147.6 Å²	147.6	69%	0.693	78%	0.782	S	S	*	*			cis	61.5	129.3	29.1	7	0	0	0	0	113.8
75	E	37	Very low	33.3	Very low	164 Å²	164	141.9 Å²	141.9	77%	0.766	78%	0.78	S	S	*	*			cis	-112.4	-140	6.3	-53.4	-161	114.5	0	0	111.6
76	N	36.4	Very low	33.6	Very low	120 Å²	120	140.4 Å²	140.4	64%	0.642	78%	0.784	S	S	*	*			cis	-154	-171.5	-1.5	-142.6	-49.2	0	0	0	112.2
77	N	31.1	Very low	33.7	Very low	143 Å²	143	138.4 Å²	138.4	77%	0.765	78%	0.782	S	S	*	*			trans	-86.3	-176.5	-179.2	-55.1	-82.8	0	0	0	111.6
78	M	34.1	Very low	33.8	Very low	152 Å²	152	143.3 Å²	143.3	75%	0.749	79%	0.79	S	S	*	*			cis	-160.8	151.2	15.7	-157.2	-158.9	168.4	0	0	108.3
79	L	34.1	Very low	34.2	Very low	153 Å²	153	147.6 Å²	147.6	80%	0.801	80%	0.795	S	S	*	*				173.1	159.2	98	-100.9	160.7	0	0	0	110.3
80	S	26.9	Very low	34.6	Very low	94 Å²	94	148 Å²	148	66%	0.657	79%	0.794	S	S	*	*			trans	-122.6	152.8	-171.2	56.9	0	0	0	0	113.6
81	F	33.2	Very low	34.8	Very low	219 Å²	219	148.5 Å²	148.5	96%	0.961	80%	0.795	S	S	*	*			trans	-128.9	133.6	154.3	-101.4	-87	0	0	0	108.9
82	A	30.2	Very low	35.2	Very low	79 Å²	79	146 Å²	146	65%	0.653	79%	0.787	S	S	*	*			trans	-113.6	155.5	-175.8	0	0	0	0	0	111.1
83	N	35.7	Very low	35.3	Very low	157 Å²	157	141.4 Å²	141.4	84%	0.84	78%	0.779	S	S	*	*			trans	-155.6	143.9	144.1	-109.4	-43.5	0	0	0	112.3
84	H	36.6	Very low	35.4	Very low	171 Å²	171	140.8 Å²	140.8	79%	0.792	78%	0.776	S	S	*	*			trans	-61.4	144.6	-169.1	-56.3	-98.2	0	0	0	112.4
85	S	36.3	Very low	36.1	Very low	124 Å²	124	142.2 Å²	142.2	87%	0.867	78%	0.784	S	S	*	*				-166.1	166	73.9	37.8	0	0	0	0	112.8
86	S	37.9	Very low	36.3	Very low	103 Å²	103	138 Å²	138	72%	0.72	77%	0.772	S	S	*	*			trans	-110.3	142	-147.1	56.3	0	0	0	0	117.4
87	L	36.2	Very low	36.5	Very low	155 Å²	155	142.1 Å²	142.1	81%	0.812	79%	0.785	S	S	*	*			trans	29.7	120.1	132.7	-60.4	167.8	0	0	0	119.5
88	F	37.1	Very low	37.5	Very low	211 Å²	211	143.9 Å²	143.9	93%	0.925	78%	0.782	S	S	*	*				-156.7	130.8	126.9	-88.6	-64	0	0	0	110.7
89	K	40.6	Very low	37.6	Very low	202 Å²	202	143.3 Å²	143.3	88%	0.878	78%	0.782	S	S	*	*			trans	-156.5	124.7	170.8	-83.9	-168.8	-179	178	0	111.9
90	P	40.6	Very low	38.2	Very low	117 Å²	117	143.8 Å²	143.8	76%	0.76	78%	0.778	S	S	*	*			trans	-125.5	146	147.8	38.9	-27.9	0	0	0	109.8
91	V	40.8	Very low	39	Very low	131 Å²	131	145.9 Å²	145.9	79%	0.794	78%	0.782	S	S	*	*			cis	67.4	106.5	37.4	-171.6	0	0	0	0	109.3
92	V	42.8	Very low	39.7	Very low	131 Å²	131	143 Å²	143	79%	0.794	77%	0.769	S	S	*	*				-156.3	158.4	71.8	167.6	0	0	0	0	112.4
93	S	32.6	Very low	41.1	Very low	96 Å²	96	148.1 Å²	148.1	67%	0.671	78%	0.779	S	S	*	*			trans	-2.3	136.9	160.5	-153.9	0	0	0	0	123.5
94	T	36	Very low	42.4	Very low	122 Å²	122	149.5 Å²	149.5	75%	0.748	77%	0.773	S	S	*	*				26.5	147.7	129.4	-22.4	0	0	0	0	123.2
95	V	41.1	Very low	44.6	Very low	142 Å²	142	144.8 Å²	144.8	86%	0.861	75%	0.754	S	S	*	*			trans	78.2	78.6	168.5	-161.8	0	0	0	0	116.3
96	S	42.6	Very low	46.8	Very low	75 Å²	75	142.9 Å²	142.9	52%	0.524	73%	0.734	S	S	.	*			trans	-146.2	120.5	156.7	166.9	0	0	0	0	109.1	Y98	S96-Y98 PolarHBondContact O-N 3.32Å; S96-Y98 VanDerWaalsContact O-N 3.16Å; S96-Y98 PolarHBondContact OG-O 2.89Å
97	F	40.7	Very low	49.1	Very low	207 Å²	207	142.7 Å²	142.7	91%	0.908	73%	0.73	S	S	*	*	S	Bend	trans	-65.3	-19.9	-173.4	-149.3	-101.5	0	0	0	113.5
98	Y	51.1	Low	51.4	Low	180 Å²	180	140.9 Å²	140.9	71%	0.706	72%	0.721	S	S	*	*	S	Bend	trans	-105.8	123.2	170.1	-58.4	-89.6	0	0	0	109.4	S96 K100	S96-Y98 PolarHBondContact O-N 3.32Å; S96-Y98 VanDerWaalsContact O-N 3.16Å; S96-Y98 PolarHBondContact OG-O 2.89Å; Y98-K100 PolarHBondContact O-N 3.49Å
99	N	37.1	Very low	53.8	Low	141 Å²	141	135.3 Å²	135.3	75%	0.754	70%	0.697	S	S	*	*			trans	-77.4	93.7	174.7	-171.3	-23.9	0	0	0	109.8	N101	N99-N101 PolarHBondContact O-N 2.67Å; N99-N101 VanDerWaalsContact O-N 3.16Å; N99-N101 WeakPolarHBondContact OD1-CB 3.25Å; N99-N101 PolarHBondContact OD1-N 2.99Å
100	K	45.5	Very low	56	Low	162 Å²	162	132.3 Å²	132.3	70%	0.704	68%	0.68	S	S	*	*			trans	-74.4	6	-172.2	-70.5	179	179.1	176.6	0	114.9	Y98 K102	Y98-K100 PolarHBondContact O-N 3.49Å; K100-K102 PolarHBondContact O-N 3.37Å
101	N	45	Very low	58.4	Low	139 Å²	139	132.4 Å²	132.4	74%	0.743	67%	0.669	S	S	*	*			trans	-75.9	34.5	-171.4	-67.5	4.9	0	0	0	115.3	N99	N99-N101 PolarHBondContact O-N 2.67Å; N99-N101 VanDerWaalsContact O-N 3.16Å; N99-N101 WeakPolarHBondContact OD1-CB 3.25Å; N99-N101 PolarHBondContact OD1-N 2.99Å
102	K	48.1	Very low	60.6	Low	159 Å²	159	131 Å²	131	69%	0.691	66%	0.656	S	S	*	*			trans	-109.3	94.6	156	-75.7	-178	178.4	176.3	0	107.9	K100 Y104	K100-K102 PolarHBondContact O-N 3.37Å; K102-Y104 HydrophobicContact CB-CD2 4.26Å; K102-Y104 HydrophobicContact CB-CE2 4.02Å; K102-Y104 HydrophobicContact CD-CE2 4.5Å; K102-Y104 WeakPolarHBondContact O-CD2 3.35Å; K102-Y104 PolarHBondContact O-N 2.98Å
103	H	59.2	Low	62.5	Low	185 Å²	185	128.4 Å²	128.4	86%	0.856	64%	0.637	S	S	*	*			trans	-63.2	102.4	166.4	-79.8	-95.5	0	0	0	108.9	L105	H103-L105 PolarHBondContact O-N 3.36Å; H103-L105 VanDerWaalsContact O-N 3.11Å
104	Y	62.1	Low	64.7	Low	187 Å²	187	133.4 Å²	133.4	73%	0.733	64%	0.642	S	S	*	*			trans	-74.7	97.8	171.9	-85.1	-94.4	0	0	0	108.8	K102 N106	K102-Y104 HydrophobicContact CB-CD2 4.26Å; K102-Y104 HydrophobicContact CB-CE2 4.02Å; K102-Y104 HydrophobicContact CD-CE2 4.5Å; K102-Y104 WeakPolarHBondContact O-CD2 3.35Å; K102-Y104 PolarHBondContact O-N 2.98Å; Y104-N106 PolarHBondContact O-N 3.09Å
105	L	82.9	Confident	67	Low	72 Å²	72	131.2 Å²	131.2	38%	0.377	62%	0.623	S	S	.	*			trans	-52.3	127.3	174.2	-68.2	163.6	0	0	0	110.1	H103 E109 R110 I113	H103-L105 PolarHBondContact O-N 3.36Å; H103-L105 VanDerWaalsContact O-N 3.11Å; L105-E109 VanDerWaalsContact CA-OE2 3.23Å; L105-E109 WeakPolarHBondContact CA-OE2 3.44Å; L105-E109 HydrophobicContact CB-CB 4.28Å; L105-E109 HydrophobicContact CD2-CB 3.93Å; L105-R110 HydrophobicContact CB-CG 3.73Å; L105-R110 PolarHBondContact O-NE 3.01Å; L105-R110 PolarHBondContact O-NH2 3.08Å; L105-I113 HydrophobicContact CD1-CD1 3.67Å; L105-I113 HydrophobicContact CD2-CD1 3.92Å; L105-I113 HydrophobicContact CG-CD1 4.43Å
106	N	83.8	Confident	68.7	Low	84 Å²	84	127.8 Å²	127.8	45%	0.449	60%	0.604	S	S	.	*			trans	-57.7	145.6	171.1	180	-42.6	0	0	0	109.5	Y104 L108 E109 R110	Y104-N106 PolarHBondContact O-N 3.09Å; N106-L108 PolarHBondContact O-N 2.72Å; N106-L108 VanDerWaalsContact O-N 3.08Å; N106-L108 PolarHBondContact OD1-N 3.44Å; N106-E109 HydrophobicContact CB-CG 4.08Å; N106-E109 WeakPolarHBondContact CB-OE2 3.44Å; N106-E109 PolarHBondContact N-OE2 3.11Å; N106-E109 PolarHBondContact O-N 2.77Å; N106-R110 PolarHBondContact O-N 2.96Å
107	P	85.4	Confident	70.3	Confident	98 Å²	98	131 Å²	131	64%	0.636	61%	0.609	S	S	*	*	H	α-helix	trans	-43	-37.5	171	-33	36.8	0	0	0	115.5	K111	P107-K111 PolarHBondContact O-N 2.95Å; P107-K111 VanDerWaalsContact O-N 3.09Å
108	L	84.5	Confident	71.4	Confident	118 Å²	118	124.5 Å²	124.5	62%	0.618	59%	0.589	S	S	*	*	H	α-helix	trans	-65.1	-48.5	174.2	-84.9	163.3	0	0	0	112.8	N106 R110 K111 L112	N106-L108 PolarHBondContact O-N 2.72Å; N106-L108 VanDerWaalsContact O-N 3.08Å; N106-L108 PolarHBondContact OD1-N 3.44Å; L108-R110 VanDerWaalsContact C-N 3.28Å; L108-R110 PolarHBondContact O-N 3.25Å; L108-K111 WeakPolarHBondContact O-CA 3.48Å; L108-K111 WeakPolarHBondContact O-CB 3.43Å; L108-K111 PolarHBondContact O-N 2.99Å; L108-L112 PolarHBondContact O-N 2.79Å
109	E	88.2	Confident	72.2	Confident	93 Å²	93	121 Å²	121	44%	0.435	58%	0.582	S	S	.	*	H	α-helix	trans	-61.6	-38	177.5	-61.2	171.6	136.1	0	0	111.3	L105 N106 K111 L112 I113	L105-E109 VanDerWaalsContact CA-OE2 3.23Å; L105-E109 WeakPolarHBondContact CA-OE2 3.44Å; L105-E109 HydrophobicContact CB-CB 4.28Å; L105-E109 HydrophobicContact CD2-CB 3.93Å; N106-E109 HydrophobicContact CB-CG 4.08Å; N106-E109 WeakPolarHBondContact CB-OE2 3.44Å; N106-E109 PolarHBondContact N-OE2 3.11Å; N106-E109 PolarHBondContact O-N 2.77Å; E109-K111 VanDerWaalsContact C-N 3.3Å; E109-K111 PolarHBondContact O-N 3.16Å; E109-L112 PolarHBondContact O-N 2.79Å; E109-I113 WeakPolarHBondContact O-CB 3.23Å; E109-I113 WeakPolarHBondContact O-CD1 3.48Å; E109-I113 VanDerWaalsContact O-CG1 3.26Å; E109-I113 WeakPolarHBondContact O-CG1 3.35Å; E109-I113 PolarHBondContact O-N 3.2Å
110	R	86.8	Confident	72.9	Confident	139 Å²	139	118 Å²	118	53%	0.525	57%	0.57	S	S	.	*	H	α-helix	trans	-64.9	-32.5	173.4	-62.2	-176.9	-149.8	168	11.3	112.6	L105 N106 L108 R114	L105-R110 HydrophobicContact CB-CG 3.73Å; L105-R110 PolarHBondContact O-NE 3.01Å; L105-R110 PolarHBondContact O-NH2 3.08Å; N106-R110 PolarHBondContact O-N 2.96Å; L108-R110 VanDerWaalsContact C-N 3.28Å; L108-R110 PolarHBondContact O-N 3.25Å; R110-R114 WeakPolarHBondContact O-CB 3.4Å; R110-R114 PolarHBondContact O-N 3.08Å
111	K	89.7	Confident	73.4	Confident	120 Å²	120	116 Å²	116	52%	0.522	57%	0.567	S	S	.	*	H	α-helix	trans	-69.2	-49.6	175.1	-164.9	-175.7	-175.9	-102	0	110.4	P107 L108 E109 I113 R114 E115	P107-K111 PolarHBondContact O-N 2.95Å; P107-K111 VanDerWaalsContact O-N 3.09Å; L108-K111 WeakPolarHBondContact O-CA 3.48Å; L108-K111 WeakPolarHBondContact O-CB 3.43Å; L108-K111 PolarHBondContact O-N 2.99Å; E109-K111 VanDerWaalsContact C-N 3.3Å; E109-K111 PolarHBondContact O-N 3.16Å; K111-I113 PolarHBondContact O-N 2.88Å; K111-R114 WeakPolarHBondContact O-CA 3.5Å; K111-R114 VanDerWaalsContact O-CB 3.22Å; K111-R114 WeakPolarHBondContact O-CB 3.46Å; K111-R114 PolarHBondContact O-N 3.49Å; K111-E115 VanDerWaalsContact CE-OE1 3.25Å; K111-E115 WeakPolarHBondContact CE-OE1 3.26Å; K111-E115 IonicContact NZ-OE1 2.67Å; K111-E115 PolarHBondContact NZ-OE1 3.41Å; K111-E115 PolarHBondContact O-N 2.94Å
112	L	87.8	Confident	73.7	Confident	100 Å²	100	112.6 Å²	112.6	52%	0.524	56%	0.558	S	S	.	*	H	α-helix	trans	-58.5	-45.6	177.3	-67.8	166.2	0	0	0	111.9	L108 E109 R114 E115 C116	L108-L112 PolarHBondContact O-N 2.79Å; E109-L112 PolarHBondContact O-N 2.79Å; L112-R114 PolarHBondContact O-N 3.07Å; L112-E115 PolarHBondContact O-N 2.89Å; L112-C116 WeakPolarHBondContact O-CB 3.42Å; L112-C116 PolarHBondContact O-N 3.3Å; L112-C116 PolarHBondContact O-SG 3.43Å
113	I	83.2	Confident	73.9	Confident	78 Å²	78	110 Å²	110	40%	0.4	56%	0.556	S	S	.	*	H	α-helix	trans	-61.7	-27.7	175.5	-70.1	163.6	0	0	0	112.2	L105 E109 K111 K117	L105-I113 HydrophobicContact CD1-CD1 3.67Å; L105-I113 HydrophobicContact CD2-CD1 3.92Å; L105-I113 HydrophobicContact CG-CD1 4.43Å; E109-I113 WeakPolarHBondContact O-CB 3.23Å; E109-I113 WeakPolarHBondContact O-CD1 3.48Å; E109-I113 VanDerWaalsContact O-CG1 3.26Å; E109-I113 WeakPolarHBondContact O-CG1 3.35Å; E109-I113 PolarHBondContact O-N 3.2Å; K111-I113 PolarHBondContact O-N 2.88Å; I113-K117 WeakPolarHBondContact O-CB 3.43Å; I113-K117 VanDerWaalsContact O-CG 3.31Å; I113-K117 WeakPolarHBondContact O-CG 3.22Å; I113-K117 PolarHBondContact O-N 2.94Å
114	R	79.3	Confident	73.4	Confident	201 Å²	201	109.3 Å²	109.3	76%	0.758	55%	0.551	S	S	*	*	H	α-helix	trans	-75.6	-44.4	175.2	-149.9	177.3	-158.8	170.3	5	111.3	R110 K111 L112 K117 S118	R110-R114 WeakPolarHBondContact O-CB 3.4Å; R110-R114 PolarHBondContact O-N 3.08Å; K111-R114 WeakPolarHBondContact O-CA 3.5Å; K111-R114 VanDerWaalsContact O-CB 3.22Å; K111-R114 WeakPolarHBondContact O-CB 3.46Å; K111-R114 PolarHBondContact O-N 3.49Å; L112-R114 PolarHBondContact O-N 3.07Å; R114-K117 PolarHBondContact O-N 2.96Å; R114-S118 PolarHBondContact O-N 3.26Å; R114-S118 VanDerWaalsContact O-N 3.12Å; R114-S118 PolarHBondContact O-OG 3.28Å
115	E	82.6	Confident	72.4	Confident	75 Å²	75	106.5 Å²	106.5	35%	0.35	55%	0.548	S	S	.	.	H	α-helix	trans	-65.6	-45.8	178.8	-72.4	164.3	174	0	0	111.3	K111 L112 K117 S118 I119	K111-E115 VanDerWaalsContact CE-OE1 3.25Å; K111-E115 WeakPolarHBondContact CE-OE1 3.26Å; K111-E115 IonicContact NZ-OE1 2.67Å; K111-E115 PolarHBondContact NZ-OE1 3.41Å; K111-E115 PolarHBondContact O-N 2.94Å; L112-E115 PolarHBondContact O-N 2.89Å; E115-K117 VanDerWaalsContact C-N 3.28Å; E115-K117 PolarHBondContact O-N 3.42Å; E115-S118 WeakPolarHBondContact CA-OG 3.25Å; E115-S118 PolarHBondContact O-N 2.86Å; E115-S118 VanDerWaalsContact O-N 3.15Å; E115-S118 PolarHBondContact O-OG 3.18Å; E115-I119 WeakPolarHBondContact O-CG1 3.5Å; E115-I119 PolarHBondContact O-N 3.21Å
116	C	78.1	Confident	70.3	Confident	71 Å²	71	111.3 Å²	111.3	48%	0.48	57%	0.569	S	S	.	*	H	α-helix	trans	-59.5	-35.2	171.7	-65.7	0	0	0	0	112.8	L112 I119 C120	L112-C116 WeakPolarHBondContact O-CB 3.42Å; L112-C116 PolarHBondContact O-N 3.3Å; L112-C116 PolarHBondContact O-SG 3.43Å; C116-I119 PolarHBondContact O-N 3.18Å; C116-C120 WeakPolarHBondContact O-CB 3.45Å; C116-C120 PolarHBondContact O-N 2.98Å; C116-C120 PolarHBondContact O-SG 3.31Å
117	K	74.8	Confident	68.1	Low	142 Å²	142	115.1 Å²	115.1	62%	0.617	59%	0.589	S	S	*	*	H	α-helix	trans	-68.9	-34.6	175.3	-84.5	-177.9	177.1	-174.6	0	113.2	I113 R114 E115 L121	I113-K117 WeakPolarHBondContact O-CB 3.43Å; I113-K117 VanDerWaalsContact O-CG 3.31Å; I113-K117 WeakPolarHBondContact O-CG 3.22Å; I113-K117 PolarHBondContact O-N 2.94Å; R114-K117 PolarHBondContact O-N 2.96Å; E115-K117 VanDerWaalsContact C-N 3.28Å; E115-K117 PolarHBondContact O-N 3.42Å; K117-L121 WeakPolarHBondContact O-CB 3.39Å; K117-L121 WeakPolarHBondContact O-CD1 3.31Å; K117-L121 VanDerWaalsContact O-CG 3.25Å; K117-L121 WeakPolarHBondContact O-CG 3.43Å; K117-L121 PolarHBondContact O-N 3.06Å
118	S	65.6	Low	65.8	Low	71 Å²	71	119.4 Å²	119.4	50%	0.497	60%	0.598	S	S	.	*	H	α-helix	trans	-65.7	-42.1	169.7	26.4	0	0	0	0	112.1	R114 E115 L121 A122	R114-S118 PolarHBondContact O-N 3.26Å; R114-S118 VanDerWaalsContact O-N 3.12Å; R114-S118 PolarHBondContact O-OG 3.28Å; E115-S118 WeakPolarHBondContact CA-OG 3.25Å; E115-S118 PolarHBondContact O-N 2.86Å; E115-S118 VanDerWaalsContact O-N 3.15Å; E115-S118 PolarHBondContact O-OG 3.18Å; S118-L121 PolarHBondContact O-N 2.88Å; S118-A122 PolarHBondContact O-N 3.15Å
119	I	66.1	Low	63.4	Low	106 Å²	106	119.6 Å²	119.6	54%	0.544	61%	0.606	S	S	.	*	H	α-helix	trans	-62.7	-49.1	179.2	-64.8	164.2	0	0	0	110.7	E115 C116 L121 A122 T123	E115-I119 WeakPolarHBondContact O-CG1 3.5Å; E115-I119 PolarHBondContact O-N 3.21Å; C116-I119 PolarHBondContact O-N 3.18Å; I119-L121 PolarHBondContact O-N 3.05Å; I119-L121 VanDerWaalsContact O-N 3.15Å; I119-A122 WeakPolarHBondContact O-CB 3.5Å; I119-A122 PolarHBondContact O-N 2.91Å; I119-A122 VanDerWaalsContact O-N 3.09Å; I119-T123 PolarHBondContact O-N 3.12Å; I119-T123 VanDerWaalsContact O-N 3.1Å; I119-T123 PolarHBondContact O-OG1 3.32Å
120	C	52.3	Low	61	Low	77 Å²	77	124.9 Å²	124.9	52%	0.52	63%	0.628	S	S	.	*	H	α-helix	trans	-70.3	-5.6	177.7	-65.8	0	0	0	0	115.1	C116	C116-C120 WeakPolarHBondContact O-CB 3.45Å; C116-C120 PolarHBondContact O-N 2.98Å; C116-C120 PolarHBondContact O-SG 3.31Å
121	L	55.3	Low	58.5	Low	121 Å²	121	123.8 Å²	123.8	63%	0.634	64%	0.639	S	S	*	*	H	α-helix	trans	-99	-27.1	169	-73.6	171.6	0	0	0	112.1	K117 S118 I119 N125	K117-L121 WeakPolarHBondContact O-CB 3.39Å; K117-L121 WeakPolarHBondContact O-CD1 3.31Å; K117-L121 VanDerWaalsContact O-CG 3.25Å; K117-L121 WeakPolarHBondContact O-CG 3.43Å; K117-L121 PolarHBondContact O-N 3.06Å; S118-L121 PolarHBondContact O-N 2.88Å; I119-L121 PolarHBondContact O-N 3.05Å; I119-L121 VanDerWaalsContact O-N 3.15Å; L121-N125 PolarHBondContact O-ND2 2.69Å
122	A	52.8	Low	55.7	Low	68 Å²	68	123.4 Å²	123.4	56%	0.562	65%	0.651	S	S	*	*	H	α-helix	trans	-67.5	-45.9	171	0	0	0	0	0	111.1	S118 I119 K124 N125	S118-A122 PolarHBondContact O-N 3.15Å; I119-A122 WeakPolarHBondContact O-CB 3.5Å; I119-A122 PolarHBondContact O-N 2.91Å; I119-A122 VanDerWaalsContact O-N 3.09Å; A122-K124 PolarHBondContact O-N 3.32Å; A122-K124 VanDerWaalsContact O-N 3.09Å; A122-N125 PolarHBondContact O-ND2 3.23Å
123	T	51.7	Low	53.5	Low	104 Å²	104	125.6 Å²	125.6	64%	0.638	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	11.8	-177.1	62.7	0	0	0	0	115	I119	I119-T123 PolarHBondContact O-N 3.12Å; I119-T123 VanDerWaalsContact O-N 3.1Å; I119-T123 PolarHBondContact O-OG1 3.32Å
124	K	48.9	Very low	51.1	Low	171 Å²	171	127.6 Å²	127.6	74%	0.743	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	11.7	179.6	-78.2	-161.7	170.3	-155.9	0	114.6	A122	A122-K124 PolarHBondContact O-N 3.32Å; A122-K124 VanDerWaalsContact O-N 3.09Å
125	N	41.5	Very low	49	Very low	127 Å²	127	126.5 Å²	126.5	68%	0.679	69%	0.688	S	S	*	*	S	Bend	trans	-106.8	4.1	179.6	-54.4	-59.1	0	0	0	113.7	L121 A122	L121-N125 PolarHBondContact O-ND2 2.69Å; A122-N125 PolarHBondContact O-ND2 3.23Å
126	E	37.4	Very low	46.9	Very low	173 Å²	173	132.1 Å²	132.1	81%	0.808	71%	0.711	S	S	*	*			trans	-110.1	77.4	177.8	-77.3	-67.2	144	0	0	110.4
127	D	37.7	Very low	45.3	Very low	164 Å²	164	136 Å²	136	88%	0.877	73%	0.725	S	S	*	*			trans	-148.2	134.7	163.5	-107	-42.1	0	0	0	109.5
128	K	37.4	Very low	43.5	Very low	189 Å²	189	136.3 Å²	136.3	82%	0.822	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-84.2	143.7	-161.7	-75.6	170.7	177.6	166.3	0	114.1
129	P	34.6	Very low	42.2	Very low	122 Å²	122	144.6 Å²	144.6	79%	0.792	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-74.5	140.7	164.8	32.2	-33.5	0	0	0	111.3
130	F	37	Very low	40.8	Very low	204 Å²	204	147.9 Å²	147.9	90%	0.895	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-76.8	141.8	171	-84.8	-98.1	0	0	0	111.4
131	P	35.1	Very low	40.1	Very low	116 Å²	116	149.6 Å²	149.6	75%	0.753	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-81.4	139.4	-177.2	32.3	-34.7	0	0	0	112.7
132	S	30.8	Very low	39.3	Very low	112 Å²	112	150.3 Å²	150.3	78%	0.783	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-84	123.7	168.7	57	0	0	0	0	111
133	V	40.5	Very low	38.3	Very low	146 Å²	146	152.6 Å²	152.6	89%	0.885	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-77.9	135.1	168.6	-179.2	0	0	0	0	110.1
134	T	34	Very low	37.8	Very low	119 Å²	119	154.2 Å²	154.2	73%	0.73	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-89.3	146.7	-175.6	38.1	0	0	0	0	114.1
135	E	35.1	Very low	37.1	Very low	178 Å²	178	155.2 Å²	155.2	83%	0.832	80%	0.804	S	S	*	*			trans	-138	129.1	133.3	-129.9	-178.7	-159.8	0	0	111.2
136	K	38.3	Very low	37	Very low	194 Å²	194	157.4 Å²	157.4	84%	0.843	82%	0.815	S	S	*	*			trans	-150.8	96.5	174.3	-84.6	-168.6	177	177.3	0	109.7	Q138	K136-Q138 PolarHBondContact O-N 3.08Å
137	I	44.9	Very low	37.1	Very low	151 Å²	151	158.4 Å²	158.4	77%	0.774	82%	0.817	S	S	*	*			trans	-72.7	114.3	173.4	-64.9	175.4	0	0	0	109.2
138	Q	37.4	Very low	37	Very low	150 Å²	150	161 Å²	161	70%	0.701	82%	0.82	S	S	*	*			trans	-82.2	140.6	167.5	-63.8	-176.9	24.5	0	0	110.3	K136	K136-Q138 PolarHBondContact O-N 3.08Å
139	R	37.5	Very low	36.7	Very low	244 Å²	244	163.3 Å²	163.3	92%	0.921	82%	0.824	S	S	*	*			trans	-127.7	134.2	148.7	-76.1	-171.3	170	171	-2.1	109.2
140	K	36.2	Very low	36.9	Very low	176 Å²	176	166 Å²	166	77%	0.765	83%	0.826	S	S	*	*			trans	-95.3	160	-174.9	-84.7	178.4	178.1	174.9	0	111.2
141	P	38.5	Very low	36.9	Very low	113 Å²	113	165.9 Å²	165.9	73%	0.734	83%	0.825	S	S	*	*			trans	-88.2	166.2	-166.6	36	-37.6	0	0	0	113.8
142	V	37.6	Very low	36.7	Very low	135 Å²	135	165.4 Å²	165.4	82%	0.818	83%	0.825	S	S	*	*			trans	-123.5	131.3	163.1	177.5	0	0	0	0	108.3
143	C	31.9	Very low	37.2	Very low	116 Å²	116	168.6 Å²	168.6	78%	0.784	83%	0.832	S	S	*	*			trans	-115.4	127.6	172.2	-63.8	0	0	0	0	110.2
144	T	40.7	Very low	36.8	Very low	138 Å²	138	168.2 Å²	168.2	85%	0.847	83%	0.831	S	S	*	*			trans	-115.3	156.5	161.3	49	0	0	0	0	110
145	K	35.8	Very low	36.9	Very low	192 Å²	192	167 Å²	167	84%	0.835	83%	0.833	S	S	*	*			trans	-103.3	150.6	-160.7	-58.6	154.4	-175.6	164	0	110.2
146	N	39.6	Very low	36.8	Very low	173 Å²	173	166.3 Å²	166.3	93%	0.925	84%	0.835	S	S	*	*			trans	-150.5	149.3	132.9	-109.7	-35.7	0	0	0	112.9
147	K	37.5	Very low	36.6	Very low	195 Å²	195	165.9 Å²	165.9	85%	0.848	84%	0.835	S	S	*	*			trans	-112	143.4	-174.7	-67.2	173.9	177.9	172.5	0	110.6
148	K	35.7	Very low	36.3	Very low	217 Å²	217	167.1 Å²	167.1	94%	0.943	84%	0.838	S	S	*	*			trans	-147.8	147.5	135.4	-124.3	170	-177.6	176.5	0	110.6
149	R	31.2	Very low	36.7	Very low	239 Å²	239	165.4 Å²	165.4	90%	0.902	84%	0.839	S	S	*	*			trans	-120.3	137	-178.9	-88.6	-177.9	162	-164.2	-3.4	109.1
150	Q	39.6	Very low	36.6	Very low	178 Å²	178	160.7 Å²	160.7	83%	0.832	83%	0.832	S	S	*	*			trans	-163	112.9	138.5	-105.8	160.7	-4.1	0	0	106.3
151	K	36.7	Very low	36.7	Very low	201 Å²	201	162.7 Å²	162.7	87%	0.874	84%	0.837	S	S	*	*				88.5	115.7	86.4	-88.1	-162.9	173.5	-173.6	0	111.3
152	S	32.2	Very low	36.7	Very low	107 Å²	107	166.9 Å²	166.9	75%	0.748	84%	0.844	S	S	*	*			trans	-64	146.8	178.4	49.2	0	0	0	0	114.3
153	L	39.9	Very low	36.5	Very low	178 Å²	178	168.1 Å²	168.1	93%	0.932	84%	0.84	S	S	*	*			trans	-136.6	148.3	136.5	-81.1	-176.6	0	0	0	110
154	T	32.2	Very low	36.9	Very low	139 Å²	139	169.2 Å²	169.2	85%	0.853	84%	0.843	S	S	*	*			trans	-99.5	136.2	-178.1	46.9	0	0	0	0	111.4
155	A	37	Very low	36.6	Very low	94 Å²	94	170.9 Å²	170.9	78%	0.777	84%	0.838	S	S	*	*			trans	-145.5	131	163.8	0	0	0	0	0	110.3
156	N	31.9	Very low	36.4	Very low	163 Å²	163	167.3 Å²	167.3	87%	0.872	84%	0.837	S	S	*	*			trans	-87.4	135	176.1	-65	-53.3	0	0	0	110
157	H	33.9	Very low	36.2	Very low	185 Å²	185	167.1 Å²	167.1	86%	0.856	84%	0.835	S	S	*	*			trans	-142.3	113.8	162	-96.2	-65.4	0	0	0	112.1
158	Q	39.1	Very low	35.9	Very low	177 Å²	177	162.8 Å²	162.8	83%	0.827	83%	0.829	S	S	*	*			trans	-86.2	140.7	161.7	-71.4	-172.6	-11	0	0	110.2	N160	Q158-N160 PolarHBondContact O-N 3.12Å
159	P	46	Very low	35.9	Very low	113 Å²	113	164.3 Å²	164.3	73%	0.734	83%	0.829	S	S	*	*			trans	-77.2	102.8	167	31	-31.5	0	0	0	110	Y161	P159-Y161 PolarHBondContact O-N 3.24Å
160	N	35.6	Very low	35.8	Very low	145 Å²	145	160.1 Å²	160.1	78%	0.775	82%	0.824	S	S	*	*			trans	-84.2	113.3	-177.4	-166.4	-14.3	0	0	0	111.3	Q158 K162	Q158-N160 PolarHBondContact O-N 3.12Å; N160-K162 PolarHBondContact O-N 3.38Å
161	Y	38.7	Very low	35.5	Very low	219 Å²	219	157.7 Å²	157.7	86%	0.859	82%	0.816	S	S	*	*			trans	-71.6	108.2	-176.9	-83.6	-91.3	0	0	0	112.1	P159 H163	P159-Y161 PolarHBondContact O-N 3.24Å; Y161-H163 PolarHBondContact O-N 3.28Å
162	K	38.9	Very low	35.4	Very low	201 Å²	201	158.1 Å²	158.1	87%	0.874	82%	0.818	S	S	*	*			trans	-75	123.4	177	-75.4	-174	175.2	180	0	112.4	N160 V164	N160-K162 PolarHBondContact O-N 3.38Å; K162-V164 PolarHBondContact O-N 2.91Å
163	H	33.6	Very low	35.3	Very low	161 Å²	161	159.4 Å²	159.4	75%	0.745	82%	0.816	S	S	*	*			trans	-77.4	105.9	-178	-173.3	-52.2	0	0	0	111.9	Y161 K165	Y161-H163 PolarHBondContact O-N 3.28Å; H163-K165 PolarHBondContact O-N 3.06Å
164	V	38.3	Very low	35.2	Very low	138 Å²	138	156.4 Å²	156.4	84%	0.836	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-78.8	118.2	173.5	-179.5	0	0	0	0	109.8	K162	K162-V164 PolarHBondContact O-N 2.91Å
165	K	35.8	Very low	35.5	Very low	173 Å²	173	159.7 Å²	159.7	75%	0.752	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-86.6	146.3	174	-74.3	-178.9	175.8	177.6	0	110.9	H163	H163-K165 PolarHBondContact O-N 3.06Å
166	S	30.5	Very low	35.4	Very low	117 Å²	117	161.3 Å²	161.3	82%	0.818	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-70.3	136	176.1	53.1	0	0	0	0	112.5
167	I	35.4	Very low	35.3	Very low	169 Å²	169	159.5 Å²	159.5	87%	0.867	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-101.4	129.2	161.9	-65.1	172	0	0	0	107.9
168	S	32.1	Very low	35.1	Very low	104 Å²	104	158.7 Å²	158.7	73%	0.727	81%	0.812	S	S	*	*			trans	-118	143.2	171.1	60.2	0	0	0	0	110
169	R	34.6	Very low	34.9	Very low	249 Å²	249	157.1 Å²	157.1	94%	0.94	81%	0.814	S	S	*	*			trans	-156	124.3	157.6	-109.6	160.9	-162.1	-173.5	3.7	111.2
170	N	30.2	Very low	34	Very low	152 Å²	152	156 Å²	156	81%	0.813	81%	0.806	S	S	*	*			trans	-64	172.2	165.2	-75.6	-51.9	0	0	0	110.8
171	L	32.7	Very low	33.9	Very low	126 Å²	126	158.5 Å²	158.5	66%	0.66	81%	0.806	S	S	*	*			cis	173.9	147.1	-20.2	175.2	76.8	0	0	0	104.4
172	K	34.6	Very low	33.8	Very low	211 Å²	211	156.6 Å²	156.6	92%	0.917	80%	0.802	S	S	*	*			trans	-154.7	143.9	158.6	-115.4	164.5	-174.8	178.6	0	111.6
173	N	29.7	Very low	33.4	Very low	133 Å²	133	152.4 Å²	152.4	71%	0.711	80%	0.795	S	S	*	*			trans	-125.7	148.1	-166.7	-61.7	-20.9	0	0	0	112.5
174	S	38.3	Very low	33.5	Very low	116 Å²	116	151.2 Å²	151.2	81%	0.811	80%	0.799	S	S	*	*			trans	-144.2	101.3	155.6	40.9	0	0	0	0	107.1
175	K	38.7	Very low	33.3	Very low	208 Å²	208	150.3 Å²	150.3	90%	0.904	79%	0.793	S	S	*	*				80.6	141.5	91.6	-88.3	-166.1	174.2	-175.1	0	113.8
176	P	34.6	Very low	33.1	Very low	127 Å²	127	147.5 Å²	147.5	83%	0.825	79%	0.787	S	S	*	*			trans	-119.4	175.3	-155.2	42.1	-29.3	0	0	0	115.1
177	S	30.7	Very low	33.3	Very low	126 Å²	126	148.8 Å²	148.8	88%	0.881	78%	0.778	S	S	*	*			trans	-142.3	166.5	160.7	63	0	0	0	0	111.3
178	Q	29	Very low	33	Very low	167 Å²	167	148.3 Å²	148.3	78%	0.78	77%	0.772	S	S	*	*			trans	-146.8	132.5	-157.9	169.8	-166.4	-4.5	0	0	111.2
179	V	33.9	Very low	32.9	Very low	144 Å²	144	151 Å²	151	87%	0.873	78%	0.778	S	S	*	*			trans	-141.7	155.3	161.5	-172.6	0	0	0	0	109.5
180	T	27.5	Very low	32.6	Very low	90 Å²	90	143.7 Å²	143.7	55%	0.552	77%	0.765	S	S	*	*			trans	-120.3	-174.6	-161.4	-54.8	0	0	0	0	111.9
181	Y	33.7	Very low	32.5	Very low	197 Å²	197	142.4 Å²	142.4	77%	0.773	77%	0.766	S	S	*	*			trans	96.9	141.9	162.8	-55.2	-71.6	0	0	0	117.6
182	K	36.2	Very low	32.4	Very low	180 Å²	180	145.7 Å²	145.7	78%	0.783	78%	0.776	S	S	*	*			cis	-163.2	154.4	-37.7	-121.9	-169.1	-170.9	-179.2	0	108.1
183	P	32.1	Very low	32.5	Very low	113 Å²	113	141 Å²	141	73%	0.734	77%	0.767	S	S	*	*			trans	-105.4	156.1	-170.9	38.9	-33.9	0	0	0	116.1
184	V	34.3	Very low	32.7	Very low	136 Å²	136	139.7 Å²	139.7	82%	0.824	77%	0.766	S	S	*	*			trans	-152.6	124.4	175.7	172.4	0	0	0	0	105.4
185	V	35	Very low	32.4	Very low	118 Å²	118	141.8 Å²	141.8	72%	0.715	76%	0.763	S	S	*	*			cis	79.4	122	36.1	-173.9	0	0	0	0	110.6
186	D	32	Very low	32.1	Very low	114 Å²	114	138 Å²	138	61%	0.61	75%	0.752	S	S	*	*			cis	-158.6	178.3	32.2	-145.3	-11.8	0	0	0	113.7
187	K	33.2	Very low	32.6	Very low	145 Å²	145	137.5 Å²	137.5	63%	0.63	75%	0.749	S	S	*	*			trans	40.8	122.7	150.8	-74.5	170.3	-174.4	89.4	0	121.7
188	E	29.7	Very low	33.1	Very low	159 Å²	159	136.6 Å²	136.6	74%	0.743	74%	0.74	S	S	*	*				70.1	113.2	71.6	-70.2	-172.7	137.3	0	0	116.2
189	N	30.5	Very low	33.4	Very low	161 Å²	161	135.9 Å²	135.9	86%	0.861	74%	0.742	S	S	*	*				-170.4	174.8	105	-106.3	-57.7	0	0	0	114
190	S	28.1	Very low	33.7	Very low	94 Å²	94	134.7 Å²	134.7	66%	0.657	74%	0.74	S	S	*	*			trans	-120.1	156.5	-168.7	62.2	0	0	0	0	114.3
191	C	28.8	Very low	34.4	Very low	126 Å²	126	136.2 Å²	136.2	85%	0.851	75%	0.751	S	S	*	*			trans	-167.1	163.8	134.9	-102.4	0	0	0	0	112.4
192	F	29.4	Very low	34.6	Very low	194 Å²	194	130.9 Å²	130.9	85%	0.851	74%	0.741	S	S	*	*			trans	-122.2	-142.4	-178.3	-73.5	-88.9	0	0	0	111
193	P	37.5	Very low	35	Very low	112 Å²	112	131.9 Å²	131.9	73%	0.727	74%	0.74	S	S	*	*				-122	-139.2	-106.6	43.2	-23.9	0	0	0	110
194	P	33.9	Very low	35.3	Very low	107 Å²	107	127.6 Å²	127.6	70%	0.695	71%	0.712	S	S	*	*			cis	-131.6	-140.9	-20.5	36	-12.9	0	0	0	112.7
195	E	30.8	Very low	35.3	Very low	160 Å²	160	125.6 Å²	125.6	75%	0.748	70%	0.695	S	S	*	*			trans	90.1	147.2	166.2	-53.1	-127.1	117.2	0	0	118.4
196	N	32.3	Very low	35.9	Very low	127 Å²	127	121.2 Å²	121.2	68%	0.679	67%	0.67	S	S	*	*			cis	-167.9	117.8	-41.5	-103.8	-28.9	0	0	0	108.4
197	P	45.4	Very low	36.8	Very low	117 Å²	117	119.7 Å²	119.7	76%	0.76	66%	0.66	S	S	*	*			trans	-92	172.5	176.4	37.9	-35.7	0	0	0	112.3
198	P	41.9	Very low	37.1	Very low	107 Å²	107	118.8 Å²	118.8	70%	0.695	66%	0.655	S	S	*	*				-162.2	-178.2	110.8	40.8	-20.6	0	0	0	119.2
199	N	35.1	Very low	37.6	Very low	152 Å²	152	116.8 Å²	116.8	81%	0.813	65%	0.649	S	S	*	*			trans	88.2	102.8	146.6	-67.2	-22.9	0	0	0	123.7
200	S	40.9	Very low	38.1	Very low	120 Å²	120	117.9 Å²	117.9	84%	0.839	64%	0.641	S	S	*	*				-174	158.9	113.9	40.4	0	0	0	0	112.4
201	P	41.6	Very low	38.7	Very low	122 Å²	122	119.4 Å²	119.4	79%	0.792	65%	0.648	S	S	*	*			trans	-124.3	152.8	-157.4	40.6	-28	0	0	0	118.1
202	P	38.4	Very low	39	Very low	85 Å²	85	123.4 Å²	123.4	55%	0.552	65%	0.645	S	S	*	*			trans	-113.5	179.5	161.1	-2.1	25.2	0	0	0	116.1	L503	P202-L503 HydrophobicContact CB-CD1 4.1Å; P202-L503 HydrophobicContact CB-CD2 3.89Å; P202-L503 HydrophobicContact CG-CD2 3.95Å
203	R	44.9	Very low	39.3	Very low	200 Å²	200	120.6 Å²	120.6	76%	0.755	64%	0.644	S	S	*	*			trans	-102.2	151.1	-162.5	-53.6	160.9	163.2	167.2	-8.4	115.1	L503 R517	R203-L503 WeakPolarHBondContact O-CD1 3.49Å; R203-R517 VanDerWaalsContact C-NH1 3.33Å; R203-R517 PolarHBondContact O-NH1 3.41Å
204	V	38	Very low	39.5	Very low	24 Å²	24	119.7 Å²	119.7	15%	0.145	64%	0.636	C	S	.	*			trans	-135.5	143.8	-179.7	-168.7	0	0	0	0	117.4	L503 S504 E505 R517	V204-L503 HydrophobicContact CG2-CB 3.72Å; V204-S504 VanDerWaalsContact CG2-O 3.27Å; V204-S504 WeakPolarHBondContact CG2-O 3.07Å; V204-E505 HydrophobicContact CB-CG 4.1Å; V204-E505 HydrophobicContact CG1-CG 3.5Å; V204-R517 VanDerWaalsContact C-CZ 3.41Å; V204-R517 VanDerWaalsContact C-NH1 3.26Å; V204-R517 HydrophobicContact CG1-CB 4.46Å; V204-R517 VanDerWaalsContact N-NH1 3.13Å; V204-R517 PolarHBondContact O-NH1 2.98Å
205	L	33.8	Very low	39.8	Very low	93 Å²	93	122.8 Å²	122.8	49%	0.487	65%	0.646	S	S	.	*			trans	-114.4	143.7	144	-75.6	-165.9	0	0	0	106.6	W516 R517	L205-W516 CarbonylContact O-C 3.54Å; L205-W516 VanDerWaalsContact O-C 3.26Å; L205-W516 VanDerWaalsContact O-CA 3.23Å; L205-W516 WeakPolarHBondContact O-CA 3.25Å; L205-R517 HydrophobicContact CB-CG 4.12Å; L205-R517 PolarHBondContact O-N 3.1Å
206	S	46.8	Very low	40.6	Very low	26 Å²	26	124.5 Å²	124.5	18%	0.182	65%	0.654	C	S	.	*			cis	93	122.6	4.4	120	0	0	0	0	117.8	E505 S513 A515	S206-E505 WeakPolarHBondContact CA-OE1 3.34Å; S206-E505 WeakPolarHBondContact CB-OE1 3.48Å; S206-S513 WeakPolarHBondContact CB-OG 3.07Å; S206-A515 WeakPolarHBondContact CA-O 3.34Å; S206-A515 PolarHBondContact N-O 3.28Å
207	Q	50.9	Low	40.9	Very low	83 Å²	83	122.2 Å²	122.2	39%	0.388	66%	0.661	S	S	.	*			trans	101.8	134.7	164.1	-58.1	-160	20.4	0	0	118.8	S513 R514 A515	Q207-S513 VanDerWaalsContact N-CA 3.26Å; Q207-R514 VanDerWaalsContact C-N 3.34Å; Q207-A515 WeakPolarHBondContact O-CB 3.49Å; Q207-A515 PolarHBondContact O-N 2.86Å
208	K	41	Very low	40.4	Very low	125 Å²	125	120.8 Å²	120.8	54%	0.543	67%	0.667	S	S	.	*			cis	-153.9	165.4	-1.7	-130.1	168.7	-170.7	150	0	113.6	R514	K208-R514 WeakPolarHBondContact O-CB 3.22Å; K208-R514 WeakPolarHBondContact O-CD 3.47Å
209	I	39.3	Very low	40.3	Very low	117 Å²	117	120 Å²	120	60%	0.6	67%	0.67	S	S	*	*			trans	105.9	121	173.3	-55.9	161.9	0	0	0	116.2	R514	I209-R514 VanDerWaalsContact O-CD 3.25Å; I209-R514 WeakPolarHBondContact O-CD 3.47Å; I209-R514 PolarHBondContact O-NE 2.79Å
210	R	40.9	Very low	40.6	Very low	185 Å²	185	117.3 Å²	117.3	70%	0.698	67%	0.668	S	S	*	*			trans	-125.8	-177.6	171.1	-119.7	-171.1	-156.9	160.6	17.5	106.3	C512	R210-C512 WeakPolarHBondContact CD-SG 3.43Å; R210-C512 VanDerWaalsContact CG-SG 3.59Å; R210-C512 PolarHBondContact NE-SG 3Å
211	P	40.7	Very low	41	Very low	125 Å²	125	119.9 Å²	119.9	81%	0.812	67%	0.665	S	S	*	*			cis	-139.6	-165.7	31.3	41.8	-20.6	0	0	0	115.4
212	R	35.4	Very low	40.8	Very low	210 Å²	210	123.1 Å²	123.1	79%	0.792	67%	0.667	S	S	*	*			trans	-124.5	135.8	178.1	178.9	-169.2	-171.1	-172.7	2.7	107.3	T214	R212-T214 HydrophobicContact CG-CG2 4.12Å
213	V	36.5	Very low	40.8	Very low	136 Å²	136	126.3 Å²	126.3	82%	0.824	69%	0.685	S	S	*	*			trans	-99.8	131.6	164.1	-168.5	0	0	0	0	107.8
214	T	40	Very low	40.5	Very low	92 Å²	92	127.7 Å²	127.7	56%	0.564	69%	0.69	S	S	*	*			trans	-121.2	111.7	172.2	44.5	0	0	0	0	108.3	R212	R212-T214 HydrophobicContact CG-CG2 4.12Å
215	L	42.1	Very low	40.3	Very low	173 Å²	173	135.4 Å²	135.4	91%	0.906	72%	0.721	S	S	*	*			trans	-96.5	131.3	160	-69.9	176.3	0	0	0	108.2
216	Q	46	Very low	40.5	Very low	196 Å²	196	141.3 Å²	141.3	92%	0.916	74%	0.737	S	S	*	*			trans	-139.3	128.7	177.1	175.1	-179.2	-8	0	0	106.9
217	G	39.7	Very low	40	Very low	79 Å²	79	146.6 Å²	146.6	81%	0.814	76%	0.763	S	S	*	*			trans	115.3	159.5	178.6	0	0	0	0	0	114.1
218	G	34.9	Very low	39.3	Very low	87 Å²	87	151.6 Å²	151.6	90%	0.897	78%	0.784	S	S	*	*			trans	105.1	108.4	179.4	0	0	0	0	0	113.2
219	A	38.7	Very low	39.2	Very low	91 Å²	91	152.2 Å²	152.2	75%	0.752	79%	0.793	S	S	*	*			trans	-122.5	138.2	175.3	0	0	0	0	0	111.1
220	A	42.9	Very low	38.9	Very low	94 Å²	94	156.8 Å²	156.8	78%	0.777	81%	0.808	S	S	*	*			trans	-150.6	119.8	161.5	0	0	0	0	0	107
221	F	49.3	Very low	38.6	Very low	175 Å²	175	157 Å²	157	77%	0.768	81%	0.814	S	S	*	*				75.4	95.8	62.2	-68.6	-58.2	0	0	0	114.1
222	F	36.2	Very low	38.2	Very low	190 Å²	190	155.4 Å²	155.4	83%	0.833	81%	0.806	S	S	*	*			trans	34.6	115.5	155.5	-51.5	-68.6	0	0	0	121.6
223	V	39.6	Very low	38.2	Very low	152 Å²	152	151.3 Å²	151.3	92%	0.921	81%	0.806	S	S	*	*			trans	-128.9	147.2	130.8	-179.8	0	0	0	0	109
224	R	38.5	Very low	38	Very low	229 Å²	229	151.3 Å²	151.3	86%	0.864	80%	0.801	S	S	*	*			trans	-90.2	152.5	-168.4	-121	172.6	-179.3	164.7	-1.3	113.1
225	K	33.8	Very low	37.9	Very low	185 Å²	185	155.6 Å²	155.6	80%	0.804	82%	0.815	S	S	*	*			trans	33.6	119.8	153.5	-76.4	-176.6	171	-178.2	0	118.8
226	R	36.5	Very low	37.6	Very low	218 Å²	218	154.2 Å²	154.2	82%	0.823	81%	0.808	S	S	*	*				-147	105.5	123.7	-146	168.5	-171.5	153.2	1.9	111.6	F228	R226-F228 HydrophobicContact CG-CE2 4.46Å
227	N	37.5	Very low	37.1	Very low	136 Å²	136	154.3 Å²	154.3	73%	0.727	81%	0.805	S	S	*	*			trans	-78	120.1	173.3	-65.8	8.7	0	0	0	108.8	L229	N227-L229 VanDerWaalsContact C-N 3.35Å; N227-L229 PolarHBondContact O-N 3.47Å
228	F	36.3	Very low	36.9	Very low	188 Å²	188	155.8 Å²	155.8	83%	0.825	80%	0.801	S	S	*	*			trans	-91.7	73.7	163.9	-83.1	-77.4	0	0	0	110.3	R226 K230	R226-F228 HydrophobicContact CG-CE2 4.46Å; F228-K230 PolarHBondContact O-N 2.96Å
229	L	37.2	Very low	37	Very low	139 Å²	139	159.5 Å²	159.5	73%	0.728	80%	0.799	S	S	*	*			trans	-70.4	122.3	158.7	-130.2	80.3	0	0	0	107.4	N227 K231	N227-L229 VanDerWaalsContact C-N 3.35Å; N227-L229 PolarHBondContact O-N 3.47Å; L229-K231 PolarHBondContact O-N 3.43Å
230	K	34.5	Very low	36.7	Very low	212 Å²	212	160.7 Å²	160.7	92%	0.922	80%	0.799	S	S	*	*			trans	-70.1	120.8	164.9	-85.5	-173.6	171.4	-175.7	0	108.7	F228	F228-K230 PolarHBondContact O-N 2.96Å
231	K	33.8	Very low	36.2	Very low	191 Å²	191	164 Å²	164	83%	0.83	80%	0.802	S	S	*	*			trans	-127	165.2	159.8	-88.3	-161.2	170.8	-168.5	0	110.2	L229	L229-K231 PolarHBondContact O-N 3.43Å
232	S	32.3	Very low	35.2	Very low	90 Å²	90	162.4 Å²	162.4	63%	0.629	80%	0.801	S	S	*	*			trans	-76	177.3	-170.9	51.4	0	0	0	0	113.1
233	P	36	Very low	35	Very low	124 Å²	124	160.5 Å²	160.5	81%	0.805	80%	0.798	S	S	*	*				-106.1	154.3	74.8	34	-35.7	0	0	0	112.8
234	L	32.4	Very low	34.6	Very low	137 Å²	137	159.7 Å²	159.7	72%	0.717	79%	0.785	S	S	*	*			cis	65.1	79	18	-162.9	78.5	0	0	0	115.4
235	E	37.4	Very low	34.3	Very low	182 Å²	182	156.4 Å²	156.4	85%	0.85	78%	0.777	S	S	*	*			trans	-128	117.4	132.6	-77.3	-160.9	146.4	0	0	109
236	D	36.2	Very low	34.2	Very low	144 Å²	144	154.6 Å²	154.6	77%	0.77	78%	0.776	S	S	*	*			trans	35.9	142.9	132.7	-57.1	-10.9	0	0	0	123.8
237	K	36.3	Very low	34.1	Very low	197 Å²	197	152.2 Å²	152.2	86%	0.857	77%	0.774	S	S	*	*			trans	-111.1	162.8	171.3	-88.9	-178.9	-179.9	-179.4	0	106.6
238	P	34.5	Very low	34	Very low	110 Å²	110	151.2 Å²	151.2	71%	0.714	78%	0.775	S	S	*	*				-158.4	167.1	50.5	42	-19.6	0	0	0	121.5
239	L	38.1	Very low	33.7	Very low	166 Å²	166	150.2 Å²	150.2	87%	0.869	77%	0.773	S	S	*	*			trans	72.7	141.4	150.3	-73.6	161.8	0	0	0	121.4
240	P	31.4	Very low	33.6	Very low	115 Å²	115	149.9 Å²	149.9	75%	0.747	78%	0.776	S	S	*	*			trans	-117.2	161.1	176.6	42	-32.4	0	0	0	115.3
241	I	32.9	Very low	33.5	Very low	163 Å²	163	145.6 Å²	145.6	84%	0.836	77%	0.768	S	S	*	*			trans	-140	108.9	167.3	-59.6	180	0	0	0	105.1
242	L	28.4	Very low	33.4	Very low	142 Å²	142	145.1 Å²	145.1	74%	0.743	77%	0.769	S	S	*	*				73	108.9	72.2	-173	78.4	0	0	0	114.3
243	L	32.4	Very low	33.5	Very low	150 Å²	150	148.8 Å²	148.8	79%	0.785	78%	0.781	S	S	*	*			trans	164.5	122.4	147	-86.5	157	0	0	0	105.1
244	Q	30.9	Very low	33.3	Very low	135 Å²	135	146.4 Å²	146.4	63%	0.631	77%	0.772	S	S	*	*				56.9	133.8	71.3	-67.1	-167	29.7	0	0	112.4
245	K	31.3	Very low	33.5	Very low	161 Å²	161	147.4 Å²	147.4	70%	0.7	78%	0.777	S	S	*	*			cis	-166.2	176	23.3	-136.1	168.3	-177.4	145.3	0	113.5
246	N	33.2	Very low	33.2	Very low	147 Å²	147	146 Å²	146	79%	0.786	77%	0.771	S	S	*	*			trans	82.7	108.7	156.4	-57.7	-7.9	0	0	0	120.7
247	E	32.9	Very low	33.1	Very low	167 Å²	167	143.3 Å²	143.3	78%	0.78	77%	0.769	S	S	*	*			trans	-74.2	166.9	144.1	-79.7	-83.3	148.2	0	0	110.1	E249	E247-E249 PolarHBondContact OE2-N 3.37Å
248	P	36.6	Very low	32.8	Very low	116 Å²	116	142 Å²	142	75%	0.753	76%	0.763	S	S	*	*				-144.5	128.6	87.5	35.1	-16.7	0	0	0	116.5
249	E	29.4	Very low	32.8	Very low	167 Å²	167	146.4 Å²	146.4	78%	0.78	77%	0.774	S	S	*	*				36.7	125	102.7	-170.4	174.8	-115.1	0	0	119	E247	E247-E249 PolarHBondContact OE2-N 3.37Å
250	V	34.6	Very low	32.6	Very low	131 Å²	131	144.9 Å²	144.9	79%	0.794	77%	0.772	S	S	*	*			trans	-163.9	120.9	137.7	128.4	0	0	0	0	113.1
251	T	33.3	Very low	33	Very low	122 Å²	122	145.1 Å²	145.1	75%	0.748	77%	0.773	S	S	*	*			trans	58.2	120.3	148.7	-45.7	0	0	0	0	121.6
252	E	31.8	Very low	33	Very low	181 Å²	181	146.9 Å²	146.9	85%	0.846	78%	0.775	S	S	*	*			trans	-81.4	160.6	158.2	-57.1	-165.2	152.2	0	0	111.3
253	D	34.1	Very low	33	Very low	167 Å²	167	144.2 Å²	144.2	89%	0.893	77%	0.768	S	S	*	*			trans	-142.8	148.6	147	-130.6	-30.7	0	0	0	111.1
254	A	31.6	Very low	32.9	Very low	75 Å²	75	144.6 Å²	144.6	62%	0.62	77%	0.77	S	S	*	*			trans	-123.1	163.9	-167.3	0	0	0	0	0	112.8
255	L	37.1	Very low	33	Very low	157 Å²	157	145 Å²	145	82%	0.822	78%	0.776	S	S	*	*			trans	169.1	121.2	152.8	-88.8	155.7	0	0	0	106
256	E	30.4	Very low	33.1	Very low	153 Å²	153	143.8 Å²	143.8	72%	0.715	78%	0.781	S	S	*	*				61.1	139.8	87	-73.4	-116.4	116.1	0	0	114.3	K258	E256-K258 IonicContact OE1-NZ 4Å
257	A	33.8	Very low	33	Very low	88 Å²	88	139.8 Å²	139.8	73%	0.727	78%	0.775	S	S	*	*			cis	-143.5	-179.8	12.9	0	0	0	0	0	114.1
258	K	30.8	Very low	33.3	Very low	170 Å²	170	141.4 Å²	141.4	74%	0.739	78%	0.782	S	S	*	*			trans	-79.5	156	-177.1	-51.4	131.9	-176	148	0	112.9	E256	E256-K258 IonicContact OE1-NZ 4Å
259	Q	33.4	Very low	33.2	Very low	201 Å²	201	145.1 Å²	145.1	94%	0.939	79%	0.787	S	S	*	*				-163.6	170.9	118.9	-108.6	168.4	87	0	0	114.1
260	V	34.2	Very low	33.6	Very low	135 Å²	135	142.9 Å²	142.9	82%	0.818	79%	0.79	S	S	*	*			trans	-135.3	145.9	-156	168.7	0	0	0	0	111.4
261	P	39.4	Very low	33.4	Very low	119 Å²	119	143.5 Å²	143.5	77%	0.773	79%	0.789	S	S	*	*			trans	-101	167.9	-161.4	39.4	-38.1	0	0	0	116.8
262	K	34.1	Very low	33.9	Very low	201 Å²	201	145.1 Å²	145.1	87%	0.874	80%	0.798	S	S	*	*			trans	-164.9	158.6	166.9	-94.8	164.7	-175.7	174.1	0	107.6
263	S	28	Very low	33.8	Very low	86 Å²	86	144 Å²	144	60%	0.601	79%	0.793	S	S	*	*			cis	-179.6	156.6	-19.3	53.3	0	0	0	0	110.1
264	L	30.4	Very low	33.8	Very low	157 Å²	157	143.9 Å²	143.9	82%	0.822	79%	0.791	S	S	*	*			trans	70.7	159	168.9	-51.9	167.4	0	0	0	114.2
265	L	32.4	Very low	33.9	Very low	145 Å²	145	146 Å²	146	76%	0.759	79%	0.791	S	S	*	*			cis	-157.3	-174.3	-7.9	-126.9	169.6	0	0	0	109.9
266	V	34	Very low	33.7	Very low	135 Å²	135	145.5 Å²	145.5	82%	0.818	79%	0.789	S	S	*	*			trans	72.4	138.7	170.9	-164.8	0	0	0	0	115.2
267	G	31.2	Very low	33.6	Very low	63 Å²	63	142.9 Å²	142.9	65%	0.649	79%	0.794	S	S	*	*			cis	134.9	138.7	-12.9	0	0	0	0	0	113.8
268	E	39.5	Very low	33.6	Very low	201 Å²	201	150 Å²	150	94%	0.939	80%	0.802	S	S	*	*			trans	-162.2	167.7	164.2	-125.2	167	-162.8	0	0	112.8
269	K	33.6	Very low	33.7	Very low	193 Å²	193	146.1 Å²	146.1	84%	0.839	80%	0.796	S	S	*	*			trans	-135.6	159	-173.1	-61.3	177.3	-178.4	175.3	0	111.6
270	S	38.6	Very low	33.9	Very low	121 Å²	121	145.5 Å²	145.5	85%	0.846	79%	0.793	S	S	*	*			trans	-149.6	145	148.8	46.1	0	0	0	0	110.7
271	N	29.9	Very low	33.6	Very low	144 Å²	144	144 Å²	144	77%	0.77	79%	0.789	S	S	*	*			trans	-110.2	154.1	178	-62.3	-16.6	0	0	0	109.5
272	V	43.1	Very low	33.3	Very low	155 Å²	155	146.1 Å²	146.1	94%	0.939	79%	0.788	S	S	*	*			trans	-137.1	147.3	150.7	-178.3	0	0	0	0	107.5
273	E	29.7	Very low	33.3	Very low	159 Å²	159	145.3 Å²	145.3	74%	0.743	79%	0.787	S	S	*	*			trans	-139.3	140.7	-163	169.3	-180	-166.6	0	0	109.3
274	L	35	Very low	33.5	Very low	164 Å²	164	148.8 Å²	148.8	86%	0.859	79%	0.792	S	S	*	*			trans	160.6	155	158.3	-108.4	116.2	0	0	0	108.5
275	L	33.8	Very low	33.6	Very low	118 Å²	118	149.2 Å²	149.2	62%	0.618	79%	0.794	S	S	*	*				-169.4	165.3	-50.3	-118.1	177.3	0	0	0	107.1
276	D	32	Very low	33.7	Very low	147 Å²	147	145.5 Å²	145.5	79%	0.786	79%	0.791	S	S	*	*			trans	63.6	143.2	159.7	-61.8	-41.8	0	0	0	122.2
277	A	28.8	Very low	33.9	Very low	98 Å²	98	148.9 Å²	148.9	81%	0.81	79%	0.794	S	S	*	*			trans	-145.4	135.2	170	0	0	0	0	0	109.1
278	R	34.3	Very low	33.9	Very low	239 Å²	239	153.1 Å²	153.1	90%	0.902	80%	0.802	S	S	*	*			trans	-154.8	152.9	166.3	-126.8	-177.2	175.2	179.8	-3.5	112.5
279	S	31.8	Very low	33.8	Very low	87 Å²	87	149.3 Å²	149.3	61%	0.608	80%	0.798	S	S	*	*			trans	-0.2	149.2	151.8	57.2	0	0	0	0	118.6
280	E	37.5	Very low	34	Very low	189 Å²	189	146 Å²	146	88%	0.883	80%	0.799	S	S	*	*				-147.1	-169.9	50.8	-79.5	175.8	163.8	0	0	114.9
281	S	28.8	Very low	33.8	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	80%	0.799	S	S	*	*			trans	-137.3	173.5	-165.3	54.6	0	0	0	0	112.9
282	E	32.1	Very low	34	Very low	163 Å²	163	142.3 Å²	142.3	76%	0.762	80%	0.804	S	S	*	*			trans	74.9	153.5	-179.5	-48.2	-152.9	96.8	0	0	112.3
283	E	34.7	Very low	33.3	Very low	183 Å²	183	141.3 Å²	141.3	86%	0.855	80%	0.798	S	S	*	*			cis	-127.3	-171.3	31.5	-138.9	-170.6	141.2	0	0	115.6
284	K	31.8	Very low	33.5	Very low	160 Å²	160	140.8 Å²	140.8	70%	0.696	81%	0.805	S	S	*	*			trans	-113.4	-173.3	-169.7	-70.7	169.8	179.5	147.2	0	112.7
285	L	33.8	Very low	33.1	Very low	166 Å²	166	137.8 Å²	137.8	87%	0.869	80%	0.798	S	S	*	*			trans	74.9	134.1	178.7	-67.1	73.3	0	0	0	115
286	G	32.9	Very low	33	Very low	67 Å²	67	136.8 Å²	136.8	69%	0.691	80%	0.801	S	S	*	*			cis	135.9	123.7	-14.9	0	0	0	0	0	114.7
287	K	38.9	Very low	33	Very low	205 Å²	205	139.1 Å²	139.1	89%	0.891	80%	0.804	S	S	*	*			trans	-170.4	155.1	153.9	-105.7	147.7	-171.6	171.6	0	111.4
288	N	30.3	Very low	32.9	Very low	153 Å²	153	141.1 Å²	141.1	82%	0.818	80%	0.797	S	S	*	*			trans	-113.6	-167.7	-168.1	-62.6	-17.7	0	0	0	112.1
289	S	38.4	Very low	32.6	Very low	121 Å²	121	136 Å²	136	85%	0.846	80%	0.796	S	S	*	*			trans	70.3	99.4	170.4	59.8	0	0	0	0	117.7
290	S	37.3	Very low	32.4	Very low	124 Å²	124	139.9 Å²	139.9	87%	0.867	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75.2	153.7	149.5	44	0	0	0	0	110.6
291	G	35.1	Very low	32	Very low	81 Å²	81	139.7 Å²	139.7	84%	0.835	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.3	168.1	-169	0	0	0	0	0	116.6
292	A	33.4	Very low	32	Very low	106 Å²	106	138 Å²	138	88%	0.876	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-85.4	165.4	-178.5	0	0	0	0	0	114.2
293	V	29.7	Very low	31.9	Very low	134 Å²	134	139.7 Å²	139.7	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-83	133	-176.2	174.9	0	0	0	0	112.6
294	V	33.7	Very low	31.9	Very low	147 Å²	147	139.1 Å²	139.1	89%	0.891	81%	0.806	S	S	*	*			trans	-140	139.1	144.4	-178.5	0	0	0	0	109.1
295	S	25.8	Very low	31.9	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	81%	0.806	S	S	*	*			trans	-126.6	140.1	175.5	169.7	0	0	0	0	110.1
296	S	31.2	Very low	31.6	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	80%	0.804	S	S	*	*			trans	-172.1	133.7	153	-95.4	0	0	0	0	116.6
297	K	32.6	Very low	31.7	Very low	196 Å²	196	141.6 Å²	141.6	85%	0.852	81%	0.81	S	S	*	*			trans	74.4	105.3	135.3	-64.6	171.2	-173.8	177.1	0	120.3
298	E	26	Very low	31.1	Very low	140 Å²	140	137 Å²	137	65%	0.654	80%	0.804	S	S	*	*			trans	-74.1	151.8	155.6	177	-174.3	-175.8	0	0	111.9	K300	E298-K300 WeakPolarHBondContact OE1-CE 3.43Å; E298-K300 IonicContact OE1-NZ 2.69Å; E298-K300 PolarHBondContact OE1-NZ 3.1Å
299	C	27.8	Very low	31.2	Very low	132 Å²	132	136.6 Å²	136.6	89%	0.892	80%	0.798	S	S	*	*			trans	-143.8	146.9	162.6	-87.6	0	0	0	0	111.1
300	K	28	Very low	30.8	Very low	168 Å²	168	139.1 Å²	139.1	73%	0.73	79%	0.793	S	S	*	*			trans	-131.2	136.2	-177.6	-72.1	175.9	170.5	122.2	0	111.6	E298	E298-K300 WeakPolarHBondContact OE1-CE 3.43Å; E298-K300 IonicContact OE1-NZ 2.69Å; E298-K300 PolarHBondContact OE1-NZ 3.1Å
301	L	29.4	Very low	30.3	Very low	185 Å²	185	138.3 Å²	138.3	97%	0.969	79%	0.788	S	S	*	*			trans	-160.9	144.5	162	-142.3	72.5	0	0	0	107.9
302	G	29.7	Very low	30.2	Very low	67 Å²	67	142 Å²	142	69%	0.691	79%	0.787	S	S	*	*			cis	-158.7	-166.8	-4.9	0	0	0	0	0	110.8
303	K	30	Very low	30	Very low	200 Å²	200	144.1 Å²	144.1	87%	0.87	78%	0.779	S	S	*	*			trans	-139.4	170.6	176.7	-90.1	-172.2	175.1	-177.8	0	111.1
304	H	34.3	Very low	29.8	Very low	170 Å²	170	144.1 Å²	144.1	79%	0.787	78%	0.775	S	S	*	*			trans	96.1	139.4	-176.7	-58.8	-63.1	0	0	0	114.5
305	N	31.7	Very low	29.7	Very low	130 Å²	130	146.7 Å²	146.7	70%	0.695	77%	0.774	S	S	*	*			cis	-155.2	172.7	-11	-118.1	3.8	0	0	0	113.6
306	F	27.9	Very low	29.6	Very low	188 Å²	188	148.5 Å²	148.5	83%	0.825	78%	0.781	S	S	*	*			trans	-57	174.8	168	-62.8	-81.9	0	0	0	113.9
307	P	33.7	Very low	29.8	Very low	127 Å²	127	151.3 Å²	151.3	83%	0.825	79%	0.786	S	S	*	*			cis	-136.8	-159.9	25.8	27	0.3	0	0	0	114.2
308	S	27.3	Very low	29.8	Very low	109 Å²	109	147.2 Å²	147.2	76%	0.762	78%	0.782	S	S	*	*			cis	-177.8	-173.2	-43.3	-170.1	0	0	0	0	107
309	E	31.8	Very low	30.1	Very low	145 Å²	145	145.8 Å²	145.8	68%	0.678	79%	0.788	S	S	*	*			trans	73.4	149.2	171.9	-50.9	-153.5	140.3	0	0	117
310	K	30.9	Very low	30.3	Very low	174 Å²	174	148.9 Å²	148.9	76%	0.757	79%	0.789	S	S	*	*			cis	-151.7	173.4	-6.1	-122.1	161.6	-169.4	150.3	0	110.3
311	S	25.4	Very low	30.6	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	79%	0.79	S	S	*	*			trans	-119.4	146.7	-168	54.1	0	0	0	0	115.7
312	L	33.2	Very low	31.3	Very low	157 Å²	157	143.6 Å²	143.6	82%	0.822	78%	0.783	S	S	*	*			trans	-164.8	109.5	158.5	-142.4	62.5	0	0	0	108
313	E	29.3	Very low	31.8	Very low	151 Å²	151	150.5 Å²	150.5	71%	0.706	79%	0.789	S	S	*	*				68.2	105.3	81.2	-70.9	-145.6	102.6	0	0	117.7
314	N	26.9	Very low	32.2	Very low	135 Å²	135	147 Å²	147	72%	0.722	79%	0.79	S	S	*	*				53.8	106	123.7	-55.3	-27.9	0	0	0	121.2
315	K	30.8	Very low	32.7	Very low	201 Å²	201	145.5 Å²	145.5	87%	0.874	79%	0.786	S	S	*	*			trans	-158.2	140.7	132.3	-127.6	168	-173.2	171.2	0	114.6
316	T	24.3	Very low	33.3	Very low	140 Å²	140	148.3 Å²	148.3	86%	0.859	79%	0.793	S	S	*	*			trans	-102.6	136.4	174.4	-51.9	0	0	0	0	109.6
317	I	35.2	Very low	33.8	Very low	156 Å²	156	145 Å²	145	80%	0.8	79%	0.793	S	S	*	*			trans	-134.5	151.8	172.3	-63.7	-175.6	0	0	0	109.8
318	S	32.4	Very low	34.1	Very low	109 Å²	109	145.9 Å²	145.9	76%	0.762	80%	0.796	S	S	*	*			trans	-74.7	171.1	-168.2	-161.8	0	0	0	0	115.3
319	S	31.2	Very low	34.5	Very low	110 Å²	110	146 Å²	146	77%	0.769	80%	0.797	S	S	*	*			trans	-81.4	149.5	174.3	56.1	0	0	0	0	113.8
320	E	33.5	Very low	34.8	Very low	197 Å²	197	145 Å²	145	92%	0.921	81%	0.806	S	S	*	*			trans	-142.6	160.1	164.4	-163.5	157.7	-142.3	0	0	110.7
321	S	33.6	Very low	35.1	Very low	106 Å²	106	143.1 Å²	143.1	74%	0.741	81%	0.809	S	S	*	*			trans	-124.3	139.7	-160.3	56.7	0	0	0	0	114.5
322	V	44.2	Very low	35.8	Very low	136 Å²	136	145.1 Å²	145.1	82%	0.824	81%	0.811	S	S	*	*			trans	-139	108.2	179.2	-173.9	0	0	0	0	111.6
323	Y	40.2	Very low	36.1	Very low	212 Å²	212	142.8 Å²	142.8	83%	0.831	80%	0.804	S	S	*	*			trans	20.5	127.8	159.6	-58.6	-85.4	0	0	0	122.5
324	S	39.2	Very low	36.4	Very low	126 Å²	126	145.3 Å²	145.3	88%	0.881	81%	0.812	S	S	*	*			trans	-83.5	147.9	156.7	-69	0	0	0	0	111.8
325	I	44.8	Very low	36.9	Very low	139 Å²	139	150.8 Å²	150.8	71%	0.713	82%	0.823	S	S	*	*			trans	-110	153.4	172	-58.1	175.1	0	0	0	108.6
326	F	42.9	Very low	37.1	Very low	189 Å²	189	146.3 Å²	146.3	83%	0.829	82%	0.817	S	S	*	*			trans	76.2	80.4	-176.8	-49.7	-68.9	0	0	0	115.8
327	S	38.1	Very low	37.8	Very low	119 Å²	119	146 Å²	146	83%	0.832	82%	0.817	S	S	*	*			trans	-124.6	113.4	146.5	-70.8	0	0	0	0	108
328	V	41.7	Very low	37.9	Very low	145 Å²	145	144.1 Å²	144.1	88%	0.879	82%	0.818	S	S	*	*			trans	-104	107.6	172.8	-90.2	0	0	0	0	108.7
329	S	34.4	Very low	38.1	Very low	113 Å²	113	147.6 Å²	147.6	79%	0.79	82%	0.822	S	S	*	*			trans	-111.1	111.7	173.4	-62	0	0	0	0	109
330	S	39.6	Very low	38.4	Very low	124 Å²	124	151.8 Å²	151.8	87%	0.867	83%	0.83	S	S	*	*			trans	-130.8	109.2	169.6	-67.6	0	0	0	0	109.2
331	T	36.6	Very low	38.6	Very low	134 Å²	134	150.9 Å²	150.9	82%	0.822	83%	0.826	S	S	*	*			trans	-81.1	141.2	177.4	48.9	0	0	0	0	111.3
332	N	39	Very low	38.8	Very low	149 Å²	149	151.1 Å²	151.1	80%	0.797	83%	0.827	S	S	*	*			trans	-154.6	148.5	136	-123.8	-25.1	0	0	0	117.1
333	T	39.5	Very low	38.4	Very low	108 Å²	108	149.8 Å²	149.8	66%	0.663	82%	0.824	S	S	*	*			trans	13.7	117.9	160.7	30	0	0	0	0	123.7
334	K	36.8	Very low	38.5	Very low	203 Å²	203	147.2 Å²	147.2	88%	0.883	83%	0.83	S	S	*	*				26.1	121.2	122.7	-62.5	179.3	177.3	179.1	0	119.5
335	R	36	Very low	38.4	Very low	251 Å²	251	144.9 Å²	144.9	95%	0.947	83%	0.825	S	S	*	*				-156.8	152.7	105.5	-149.6	165.9	-175.9	157.3	-0.2	110.9
336	S	36.3	Very low	38	Very low	107 Å²	107	143.5 Å²	143.5	75%	0.748	83%	0.828	S	S	*	*			trans	-101.8	159.5	179.7	49.7	0	0	0	0	112.1
337	P	37.7	Very low	37.7	Very low	132 Å²	132	140.4 Å²	140.4	86%	0.857	83%	0.825	S	S	*	*			trans	-90.6	170.7	-172	37.5	-37.2	0	0	0	114
338	S	38.3	Very low	37.5	Very low	118 Å²	118	138.8 Å²	138.8	83%	0.825	82%	0.819	S	S	*	*			trans	-136.9	151	162.7	53.9	0	0	0	0	109.5
339	E	36.5	Very low	37.3	Very low	181 Å²	181	138.5 Å²	138.5	85%	0.846	82%	0.822	S	S	*	*			trans	-91.4	158.1	-177.5	-58.8	164.5	112.2	0	0	111.5
340	E	37.6	Very low	37.4	Very low	198 Å²	198	138.5 Å²	138.5	93%	0.925	82%	0.817	S	S	*	*			trans	-165.7	167.9	139.4	-116	169	-167.3	0	0	112.3
341	Q	38.3	Very low	37.3	Very low	179 Å²	179	139.3 Å²	139.3	84%	0.836	81%	0.812	S	S	*	*			trans	-132.5	131.1	-165.7	-57.2	178.2	13.5	0	0	113.8
342	S	38	Very low	37.5	Very low	111 Å²	111	143.4 Å²	143.4	78%	0.776	82%	0.818	S	S	*	*			trans	178.7	138.8	150.1	30.1	0	0	0	0	108.1
343	S	34.6	Very low	37.6	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	82%	0.819	S	S	*	*			cis	94.9	145.9	23.7	86.4	0	0	0	0	115
344	V	42	Very low	37.7	Very low	158 Å²	158	147.9 Å²	147.9	96%	0.958	83%	0.828	S	S	*	*			trans	74.1	150.8	-175.6	-167.3	0	0	0	0	115.4
345	G	37.2	Very low	38.1	Very low	77 Å²	77	147.2 Å²	147.2	79%	0.794	83%	0.828	S	S	*	*			trans	127.3	66.7	165	0	0	0	0	0	117.2
346	S	37.1	Very low	38.2	Very low	110 Å²	110	141.5 Å²	141.5	77%	0.769	82%	0.821	S	S	*	*			trans	-86.8	159.3	-178.2	178.8	0	0	0	0	114.7
347	T	36	Very low	38.2	Very low	125 Å²	125	143.5 Å²	143.5	77%	0.767	82%	0.824	S	S	*	*			trans	102.1	105.4	143.8	-21	0	0	0	0	120
348	A	35.4	Very low	38.4	Very low	84 Å²	84	142.1 Å²	142.1	69%	0.694	81%	0.813	S	S	*	*			trans	28.6	133.4	142.2	0	0	0	0	0	123.4
349	C	37.7	Very low	38.6	Very low	139 Å²	139	144.9 Å²	144.9	94%	0.939	81%	0.812	S	S	*	*			trans	-132.1	139.6	139.3	-82.3	0	0	0	0	108.7
350	T	36	Very low	38.9	Very low	114 Å²	114	144.4 Å²	144.4	70%	0.699	81%	0.808	S	S	*	*			trans	-117.3	149	-174.9	46.8	0	0	0	0	112.6
351	N	37	Very low	38.9	Very low	141 Å²	141	141.3 Å²	141.3	75%	0.754	80%	0.797	S	S	*	*			trans	45.9	110.3	154.4	-55.2	-21.5	0	0	0	118.6
352	F	40	Very low	39.6	Very low	219 Å²	219	139.9 Å²	139.9	96%	0.961	79%	0.794	S	S	*	*			trans	-141.6	137.4	133.9	-91.5	-62.1	0	0	0	114.7
353	L	43	Very low	39.7	Very low	154 Å²	154	141 Å²	141	81%	0.806	79%	0.791	S	S	*	*			trans	-58.4	143.4	-178.9	-146.9	78.3	0	0	0	113.8
354	K	39.7	Very low	40.1	Very low	198 Å²	198	145.4 Å²	145.4	86%	0.861	80%	0.797	S	S	*	*				-178	148.5	116.8	-96.7	155.5	-172.2	176.9	0	113.1
355	Q	45.1	Very low	40	Very low	189 Å²	189	149.2 Å²	149.2	88%	0.883	79%	0.794	S	S	*	*			trans	-82.5	142.3	173.5	-64.4	163.9	-33.6	0	0	110.3
356	T	39	Very low	40.3	Very low	131 Å²	131	151.5 Å²	151.5	80%	0.804	79%	0.789	S	S	*	*			trans	-131.9	121.3	155	45	0	0	0	0	109.1
357	N	35.6	Very low	40.6	Very low	148 Å²	148	151.9 Å²	151.9	79%	0.791	79%	0.786	S	S	*	*			trans	-91.5	111.4	178.2	-177.5	7.5	0	0	0	108.6
358	V	42.1	Very low	40.9	Very low	104 Å²	104	154 Å²	154	63%	0.63	79%	0.793	S	S	*	*			trans	-114.2	81.9	-177.8	-176.1	0	0	0	0	109.8	K360	V358-K360 VanDerWaalsContact C-N 3.27Å; V358-K360 HydrophobicContact CG1-CD 4.38Å; V358-K360 HydrophobicContact CG1-CG 4.08Å; V358-K360 PolarHBondContact O-N 3.15Å
359	Q	43.1	Very low	41.7	Very low	175 Å²	175	158 Å²	158	82%	0.818	79%	0.794	S	S	*	*			trans	-75	74.3	178.1	-170	171.4	-2.4	0	0	111.1	N361	Q359-N361 PolarHBondContact O-N 3.09Å
360	K	42.6	Very low	42.2	Very low	172 Å²	172	154.7 Å²	154.7	75%	0.748	79%	0.785	S	S	*	*			trans	-76.4	92.4	175.4	-91.9	-177.9	176.1	-178.9	0	111.4	V358 I362	V358-K360 VanDerWaalsContact C-N 3.27Å; V358-K360 HydrophobicContact CG1-CD 4.38Å; V358-K360 HydrophobicContact CG1-CG 4.08Å; V358-K360 PolarHBondContact O-N 3.15Å; K360-I362 PolarHBondContact O-N 3.35Å
361	N	37.8	Very low	43	Very low	132 Å²	132	152.8 Å²	152.8	71%	0.706	79%	0.788	S	S	*	*			trans	-62.6	119.5	165.2	-173.2	10.2	0	0	0	109.8	Q359	Q359-N361 PolarHBondContact O-N 3.09Å
362	I	52.6	Low	44.6	Very low	150 Å²	150	155.5 Å²	155.5	77%	0.769	79%	0.792	S	S	*	*			trans	-120.4	120.4	172	-63.6	-178.4	0	0	0	107.4	K360	K360-I362 PolarHBondContact O-N 3.35Å
363	N	41	Very low	46.4	Very low	133 Å²	133	151.5 Å²	151.5	71%	0.711	78%	0.781	S	S	*	*			trans	-72.9	147.7	-164.2	-67.1	-52.7	0	0	0	113.7	R365	N363-R365 PolarHBondContact O-N 2.95Å; N363-R365 VanDerWaalsContact O-N 3.08Å
364	F	41.4	Very low	48.1	Very low	200 Å²	200	150.9 Å²	150.9	88%	0.877	77%	0.774	S	S	*	*	S	Bend	trans	-75.3	89.9	-178.7	-142.5	-90.9	0	0	0	111.5
365	R	40.5	Very low	50.1	Low	238 Å²	238	149.1 Å²	149.1	90%	0.898	77%	0.773	S	S	*	*			trans	-167	86.8	168.9	-111.8	174.8	-169.5	-172.7	3.1	113.2	N363	N363-R365 PolarHBondContact O-N 2.95Å; N363-R365 VanDerWaalsContact O-N 3.08Å
366	D	44.5	Very low	51.6	Low	126 Å²	126	143.9 Å²	143.9	67%	0.674	75%	0.754	S	S	*	*			trans	-168.7	49	141.8	-132.4	26.6	0	0	0	112.5	N368 K369	D366-N368 VanDerWaalsContact C-N 3.32Å; D366-N368 PolarHBondContact O-N 3.2Å; D366-K369 IonicContact OD2-NZ 2.95Å; D366-K369 PolarHBondContact OD2-NZ 3.27Å
367	T	42.5	Very low	53.5	Low	118 Å²	118	143.1 Å²	143.1	72%	0.724	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	83.3	172.7	47.3	0	0	0	0	110.8
368	N	42.7	Very low	55.7	Low	168 Å²	168	140.2 Å²	140.2	90%	0.898	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-179.5	39.4	153	-94.2	-34.1	0	0	0	115.6	D366	D366-N368 VanDerWaalsContact C-N 3.32Å; D366-N368 PolarHBondContact O-N 3.2Å
369	K	52.8	Low	57.6	Low	168 Å²	168	139.5 Å²	139.5	73%	0.73	73%	0.733	S	S	*	*	S	Bend	trans	-113.6	115.4	162	-74.7	167	-172	136.2	0	109	D366 G371	D366-K369 IonicContact OD2-NZ 2.95Å; D366-K369 PolarHBondContact OD2-NZ 3.27Å; K369-G371 PolarHBondContact O-N 3.44Å
370	G	47	Very low	59.4	Low	71 Å²	71	134.5 Å²	134.5	73%	0.732	73%	0.729	S	S	*	*			trans	-60.9	123.5	-177.4	0	0	0	0	0	111.1	K372	G370-K372 PolarHBondContact O-N 3.16Å
371	G	52.3	Low	61.3	Low	74 Å²	74	130.4 Å²	130.4	76%	0.763	71%	0.712	S	S	*	*			trans	-51.1	116.1	-165.5	0	0	0	0	0	113.9	K369	K369-G371 PolarHBondContact O-N 3.44Å
372	K	71	Confident	63.2	Low	197 Å²	197	133.7 Å²	133.7	86%	0.857	72%	0.72	S	S	*	*			trans	-112.8	11.9	168.9	-71.3	-176	175.7	-176.1	0	111.7	G370 Q374	G370-K372 PolarHBondContact O-N 3.16Å; K372-Q374 PolarHBondContact O-N 2.78Å
373	D	77.7	Confident	64.2	Low	135 Å²	135	132.6 Å²	132.6	72%	0.722	71%	0.711	S	S	*	*			trans	-76.6	99.7	-171.9	-53.7	-20.2	0	0	0	108.4	L375	D373-L375 VanDerWaalsContact C-N 3.31Å; D373-L375 HydrophobicContact CB-CD2 4.42Å; D373-L375 PolarHBondContact O-N 2.78Å
374	Q	79.9	Confident	65.8	Low	141 Å²	141	130 Å²	130	66%	0.659	69%	0.694	S	S	*	*			trans	-72.8	87.3	177.3	-177.7	176	-14.4	0	0	109.4	K372 V376	K372-Q374 PolarHBondContact O-N 2.78Å; Q374-V376 VanDerWaalsContact CG-O 3.25Å; Q374-V376 WeakPolarHBondContact CG-O 3.49Å; Q374-V376 PolarHBondContact NE2-O 2.74Å; Q374-V376 PolarHBondContact O-N 3.08Å; Q374-V376 VanDerWaalsContact O-N 3.12Å
375	L	80.8	Confident	67.8	Low	161 Å²	161	121.6 Å²	121.6	84%	0.843	66%	0.664	S	S	*	*			trans	-64.1	-12.8	178.9	-57.3	-178.5	0	0	0	113.9	D373	D373-L375 VanDerWaalsContact C-N 3.31Å; D373-L375 HydrophobicContact CB-CD2 4.42Å; D373-L375 PolarHBondContact O-N 2.78Å
376	V	77.5	Confident	70.1	Confident	80 Å²	80	115.5 Å²	115.5	49%	0.485	65%	0.653	S	S	.	*			trans	-133	109.3	-173.3	-178.1	0	0	0	0	110	Q374 F384	Q374-V376 VanDerWaalsContact CG-O 3.25Å; Q374-V376 WeakPolarHBondContact CG-O 3.49Å; Q374-V376 PolarHBondContact NE2-O 2.74Å; Q374-V376 PolarHBondContact O-N 3.08Å; Q374-V376 VanDerWaalsContact O-N 3.12Å; V376-F384 HydrophobicContact CG1-CE2 3.53Å; V376-F384 HydrophobicContact CG1-CZ 3.74Å
377	I	78.7	Confident	72.4	Confident	114 Å²	114	111.4 Å²	111.4	59%	0.585	63%	0.633	S	S	*	*			trans	-106.9	129.7	179.9	-60.3	171	0	0	0	109	A379 Q381	I377-A379 PolarHBondContact O-N 2.98Å; I377-Q381 PolarHBondContact O-NE2 2.76Å; I377-Q381 VanDerWaalsContact O-NE2 3.08Å
378	D	80.9	Confident	74.8	Confident	88 Å²	88	110.7 Å²	110.7	47%	0.471	62%	0.623	S	S	.	*			trans	-78.5	108.8	168	-165.3	-7.1	0	0	0	109.5	G380 Q381 F384	D378-G380 WeakPolarHBondContact OD1-CA 3.44Å; D378-G380 PolarHBondContact OD1-N 3.44Å; D378-Q381 PolarHBondContact OD1-N 3.13Å; D378-F384 VanDerWaalsContact CA-CE2 3.45Å; D378-F384 HydrophobicContact CB-CD1 3.93Å; D378-F384 HydrophobicContact CB-CD2 3.78Å; D378-F384 HydrophobicContact CB-CE1 3.81Å; D378-F384 HydrophobicContact CB-CE2 3.64Å; D378-F384 HydrophobicContact CB-CG 3.92Å; D378-F384 HydrophobicContact CB-CZ 3.66Å
379	A	82.5	Confident	77.2	Confident	88 Å²	88	103.3 Å²	103.3	73%	0.727	58%	0.584	S	S	*	*	S	Bend	trans	-105.4	26.8	176.1	0	0	0	0	0	111.6	I377	I377-A379 PolarHBondContact O-N 2.98Å
380	G	81.1	Confident	79.1	Confident	70 Å²	70	104.8 Å²	104.8	72%	0.722	59%	0.59	S	S	*	*	S	Bend	trans	80.2	33.5	-171.6	0	0	0	0	0	112.5	D378 K382	D378-G380 WeakPolarHBondContact OD1-CA 3.44Å; D378-G380 PolarHBondContact OD1-N 3.44Å; G380-K382 PolarHBondContact O-N 2.95Å
381	Q	82.6	Confident	81.2	Confident	87 Å²	87	103.2 Å²	103.2	41%	0.407	57%	0.568	S	S	.	*			trans	-71.5	130	-177.2	-55.3	-173.6	30.6	0	0	110.2	I377 D378 H383 F384	I377-Q381 PolarHBondContact O-NE2 2.76Å; I377-Q381 VanDerWaalsContact O-NE2 3.08Å; D378-Q381 PolarHBondContact OD1-N 3.13Å; Q381-H383 PolarHBondContact O-N 3.03Å; Q381-F384 HydrophobicContact CB-CB 4.31Å; Q381-F384 HydrophobicContact CB-CD2 4.44Å; Q381-F384 HydrophobicContact CG-CD2 4.49Å; Q381-F384 PolarHBondContact O-N 2.86Å
382	K	78.4	Confident	83.1	Confident	201 Å²	201	99.9 Å²	99.9	87%	0.874	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.6	-177.6	-70	-177.9	179.8	175	0	114.1	G380	G380-K382 PolarHBondContact O-N 2.95Å
383	H	73.1	Confident	84.1	Confident	126 Å²	126	90.7 Å²	90.7	58%	0.583	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	51.6	-176.6	-61.4	-29.2	0	0	0	111.4	Q381 A398	Q381-H383 PolarHBondContact O-N 3.03Å; H383-A398 HydrophobicContact CB-CB 4Å
384	F	73.7	Confident	84.8	Confident	79 Å²	79	86 Å²	86	35%	0.346	47%	0.468	S	S	.	.			trans	-71.3	135.1	174.7	-164.5	-102.1	0	0	0	112.4	V376 D378 Q381	V376-F384 HydrophobicContact CG1-CE2 3.53Å; V376-F384 HydrophobicContact CG1-CZ 3.74Å; D378-F384 VanDerWaalsContact CA-CE2 3.45Å; D378-F384 HydrophobicContact CB-CD1 3.93Å; D378-F384 HydrophobicContact CB-CD2 3.78Å; D378-F384 HydrophobicContact CB-CE1 3.81Å; D378-F384 HydrophobicContact CB-CE2 3.64Å; D378-F384 HydrophobicContact CB-CG 3.92Å; D378-F384 HydrophobicContact CB-CZ 3.66Å; Q381-F384 HydrophobicContact CB-CB 4.31Å; Q381-F384 HydrophobicContact CB-CD2 4.44Å; Q381-F384 HydrophobicContact CG-CD2 4.49Å; Q381-F384 PolarHBondContact O-N 2.86Å
385	G	83.5	Confident	85.4	Confident	23 Å²	23	84.3 Å²	84.3	24%	0.237	46%	0.462	C	S	.	.	S	Bend	trans	80.3	-167.2	172.5	0	0	0	0	0	116	T387	G385-T387 PolarHBondContact O-N 3.35Å
386	T	89.7	Confident	86	Confident	110 Å²	110	78.1 Å²	78.1	68%	0.675	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	122.1	-174.3	56.4	0	0	0	0	112
387	T	91.7	Very high	86.7	Confident	40 Å²	40	76.1 Å²	76.1	25%	0.245	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	162.3	175.3	74.2	0	0	0	0	111.1	G385 I395 Y396 A398	G385-T387 PolarHBondContact O-N 3.35Å; T387-I395 CarbonylContact O-C 3.59Å; T387-I395 VanDerWaalsContact O-CA 3.26Å; T387-I395 WeakPolarHBondContact O-CA 3.1Å; T387-I395 WeakPolarHBondContact O-CG2 3.5Å; T387-Y396 PolarHBondContact N-O 3.36Å; T387-Y396 PolarHBondContact O-N 3.49Å; T387-Y396 VanDerWaalsContact OG1-CE1 3.3Å; T387-Y396 WeakPolarHBondContact OG1-CE1 3.46Å; T387-Y396 PolarHBondContact OG1-O 3.45Å; T387-A398 HydrophobicContact CG2-CB 3.6Å
388	M	92.6	Very high	87.3	Confident	104 Å²	104	71.8 Å²	71.8	51%	0.512	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.2	171.7	-175.2	-172.4	-70.5	0	0	110.3	K390 M394 I395 L537	M388-K390 PolarHBondContact O-N 2.9Å; M388-M394 WeakPolarHBondContact CA-O 3.48Å; M388-I395 HydrophobicContact CB-CG1 4.32Å; M388-I395 HydrophobicContact CE-CD1 3.84Å; M388-I395 HydrophobicContact CE-CG1 3.78Å; M388-I395 HydrophobicContact CG-CG1 4.16Å; M388-L537 HydrophobicContact SD-CD2 3.87Å
389	C	93.7	Very high	87.5	Confident	12 Å²	12	69.7 Å²	69.7	8%	0.081	39%	0.39	C	S	.	.			trans	-70.2	121.1	177.4	-177	0	0	0	0	111.6	S391 C392 G393 M394 Y396 H407 H411	C389-S391 PolarHBondContact O-N 2.96Å; C389-S391 PolarHBondContact SG-OG 3.36Å; C389-S391 VanDerWaalsContact SG-OG 3.38Å; C389-C392 VanDerWaalsContact CB-SG 3.53Å; C389-G393 VanDerWaalsContact O-CA 3.3Å; C389-G393 WeakPolarHBondContact O-CA 3.5Å; C389-G393 PolarHBondContact O-N 3.08Å; C389-M394 PolarHBondContact N-O 3.09Å; C389-Y396 HydrophobicContact CB-CE1 4.1Å; C389-H407 WeakPolarHBondContact CB-NE2 3.25Å; C389-H407 PolarHBondContact SG-NE2 3.23Å; C389-H411 PolarHBondContact SG-CE1 3.43Å; C389-H411 PolarHBondContact SG-ND1 3.08Å; C389-H411 VanDerWaalsContact SG-ND1 3.4Å
390	K	92.3	Very high	87.8	Confident	200 Å²	200	68.1 Å²	68.1	87%	0.87	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.8	-176.2	-62	177.4	-176.4	173.3	0	114.4	M388 L537	M388-K390 PolarHBondContact O-N 2.9Å; K390-L537 WeakPolarHBondContact O-CD1 3.35Å
391	S	91.9	Very high	88.3	Confident	38 Å²	38	68.2 Å²	68.2	27%	0.266	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-34.7	-178	44.4	0	0	0	0	114.6	C389 H411 F535	C389-S391 PolarHBondContact O-N 2.96Å; C389-S391 PolarHBondContact SG-OG 3.36Å; C389-S391 VanDerWaalsContact SG-OG 3.38Å; S391-H411 PolarHBondContact OG-CE1 3.19Å; S391-H411 PolarHBondContact OG-NE2 2.67Å; S391-F535 WeakPolarHBondContact O-CZ 3.45Å
392	C	92	Very high	88.8	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.02	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-7.5	176.4	74.8	0	0	0	0	114.5	C389 M394 H411 F414	C389-C392 VanDerWaalsContact CB-SG 3.53Å; C392-M394 PolarHBondContact O-N 3.3Å; C392-M394 VanDerWaalsContact O-N 3.16Å; C392-H411 HydrophobicContact CB-CB 4.47Å; C392-F414 HydrophobicContact CB-CB 4.35Å; C392-F414 HydrophobicContact CB-CD1 3.67Å; C392-F414 HydrophobicContact CB-CE1 4.39Å; C392-F414 HydrophobicContact CB-CG 4.21Å
393	G	91.2	Very high	89.5	Confident	4 Å²	4	61.8 Å²	61.8	4%	0.041	33%	0.331	C	S	.	.			trans	69.1	7.4	176.3	0	0	0	0	0	115.7	C389	C389-G393 VanDerWaalsContact O-CA 3.3Å; C389-G393 WeakPolarHBondContact O-CA 3.5Å; C389-G393 PolarHBondContact O-N 3.08Å
394	M	92.2	Very high	90.4	Very high	38 Å²	38	60 Å²	60	19%	0.187	32%	0.323	C	S	.	.			trans	-69.9	141.7	171.5	-176.7	169	173.6	0	0	110.6	M388 C389 C392 Q406 H407 H410	M388-M394 WeakPolarHBondContact CA-O 3.48Å; C389-M394 PolarHBondContact N-O 3.09Å; C392-M394 PolarHBondContact O-N 3.3Å; C392-M394 VanDerWaalsContact O-N 3.16Å; M394-Q406 HydrophobicContact CE-CB 4.41Å; M394-H407 HydrophobicContact CE-CB 4.35Å; M394-H407 HydrophobicContact SD-CB 4.16Å; M394-H410 HydrophobicContact SD-CB 3.7Å
395	I	93.2	Very high	91.4	Very high	104 Å²	104	60.8 Å²	60.8	53%	0.533	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.5	169.6	-58.6	171.9	0	0	0	106.8	T387 M388	T387-I395 CarbonylContact O-C 3.59Å; T387-I395 VanDerWaalsContact O-CA 3.26Å; T387-I395 WeakPolarHBondContact O-CA 3.1Å; T387-I395 WeakPolarHBondContact O-CG2 3.5Å; M388-I395 HydrophobicContact CB-CG1 4.32Å; M388-I395 HydrophobicContact CE-CD1 3.84Å; M388-I395 HydrophobicContact CE-CG1 3.78Å; M388-I395 HydrophobicContact CG-CG1 4.16Å
396	Y	93.8	Very high	91.9	Very high	32 Å²	32	64.8 Å²	64.8	13%	0.125	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	154	-176.5	74.1	-74.8	0	0	0	110.8	T387 C389 A398 H407	T387-Y396 PolarHBondContact N-O 3.36Å; T387-Y396 PolarHBondContact O-N 3.49Å; T387-Y396 VanDerWaalsContact OG1-CE1 3.3Å; T387-Y396 WeakPolarHBondContact OG1-CE1 3.46Å; T387-Y396 PolarHBondContact OG1-O 3.45Å; C389-Y396 HydrophobicContact CB-CE1 4.1Å; Y396-A398 HydrophobicContact CE2-CB 4.05Å; Y396-A398 PolarHBondContact O-N 2.83Å; Y396-H407 HydrophobicContact CD1-CB 4.05Å; Y396-H407 AromaticContact CD1-CD2 3.89Å; Y396-H407 AromaticContact CD1-CG 3.79Å; Y396-H407 HydrophobicContact CD2-CB 3.74Å; Y396-H407 HydrophobicContact CE1-CB 4.39Å; Y396-H407 AromaticContact CE1-CD2 3.78Å; Y396-H407 AromaticContact CE1-CE1 3.88Å; Y396-H407 AromaticContact CE1-CG 3.71Å; Y396-H407 AromaticContact CE1-ND1 3.78Å; Y396-H407 AromaticContact CE1-NE2 3.91Å; Y396-H407 HydrophobicContact CE2-CB 4.09Å; Y396-H407 AromaticContact CE2-CG 3.93Å; Y396-H407 AromaticContact CE2-ND1 3.7Å; Y396-H407 HydrophobicContact CG-CB 3.72Å; Y396-H407 AromaticContact CG-CG 3.96Å; Y396-H407 AromaticContact CZ-CE1 3.74Å; Y396-H407 AromaticContact CZ-CG 3.78Å; Y396-H407 AromaticContact CZ-ND1 3.45Å
397	T	92.8	Very high	92.2	Very high	38 Å²	38	60.1 Å²	60.1	23%	0.233	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	102.8	-176.4	-41.5	0	0	0	0	109.7	S399 N400 D403	T397-S399 PolarHBondContact O-N 2.88Å; T397-S399 VanDerWaalsContact O-N 3.1Å; T397-N400 HydrophobicContact CG2-CB 4.4Å; T397-N400 PolarHBondContact O-N 3.28Å; T397-D403 WeakPolarHBondContact CA-OD2 3.39Å; T397-D403 WeakPolarHBondContact CB-OD2 3.24Å; T397-D403 PolarHBondContact N-OD2 3Å; T397-D403 PolarHBondContact OG1-OD2 2.96Å
398	A	89.8	Confident	92.3	Very high	22 Å²	22	63.1 Å²	63.1	18%	0.182	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-3.7	-174.3	0	0	0	0	0	114.4	H383 T387 Y396	H383-A398 HydrophobicContact CB-CB 4Å; T387-A398 HydrophobicContact CG2-CB 3.6Å; Y396-A398 HydrophobicContact CE2-CB 4.05Å; Y396-A398 PolarHBondContact O-N 2.83Å
399	S	86.6	Confident	92.4	Very high	45 Å²	45	64.5 Å²	64.5	32%	0.315	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	2.1	169.2	67.7	0	0	0	0	113.6	T397	T397-S399 PolarHBondContact O-N 2.88Å; T397-S399 VanDerWaalsContact O-N 3.1Å
400	N	88.8	Confident	92.3	Very high	54 Å²	54	67.6 Å²	67.6	29%	0.289	35%	0.346	S	S	.	.			trans	-117.1	125.5	178.3	173.2	-83.1	0	0	0	109.9	T397 E402 D403 E404	T397-N400 HydrophobicContact CG2-CB 4.4Å; T397-N400 PolarHBondContact O-N 3.28Å; N400-E402 VanDerWaalsContact CG-OE2 3.31Å; N400-E402 PolarHBondContact ND2-OE2 3.39Å; N400-E402 WeakPolarHBondContact OD1-CA 3.26Å; N400-E402 WeakPolarHBondContact OD1-CB 3.3Å; N400-E402 PolarHBondContact OD1-N 3.16Å; N400-E402 VanDerWaalsContact OD1-N 3.08Å; N400-E402 PolarHBondContact OD1-OE2 3.4Å; N400-D403 HydrophobicContact CB-CB 4.14Å; N400-D403 WeakPolarHBondContact OD1-CB 3.42Å; N400-D403 PolarHBondContact OD1-N 2.91Å; N400-E404 PolarHBondContact O-N 3Å; N400-E404 VanDerWaalsContact O-N 3.13Å
401	P	90.2	Very high	92.4	Very high	73 Å²	73	60 Å²	60	47%	0.474	31%	0.313	S	S	.	.	H	α-helix	trans	-74.4	-28.2	-174.2	29.2	-33.4	0	0	0	113.1	E404 I405	P401-E404 PolarHBondContact O-N 3.19Å; P401-I405 WeakPolarHBondContact O-CB 3.34Å; P401-I405 WeakPolarHBondContact O-CD1 3.3Å; P401-I405 VanDerWaalsContact O-CG1 3.25Å; P401-I405 WeakPolarHBondContact O-CG1 3.25Å; P401-I405 PolarHBondContact O-N 3.38Å
402	E	93.1	Very high	92.5	Very high	108 Å²	108	64.9 Å²	64.9	51%	0.505	33%	0.331	S	S	.	.	H	α-helix	trans	-66.6	-43.5	175.1	-62.2	73.3	-148.9	0	0	111.6	N400 I405 Q406	N400-E402 VanDerWaalsContact CG-OE2 3.31Å; N400-E402 PolarHBondContact ND2-OE2 3.39Å; N400-E402 WeakPolarHBondContact OD1-CA 3.26Å; N400-E402 WeakPolarHBondContact OD1-CB 3.3Å; N400-E402 PolarHBondContact OD1-N 3.16Å; N400-E402 VanDerWaalsContact OD1-N 3.08Å; N400-E402 PolarHBondContact OD1-OE2 3.4Å; E402-I405 PolarHBondContact O-N 3.23Å; E402-Q406 WeakPolarHBondContact O-CB 3.3Å; E402-Q406 VanDerWaalsContact O-CG 3.3Å; E402-Q406 WeakPolarHBondContact O-CG 3.44Å; E402-Q406 PolarHBondContact O-N 3.38Å
403	D	93.9	Very high	92.5	Very high	44 Å²	44	70.7 Å²	70.7	24%	0.235	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-40.6	173.5	-96.5	19.8	0	0	0	111.3	T397 N400 H407	T397-D403 WeakPolarHBondContact CA-OD2 3.39Å; T397-D403 WeakPolarHBondContact CB-OD2 3.24Å; T397-D403 PolarHBondContact N-OD2 3Å; T397-D403 PolarHBondContact OG1-OD2 2.96Å; N400-D403 HydrophobicContact CB-CB 4.14Å; N400-D403 WeakPolarHBondContact OD1-CB 3.42Å; N400-D403 PolarHBondContact OD1-N 2.91Å; D403-H407 VanDerWaalsContact O-CB 3.24Å; D403-H407 WeakPolarHBondContact O-CB 3.45Å; D403-H407 PolarHBondContact O-N 3.29Å
404	E	92.2	Very high	92.6	Very high	89 Å²	89	70.9 Å²	70.9	42%	0.416	35%	0.352	S	S	.	.	H	α-helix	trans	-68.2	-41.9	177.3	-174.9	166	-138.5	0	0	112	N400 P401 H407 L408	N400-E404 PolarHBondContact O-N 3Å; N400-E404 VanDerWaalsContact O-N 3.13Å; P401-E404 PolarHBondContact O-N 3.19Å; E404-H407 WeakPolarHBondContact O-CB 3.44Å; E404-H407 PolarHBondContact O-N 2.84Å; E404-L408 HydrophobicContact CG-CD1 4.35Å; E404-L408 WeakPolarHBondContact O-CG 3.49Å; E404-L408 PolarHBondContact O-N 3.08Å
405	I	94.6	Very high	92.6	Very high	96 Å²	96	71.5 Å²	71.5	49%	0.492	36%	0.356	S	S	.	.	H	α-helix	trans	-63.2	-45.2	175.1	-69.6	165.2	0	0	0	110.7	P401 E402 H407 L408 Q409	P401-I405 WeakPolarHBondContact O-CB 3.34Å; P401-I405 WeakPolarHBondContact O-CD1 3.3Å; P401-I405 VanDerWaalsContact O-CG1 3.25Å; P401-I405 WeakPolarHBondContact O-CG1 3.25Å; P401-I405 PolarHBondContact O-N 3.38Å; E402-I405 PolarHBondContact O-N 3.23Å; I405-H407 VanDerWaalsContact C-N 3.34Å; I405-H407 PolarHBondContact O-N 3.45Å; I405-L408 PolarHBondContact O-N 2.97Å; I405-Q409 WeakPolarHBondContact O-CG 3.34Å; I405-Q409 PolarHBondContact O-N 3.45Å; I405-Q409 VanDerWaalsContact O-N 3.08Å
406	Q	94.3	Very high	92.6	Very high	106 Å²	106	71 Å²	71	50%	0.495	35%	0.352	S	S	.	.	H	α-helix	trans	-61	-42.8	174.3	-74.8	177.8	56.8	0	0	111.7	M394 E402 Q409 H410	M394-Q406 HydrophobicContact CE-CB 4.41Å; E402-Q406 WeakPolarHBondContact O-CB 3.3Å; E402-Q406 VanDerWaalsContact O-CG 3.3Å; E402-Q406 WeakPolarHBondContact O-CG 3.44Å; E402-Q406 PolarHBondContact O-N 3.38Å; Q406-Q409 PolarHBondContact O-N 3.38Å; Q406-H410 WeakPolarHBondContact O-CB 3.45Å; Q406-H410 PolarHBondContact O-N 3.43Å
407	H	94.7	Very high	92.5	Very high	12 Å²	12	70 Å²	70	6%	0.056	35%	0.35	C	S	.	.	H	α-helix	trans	-58.6	-48.2	174.5	162.5	-113.6	0	0	0	111.5	C389 M394 Y396 D403 E404 I405 Q409 H410 H411	C389-H407 WeakPolarHBondContact CB-NE2 3.25Å; C389-H407 PolarHBondContact SG-NE2 3.23Å; M394-H407 HydrophobicContact CE-CB 4.35Å; M394-H407 HydrophobicContact SD-CB 4.16Å; Y396-H407 HydrophobicContact CD1-CB 4.05Å; Y396-H407 AromaticContact CD1-CD2 3.89Å; Y396-H407 AromaticContact CD1-CG 3.79Å; Y396-H407 HydrophobicContact CD2-CB 3.74Å; Y396-H407 HydrophobicContact CE1-CB 4.39Å; Y396-H407 AromaticContact CE1-CD2 3.78Å; Y396-H407 AromaticContact CE1-CE1 3.88Å; Y396-H407 AromaticContact CE1-CG 3.71Å; Y396-H407 AromaticContact CE1-ND1 3.78Å; Y396-H407 AromaticContact CE1-NE2 3.91Å; Y396-H407 HydrophobicContact CE2-CB 4.09Å; Y396-H407 AromaticContact CE2-CG 3.93Å; Y396-H407 AromaticContact CE2-ND1 3.7Å; Y396-H407 HydrophobicContact CG-CB 3.72Å; Y396-H407 AromaticContact CG-CG 3.96Å; Y396-H407 AromaticContact CZ-CE1 3.74Å; Y396-H407 AromaticContact CZ-CG 3.78Å; Y396-H407 AromaticContact CZ-ND1 3.45Å; D403-H407 VanDerWaalsContact O-CB 3.24Å; D403-H407 WeakPolarHBondContact O-CB 3.45Å; D403-H407 PolarHBondContact O-N 3.29Å; E404-H407 WeakPolarHBondContact O-CB 3.44Å; E404-H407 PolarHBondContact O-N 2.84Å; I405-H407 VanDerWaalsContact C-N 3.34Å; I405-H407 PolarHBondContact O-N 3.45Å; H407-Q409 PolarHBondContact O-N 2.95Å; H407-H410 PolarHBondContact O-N 3.4Å; H407-H411 AromaticContact CD2-ND1 3.96Å; H407-H411 AromaticContact CE1-ND1 3.52Å; H407-H411 AromaticContact NE2-CE1 3.93Å; H407-H411 AromaticContact NE2-CG 3.89Å; H407-H411 AromaticContact NE2-ND1 2.96Å; H407-H411 PolarHBondContact NE2-ND1 3.19Å; H407-H411 WeakPolarHBondContact O-CB 3.17Å; H407-H411 PolarHBondContact O-N 3.43Å
408	L	95.1	Very high	92.6	Very high	103 Å²	103	68.2 Å²	68.2	54%	0.539	34%	0.34	S	S	.	.	H	α-helix	trans	-60.3	-43.2	179.4	-71.8	169.5	0	0	0	112.3	E404 I405 H411 H412	E404-L408 HydrophobicContact CG-CD1 4.35Å; E404-L408 WeakPolarHBondContact O-CG 3.49Å; E404-L408 PolarHBondContact O-N 3.08Å; I405-L408 PolarHBondContact O-N 2.97Å; L408-H411 PolarHBondContact O-N 2.9Å; L408-H412 PolarHBondContact O-N 3.49Å
409	Q	93.9	Very high	92.9	Very high	134 Å²	134	71.5 Å²	71.5	63%	0.626	35%	0.35	S	S	*	.	H	α-helix	trans	-62.9	-50.5	176.5	-68.8	176.9	12	0	0	112	I405 Q406 H407 H411 H412 R413	I405-Q409 WeakPolarHBondContact O-CG 3.34Å; I405-Q409 PolarHBondContact O-N 3.45Å; I405-Q409 VanDerWaalsContact O-N 3.08Å; Q406-Q409 PolarHBondContact O-N 3.38Å; H407-Q409 PolarHBondContact O-N 2.95Å; Q409-H411 VanDerWaalsContact C-N 3.35Å; Q409-H411 PolarHBondContact O-N 3.2Å; Q409-H412 PolarHBondContact O-N 3.49Å; Q409-R413 PolarHBondContact O-N 3.47Å
410	H	92.2	Very high	93.3	Very high	77 Å²	77	69.6 Å²	69.6	36%	0.356	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-43.3	176	171	-88.1	0	0	0	111.7	M394 Q406 H407 H412 R413 F414	M394-H410 HydrophobicContact SD-CB 3.7Å; Q406-H410 WeakPolarHBondContact O-CB 3.45Å; Q406-H410 PolarHBondContact O-N 3.43Å; H407-H410 PolarHBondContact O-N 3.4Å; H410-H412 PolarHBondContact O-N 3.07Å; H410-R413 PolarHBondContact O-N 3.44Å; H410-F414 WeakPolarHBondContact O-CB 3.29Å; H410-F414 PolarHBondContact O-N 2.77Å
411	H	94.5	Very high	93.4	Very high	40 Å²	40	72.4 Å²	72.4	19%	0.185	35%	0.354	C	S	.	.	H	α-helix	trans	-61.1	-45	-178.1	-166.5	132.7	0	0	0	111.8	C389 S391 C392 H407 L408 Q409 L415	C389-H411 PolarHBondContact SG-CE1 3.43Å; C389-H411 PolarHBondContact SG-ND1 3.08Å; C389-H411 VanDerWaalsContact SG-ND1 3.4Å; S391-H411 PolarHBondContact OG-CE1 3.19Å; S391-H411 PolarHBondContact OG-NE2 2.67Å; C392-H411 HydrophobicContact CB-CB 4.47Å; H407-H411 AromaticContact CD2-ND1 3.96Å; H407-H411 AromaticContact CE1-ND1 3.52Å; H407-H411 AromaticContact NE2-CE1 3.93Å; H407-H411 AromaticContact NE2-CG 3.89Å; H407-H411 AromaticContact NE2-ND1 2.96Å; H407-H411 PolarHBondContact NE2-ND1 3.19Å; H407-H411 WeakPolarHBondContact O-CB 3.17Å; H407-H411 PolarHBondContact O-N 3.43Å; L408-H411 PolarHBondContact O-N 2.9Å; Q409-H411 VanDerWaalsContact C-N 3.35Å; Q409-H411 PolarHBondContact O-N 3.2Å; H411-L415 VanDerWaalsContact CD2-CD1 3.45Å; H411-L415 WeakPolarHBondContact CD2-CD1 3.19Å; H411-L415 WeakPolarHBondContact NE2-CD1 2.94Å; H411-L415 WeakPolarHBondContact O-CB 3.42Å; H411-L415 WeakPolarHBondContact O-CG 3.49Å; H411-L415 PolarHBondContact O-N 3.26Å
412	H	94.3	Very high	93.5	Very high	140 Å²	140	70.4 Å²	70.4	65%	0.648	35%	0.348	S	S	*	.	H	α-helix	trans	-64.7	-50.5	177.7	-178.4	-138.2	0	0	0	111.6	L408 Q409 H410 F414 L415 E416	L408-H412 PolarHBondContact O-N 3.49Å; Q409-H412 PolarHBondContact O-N 3.49Å; H410-H412 PolarHBondContact O-N 3.07Å; H412-F414 VanDerWaalsContact C-N 3.34Å; H412-F414 PolarHBondContact O-N 3.42Å; H412-L415 PolarHBondContact O-N 2.69Å; H412-E416 PolarHBondContact O-N 3.46Å; H412-E416 VanDerWaalsContact O-N 3.14Å
413	R	92	Very high	93.4	Very high	126 Å²	126	67.6 Å²	67.6	48%	0.475	33%	0.332	S	S	.	.	H	α-helix	trans	-57.9	-46	177.3	-170.7	-176	-170.1	158.9	9.4	111.6	Q409 H410 G417 E457 L458	Q409-R413 PolarHBondContact O-N 3.47Å; H410-R413 PolarHBondContact O-N 3.44Å; R413-G417 PolarHBondContact O-N 2.82Å; R413-E457 IonicContact CZ-OE1 3.6Å; R413-E457 IonicContact CZ-OE2 2.6Å; R413-E457 IonicContact NE-OE2 3.55Å; R413-E457 PolarHBondContact NE-OE2 2.68Å; R413-E457 IonicContact NH2-OE1 2.72Å; R413-E457 PolarHBondContact NH2-OE1 3.07Å; R413-E457 IonicContact NH2-OE2 3.54Å; R413-E457 PolarHBondContact NH2-OE2 3.12Å; R413-L458 HydrophobicContact CG-CD2 4.33Å
414	F	93	Very high	93.2	Very high	7 Å²	7	75.5 Å²	75.5	3%	0.031	37%	0.365	C	S	.	.	H	α-helix	trans	-63.3	-48.3	-179.4	-175.3	-97	0	0	0	112	C392 H410 H412 G417 I418 L458 W533 F535	C392-F414 HydrophobicContact CB-CB 4.35Å; C392-F414 HydrophobicContact CB-CD1 3.67Å; C392-F414 HydrophobicContact CB-CE1 4.39Å; C392-F414 HydrophobicContact CB-CG 4.21Å; H410-F414 WeakPolarHBondContact O-CB 3.29Å; H410-F414 PolarHBondContact O-N 2.77Å; H412-F414 VanDerWaalsContact C-N 3.34Å; H412-F414 PolarHBondContact O-N 3.42Å; F414-G417 PolarHBondContact O-N 3.47Å; F414-I418 HydrophobicContact CD1-CD1 4.27Å; F414-I418 HydrophobicContact CE1-CD1 3.64Å; F414-I418 HydrophobicContact CE1-CG1 4.33Å; F414-I418 HydrophobicContact CE1-CG2 4.12Å; F414-I418 HydrophobicContact CE2-CG2 3.98Å; F414-I418 HydrophobicContact CZ-CD1 4.17Å; F414-I418 HydrophobicContact CZ-CG2 3.73Å; F414-I418 WeakPolarHBondContact O-CG1 3.5Å; F414-I418 PolarHBondContact O-N 3.05Å; F414-L458 HydrophobicContact CD2-CD1 3.96Å; F414-L458 HydrophobicContact CD2-CD2 4.34Å; F414-L458 HydrophobicContact CE2-CD1 4.31Å; F414-W533 HydrophobicContact CE2-CZ2 4.16Å; F414-W533 HydrophobicContact CZ-CH2 4.44Å; F414-W533 HydrophobicContact CZ-CZ2 4.28Å; F414-F535 AromaticContact CE1-CD2 3.89Å; F414-F535 HydrophobicContact CE1-CD2 3.89Å; F414-F535 AromaticContact CE1-CE2 3.53Å; F414-F535 HydrophobicContact CE1-CE2 3.53Å; F414-F535 HydrophobicContact CE1-CZ 4.01Å; F414-F535 HydrophobicContact CE2-CD2 4.34Å; F414-F535 AromaticContact CZ-CD2 3.35Å; F414-F535 HydrophobicContact CZ-CD2 3.35Å; F414-F535 AromaticContact CZ-CE2 3.46Å; F414-F535 HydrophobicContact CZ-CE2 3.46Å; F414-F535 VanDerWaalsContact CZ-CE2 3.46Å; F414-F535 HydrophobicContact CZ-CG 4.16Å; F414-F535 HydrophobicContact CZ-CZ 4.32Å
415	L	92.5	Very high	93.2	Very high	51 Å²	51	81.7 Å²	81.7	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-64.4	-42.7	-178.5	-75.6	-170.2	0	0	0	112.9	H411 H412 I418 K419	H411-L415 VanDerWaalsContact CD2-CD1 3.45Å; H411-L415 WeakPolarHBondContact CD2-CD1 3.19Å; H411-L415 WeakPolarHBondContact NE2-CD1 2.94Å; H411-L415 WeakPolarHBondContact O-CB 3.42Å; H411-L415 WeakPolarHBondContact O-CG 3.49Å; H411-L415 PolarHBondContact O-N 3.26Å; H412-L415 PolarHBondContact O-N 2.69Å; L415-I418 HydrophobicContact CD2-CD1 4.42Å; L415-K419 WeakPolarHBondContact O-CB 3.37Å; L415-K419 PolarHBondContact O-N 2.97Å
416	E	93.1	Very high	93.2	Very high	95 Å²	95	79.5 Å²	79.5	44%	0.444	37%	0.372	S	S	.	.	H	α-helix	trans	-70.6	-37.2	177.9	-166.9	63.7	-156.8	0	0	111.5	H412 I418 K419 K451	H412-E416 PolarHBondContact O-N 3.46Å; H412-E416 VanDerWaalsContact O-N 3.14Å; E416-I418 PolarHBondContact O-N 2.83Å; E416-K419 VanDerWaalsContact CD-CD 3.45Å; E416-K419 WeakPolarHBondContact O-CB 3.4Å; E416-K419 PolarHBondContact O-N 3.49Å; E416-K419 WeakPolarHBondContact OE1-CD 3.06Å; E416-K419 IonicContact OE1-NZ 3.03Å; E416-K419 PolarHBondContact OE1-NZ 3.03Å; E416-K419 WeakPolarHBondContact OE2-CD 3.32Å; E416-K419 WeakPolarHBondContact OE2-CE 3.07Å; E416-K419 IonicContact OE2-NZ 3.99Å; E416-K419 PolarHBondContact OE2-NZ 3.34Å; E416-K451 PolarHBondContact O-NZ 3.41Å
417	G	92	Very high	93.2	Very high	9 Å²	9	78.8 Å²	78.8	9%	0.093	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-37.6	175.1	0	0	0	0	0	113.4	R413 F414 K451 V455	R413-G417 PolarHBondContact O-N 2.82Å; F414-G417 PolarHBondContact O-N 3.47Å; G417-K451 WeakPolarHBondContact O-CE 3.4Å; G417-K451 PolarHBondContact O-NZ 2.97Å; G417-V455 WeakPolarHBondContact O-CG2 3.47Å
418	I	94.3	Very high	93.3	Very high	2 Å²	2	81.2 Å²	81.2	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-85.3	-11.3	174.5	71.9	168.2	0	0	0	114.8	F414 L415 E416 Y420 L458 R486 V487 W533	F414-I418 HydrophobicContact CD1-CD1 4.27Å; F414-I418 HydrophobicContact CE1-CD1 3.64Å; F414-I418 HydrophobicContact CE1-CG1 4.33Å; F414-I418 HydrophobicContact CE1-CG2 4.12Å; F414-I418 HydrophobicContact CE2-CG2 3.98Å; F414-I418 HydrophobicContact CZ-CD1 4.17Å; F414-I418 HydrophobicContact CZ-CG2 3.73Å; F414-I418 WeakPolarHBondContact O-CG1 3.5Å; F414-I418 PolarHBondContact O-N 3.05Å; L415-I418 HydrophobicContact CD2-CD1 4.42Å; E416-I418 PolarHBondContact O-N 2.83Å; I418-Y420 PolarHBondContact O-N 3.23Å; I418-L458 HydrophobicContact CG2-CD1 3.83Å; I418-R486 HydrophobicContact CD1-CB 4.15Å; I418-R486 HydrophobicContact CD1-CG 4.34Å; I418-R486 HydrophobicContact CG1-CB 4.42Å; I418-R486 CarbonylContact O-C 3.59Å; I418-R486 VanDerWaalsContact O-CA 3.29Å; I418-R486 WeakPolarHBondContact O-CA 3.17Å; I418-V487 PolarHBondContact O-N 2.78Å; I418-W533 HydrophobicContact CG2-CH2 4.21Å
419	K	95.1	Very high	93.4	Very high	91 Å²	91	78 Å²	78	40%	0.396	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-62	127.5	-176.4	178.4	-175.4	176.1	-171.7	0	111.7	L415 E416 V421	L415-K419 WeakPolarHBondContact O-CB 3.37Å; L415-K419 PolarHBondContact O-N 2.97Å; E416-K419 VanDerWaalsContact CD-CD 3.45Å; E416-K419 WeakPolarHBondContact O-CB 3.4Å; E416-K419 PolarHBondContact O-N 3.49Å; E416-K419 WeakPolarHBondContact OE1-CD 3.06Å; E416-K419 IonicContact OE1-NZ 3.03Å; E416-K419 PolarHBondContact OE1-NZ 3.03Å; E416-K419 WeakPolarHBondContact OE2-CD 3.32Å; E416-K419 WeakPolarHBondContact OE2-CE 3.07Å; E416-K419 IonicContact OE2-NZ 3.99Å; E416-K419 PolarHBondContact OE2-NZ 3.34Å; K419-V421 HydrophobicContact CG-CG2 4.42Å
420	Y	95.4	Very high	93.5	Very high	5 Å²	5	72.5 Å²	72.5	2%	0.02	34%	0.34	C	S	.	.			trans	-124.4	96.8	-179.9	-168.7	-92.2	0	0	0	110.7	I418 G422 W423 E426 I482 K485 V487	I418-Y420 PolarHBondContact O-N 3.23Å; Y420-G422 PolarHBondContact O-N 3.38Å; Y420-W423 HydrophobicContact CD2-CZ2 4.44Å; Y420-W423 HydrophobicContact CE2-CD2 4.18Å; Y420-W423 AromaticContact CE2-CE2 3.7Å; Y420-W423 HydrophobicContact CE2-CE3 4.49Å; Y420-W423 AromaticContact CE2-CH2 3.95Å; Y420-W423 HydrophobicContact CE2-CH2 3.95Å; Y420-W423 AromaticContact CE2-CZ2 3.58Å; Y420-W423 HydrophobicContact CE2-CZ2 3.58Å; Y420-W423 HydrophobicContact CE2-CZ3 4.38Å; Y420-E426 WeakPolarHBondContact OH-CG 3.13Å; Y420-E426 PolarHBondContact OH-OE1 2.88Å; Y420-I482 HydrophobicContact CD1-CD1 4.14Å; Y420-I482 HydrophobicContact CD1-CG1 4.14Å; Y420-I482 HydrophobicContact CD1-CG2 3.59Å; Y420-I482 HydrophobicContact CD2-CD1 3.62Å; Y420-I482 HydrophobicContact CD2-CG1 4.37Å; Y420-I482 HydrophobicContact CE1-CD1 4.42Å; Y420-I482 HydrophobicContact CE1-CG1 4.14Å; Y420-I482 HydrophobicContact CE1-CG2 4.17Å; Y420-I482 HydrophobicContact CE2-CD1 3.95Å; Y420-I482 HydrophobicContact CE2-CG1 4.39Å; Y420-I482 HydrophobicContact CG-CD1 3.72Å; Y420-I482 HydrophobicContact CG-CG1 4.24Å; Y420-I482 HydrophobicContact CG-CG2 4.01Å; Y420-K485 PolarHBondContact N-O 3.37Å; Y420-K485 WeakPolarHBondContact O-CB 3.43Å; Y420-V487 HydrophobicContact CD2-CG2 4.21Å
421	V	91.7	Very high	93.7	Very high	112 Å²	112	75.4 Å²	75.4	68%	0.679	35%	0.353	S	S	*	.			trans	-67.3	-25.3	-175.6	-177.6	0	0	0	0	112.7	K419	K419-V421 HydrophobicContact CG-CG2 4.42Å
422	G	90.8	Very high	93.8	Very high	32 Å²	32	77 Å²	77	33%	0.33	36%	0.36	S	S	.	.			trans	94.8	148.9	-166.5	0	0	0	0	0	111.6	Y420 E426	Y420-G422 PolarHBondContact O-N 3.38Å; G422-E426 VanDerWaalsContact CA-OE1 3.23Å; G422-E426 WeakPolarHBondContact CA-OE1 3.45Å
423	W	92.6	Very high	93.9	Very high	49 Å²	49	81.6 Å²	81.6	19%	0.186	37%	0.371	C	S	.	.			trans	-120.3	156.6	-176.4	-55.5	-31.3	0	0	0	112.5	Y420 R425 E426 V438 V440 Y447 A448 K451	Y420-W423 HydrophobicContact CD2-CZ2 4.44Å; Y420-W423 HydrophobicContact CE2-CD2 4.18Å; Y420-W423 AromaticContact CE2-CE2 3.7Å; Y420-W423 HydrophobicContact CE2-CE3 4.49Å; Y420-W423 AromaticContact CE2-CH2 3.95Å; Y420-W423 HydrophobicContact CE2-CH2 3.95Å; Y420-W423 AromaticContact CE2-CZ2 3.58Å; Y420-W423 HydrophobicContact CE2-CZ2 3.58Å; Y420-W423 HydrophobicContact CE2-CZ3 4.38Å; W423-R425 PolarHBondContact O-N 2.93Å; W423-E426 HydrophobicContact CB-CG 3.85Å; W423-E426 HydrophobicContact CE3-CG 4.28Å; W423-E426 HydrophobicContact CG-CG 4.49Å; W423-E426 PolarHBondContact N-OE1 2.88Å; W423-V438 HydrophobicContact CZ3-CG1 4.14Å; W423-V440 HydrophobicContact CH2-CG2 3.81Å; W423-V440 HydrophobicContact CZ3-CG2 3.95Å; W423-Y447 HydrophobicContact CB-CE2 3.82Å; W423-Y447 AromaticContact CD1-CD2 3.83Å; W423-Y447 AromaticContact CD1-CE2 3.85Å; W423-Y447 HydrophobicContact CD2-CD2 4.06Å; W423-Y447 AromaticContact CD2-CE2 3.74Å; W423-Y447 HydrophobicContact CD2-CE2 3.74Å; W423-Y447 HydrophobicContact CE3-CE2 4.24Å; W423-Y447 AromaticContact CG-CD2 3.97Å; W423-Y447 HydrophobicContact CG-CD2 3.97Å; W423-Y447 AromaticContact CG-CE2 3.53Å; W423-Y447 HydrophobicContact CG-CE2 3.53Å; W423-Y447 AromaticContact NE1-CD2 3.85Å; W423-A448 HydrophobicContact CE3-CB 4.18Å; W423-A448 HydrophobicContact CH2-CB 3.53Å; W423-A448 HydrophobicContact CZ2-CB 3.98Å; W423-A448 HydrophobicContact CZ3-CB 3.64Å; W423-K451 HydrophobicContact CZ2-CB 3.85Å; W423-K451 HydrophobicContact CZ2-CG 4.04Å
424	K	89.7	Confident	94.1	Very high	210 Å²	210	76.6 Å²	76.6	91%	0.913	35%	0.354	S	S	*	.	S	Bend	trans	-65.1	-22	177.5	-66.9	-172.9	179.5	-178.8	0	113.7
425	R	91.8	Very high	94.3	Very high	218 Å²	218	77 Å²	77	82%	0.823	36%	0.361	S	S	*	.	S	Bend	trans	-141.9	108.3	175	-68.7	-177.2	178.3	168.9	-1.1	107.8	W423	W423-R425 PolarHBondContact O-N 2.93Å
426	E	94	Very high	94.5	Very high	50 Å²	50	77.2 Å²	77.2	23%	0.234	36%	0.36	C	S	.	.			trans	-112.1	128.7	176.3	-65.9	178.7	-167.9	0	0	109.2	Y420 G422 W423 I428 K436 V438	Y420-E426 WeakPolarHBondContact OH-CG 3.13Å; Y420-E426 PolarHBondContact OH-OE1 2.88Å; G422-E426 VanDerWaalsContact CA-OE1 3.23Å; G422-E426 WeakPolarHBondContact CA-OE1 3.45Å; W423-E426 HydrophobicContact CB-CG 3.85Å; W423-E426 HydrophobicContact CE3-CG 4.28Å; W423-E426 HydrophobicContact CG-CG 4.49Å; W423-E426 PolarHBondContact N-OE1 2.88Å; E426-I428 VanDerWaalsContact C-N 3.34Å; E426-I428 HydrophobicContact CB-CG1 4.1Å; E426-I428 PolarHBondContact O-N 3.31Å; E426-I428 VanDerWaalsContact O-N 3.16Å; E426-K436 WeakPolarHBondContact OE2-CE 3.4Å; E426-K436 IonicContact OE2-NZ 3.55Å; E426-K436 PolarHBondContact OE2-NZ 3.49Å; E426-V438 HydrophobicContact CB-CG1 4.46Å
427	R	95.4	Very high	94.8	Very high	92 Å²	92	72.7 Å²	72.7	35%	0.347	34%	0.339	S	S	.	.			trans	-87	79.2	172.3	-172.6	-171.2	-62.3	98.7	-0.7	109	V429 V438 L439 D444	R427-V429 HydrophobicContact CG-CG1 4.41Å; R427-V438 WeakPolarHBondContact O-CA 3.28Å; R427-L439 WeakPolarHBondContact CB-O 3.4Å; R427-L439 HydrophobicContact CG-CB 4.45Å; R427-L439 PolarHBondContact NH1-O 2.92Å; R427-L439 PolarHBondContact O-N 2.92Å; R427-D444 IonicContact CZ-OD1 3.48Å; R427-D444 IonicContact CZ-OD2 3.64Å; R427-D444 IonicContact NH1-OD1 2.82Å; R427-D444 PolarHBondContact NH1-OD1 2.72Å; R427-D444 IonicContact NH1-OD2 3.63Å; R427-D444 PolarHBondContact NH1-OD2 2.97Å; R427-D444 IonicContact NH2-OD1 2.72Å; R427-D444 PolarHBondContact NH2-OD1 3.48Å; R427-D444 IonicContact NH2-OD2 3.29Å
428	I	96.4	Very high	95	Very high	63 Å²	63	72.3 Å²	72.3	32%	0.323	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.8	175.1	-54.2	173.1	0	0	0	108.4	E426 E431 K436 I437 V438	E426-I428 VanDerWaalsContact C-N 3.34Å; E426-I428 HydrophobicContact CB-CG1 4.1Å; E426-I428 PolarHBondContact O-N 3.31Å; E426-I428 VanDerWaalsContact O-N 3.16Å; I428-E431 HydrophobicContact CG2-CG 3.61Å; I428-K436 HydrophobicContact CD1-CD 3.77Å; I428-K436 HydrophobicContact CG1-CD 4.11Å; I428-K436 HydrophobicContact CG2-CB 4.28Å; I428-K436 HydrophobicContact CG2-CD 4.44Å; I428-I437 WeakPolarHBondContact CA-O 3.49Å; I428-V438 HydrophobicContact CG1-CG2 4.44Å
429	V	96	Very high	95.1	Very high	34 Å²	34	72.7 Å²	72.7	21%	0.206	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-14.7	-176	-75.3	0	0	0	0	113.6	R427 I437 L439 F479 T550	R427-V429 HydrophobicContact CG-CG1 4.41Å; V429-I437 HydrophobicContact CG2-CB 4.13Å; V429-I437 HydrophobicContact CG2-CG2 3.7Å; V429-I437 VanDerWaalsContact CG2-O 3.3Å; V429-I437 WeakPolarHBondContact CG2-O 3.4Å; V429-I437 PolarHBondContact N-O 2.72Å; V429-L439 HydrophobicContact CB-CB 4.49Å; V429-L439 HydrophobicContact CG1-CB 3.71Å; V429-L439 HydrophobicContact CG1-CD2 4.03Å; V429-L439 HydrophobicContact CG2-CB 3.9Å; V429-F479 HydrophobicContact CG2-CD1 4.21Å; V429-F479 HydrophobicContact CG2-CE1 4.41Å; V429-T550 HydrophobicContact CB-CG2 3.86Å; V429-T550 HydrophobicContact CG2-CG2 3.49Å; V429-T550 VanDerWaalsContact CG2-CG2 3.49Å
430	A	96.4	Very high	95.2	Very high	20 Å²	20	68.7 Å²	68.7	17%	0.165	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	147.9	167	0	0	0	0	0	110.4	F432 K436 I437 T550	A430-F432 HydrophobicContact CB-CE2 3.68Å; A430-F432 HydrophobicContact CB-CZ 3.74Å; A430-K436 CarbonylContact O-C 3.4Å; A430-K436 WeakPolarHBondContact O-CA 3.42Å; A430-I437 HydrophobicContact CB-CB 4.35Å; A430-I437 HydrophobicContact CB-CD1 4.36Å; A430-I437 PolarHBondContact O-N 2.82Å; A430-T550 HydrophobicContact CB-CG2 4.34Å
431	E	97	Very high	95.2	Very high	138 Å²	138	70.7 Å²	70.7	65%	0.645	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.9	176.5	-62	-166.3	154.5	0	0	110.9	I428 K436	I428-E431 HydrophobicContact CG2-CG 3.61Å; E431-K436 HydrophobicContact CG-CB 4.22Å
432	F	96.8	Very high	95.2	Very high	73 Å²	73	67.6 Å²	67.6	32%	0.32	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.9	-177.8	-51.2	-80.8	0	0	0	110.6	A430 D434 G435 I437 F481 R546	A430-F432 HydrophobicContact CB-CE2 3.68Å; A430-F432 HydrophobicContact CB-CZ 3.74Å; F432-D434 PolarHBondContact O-N 2.65Å; F432-G435 CarbonylContact C-O 3.57Å; F432-G435 WeakPolarHBondContact CA-O 3.49Å; F432-G435 WeakPolarHBondContact CB-O 3.2Å; F432-G435 PolarHBondContact N-O 3.23Å; F432-G435 PolarHBondContact O-N 2.66Å; F432-I437 HydrophobicContact CE2-CD1 3.77Å; F432-I437 HydrophobicContact CE2-CG1 4.06Å; F432-I437 HydrophobicContact CZ-CD1 4.42Å; F432-F481 AromaticContact CD2-CE2 3.77Å; F432-F481 HydrophobicContact CD2-CE2 3.77Å; F432-F481 HydrophobicContact CD2-CZ 4.19Å; F432-F481 HydrophobicContact CE2-CE2 4.1Å; F432-R546 VanDerWaalsContact CB-NH1 3.29Å; F432-R546 VanDerWaalsContact CE1-CD 3.44Å; F432-R546 HydrophobicContact CE1-CG 4.04Å; F432-R546 HydrophobicContact CE2-CB 4.21Å; F432-R546 HydrophobicContact CE2-CG 4.44Å; F432-R546 HydrophobicContact CZ-CB 3.94Å; F432-R546 HydrophobicContact CZ-CG 3.89Å
433	W	96.2	Very high	95.2	Very high	236 Å²	236	77.7 Å²	77.7	89%	0.894	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-18	179	59.5	-91.5	0	0	0	114.4
434	D	96.3	Very high	95.3	Very high	21 Å²	21	76.8 Å²	76.8	11%	0.112	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	17.4	177.2	65.2	-27.8	0	0	0	113.3	F432 F481 D483 R546	F432-D434 PolarHBondContact O-N 2.65Å; D434-F481 WeakPolarHBondContact O-CE1 3.43Å; D434-D483 VanDerWaalsContact O-CG 3.29Å; D434-R546 IonicContact OD1-CZ 3.63Å; D434-R546 IonicContact OD1-NH1 3.37Å; D434-R546 PolarHBondContact OD1-NH1 2.71Å; D434-R546 IonicContact OD1-NH2 2.69Å; D434-R546 PolarHBondContact OD1-NH2 2.95Å; D434-R546 IonicContact OD2-CZ 2.71Å; D434-R546 IonicContact OD2-NH1 3.42Å; D434-R546 IonicContact OD2-NH2 3.73Å; D434-R546 PolarHBondContact OD2-NH2 3.1Å
435	G	96.5	Very high	95.6	Very high	17 Å²	17	69.9 Å²	69.9	18%	0.175	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.4	-176.7	175.1	0	0	0	0	0	114.9	F432 I482	F432-G435 CarbonylContact C-O 3.57Å; F432-G435 WeakPolarHBondContact CA-O 3.49Å; F432-G435 WeakPolarHBondContact CB-O 3.2Å; F432-G435 PolarHBondContact N-O 3.23Å; F432-G435 PolarHBondContact O-N 2.66Å; G435-I482 CarbonylContact C-O 3.49Å; G435-I482 WeakPolarHBondContact CA-O 3.29Å
436	K	97.5	Very high	95.7	Very high	55 Å²	55	64.3 Å²	64.3	24%	0.239	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.2	-178.7	58.3	174.8	171.7	175	0	112.1	E426 I428 A430 E431 I482	E426-K436 WeakPolarHBondContact OE2-CE 3.4Å; E426-K436 IonicContact OE2-NZ 3.55Å; E426-K436 PolarHBondContact OE2-NZ 3.49Å; I428-K436 HydrophobicContact CD1-CD 3.77Å; I428-K436 HydrophobicContact CG1-CD 4.11Å; I428-K436 HydrophobicContact CG2-CB 4.28Å; I428-K436 HydrophobicContact CG2-CD 4.44Å; A430-K436 CarbonylContact O-C 3.4Å; A430-K436 WeakPolarHBondContact O-CA 3.42Å; E431-K436 HydrophobicContact CG-CB 4.22Å; K436-I482 HydrophobicContact CG-CB 4.23Å; K436-I482 PolarHBondContact N-O 2.96Å; K436-I482 PolarHBondContact O-N 2.74Å
437	I	98.1	Very high	95.7	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.7	174.3	-60.1	173.5	0	0	0	109.2	I428 V429 A430 F432 F479 L480 F481 R546 L547 T550	I428-I437 WeakPolarHBondContact CA-O 3.49Å; V429-I437 HydrophobicContact CG2-CB 4.13Å; V429-I437 HydrophobicContact CG2-CG2 3.7Å; V429-I437 VanDerWaalsContact CG2-O 3.3Å; V429-I437 WeakPolarHBondContact CG2-O 3.4Å; V429-I437 PolarHBondContact N-O 2.72Å; A430-I437 HydrophobicContact CB-CB 4.35Å; A430-I437 HydrophobicContact CB-CD1 4.36Å; A430-I437 PolarHBondContact O-N 2.82Å; F432-I437 HydrophobicContact CE2-CD1 3.77Å; F432-I437 HydrophobicContact CE2-CG1 4.06Å; F432-I437 HydrophobicContact CZ-CD1 4.42Å; I437-F479 HydrophobicContact CG2-CB 4.07Å; I437-F479 HydrophobicContact CG2-CD1 4.12Å; I437-L480 WeakPolarHBondContact CA-O 3.48Å; I437-F481 HydrophobicContact CD1-CD2 3.96Å; I437-F481 HydrophobicContact CD1-CE2 4.44Å; I437-F481 HydrophobicContact CG1-CB 4.43Å; I437-F481 HydrophobicContact CG1-CD2 3.53Å; I437-F481 HydrophobicContact CG1-CE2 4.14Å; I437-F481 HydrophobicContact CG1-CG 4.28Å; I437-R546 HydrophobicContact CD1-CB 4.26Å; I437-L547 HydrophobicContact CD1-CD2 4.09Å; I437-L547 HydrophobicContact CD1-CG 4.4Å; I437-L547 HydrophobicContact CG1-CD2 4.25Å; I437-L547 HydrophobicContact CG2-CD2 4.06Å; I437-T550 HydrophobicContact CD1-CG2 4.47Å; I437-T550 WeakPolarHBondContact CD1-OG1 3.23Å; I437-T550 HydrophobicContact CG2-CG2 4.12Å
438	V	97.5	Very high	95.7	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.9	175.4	-177.8	0	0	0	0	109	W423 E426 R427 I428 F479 L480 I482	W423-V438 HydrophobicContact CZ3-CG1 4.14Å; E426-V438 HydrophobicContact CB-CG1 4.46Å; R427-V438 WeakPolarHBondContact O-CA 3.28Å; I428-V438 HydrophobicContact CG1-CG2 4.44Å; V438-F479 WeakPolarHBondContact O-CA 3.35Å; V438-L480 PolarHBondContact N-O 2.82Å; V438-L480 PolarHBondContact O-N 2.96Å; V438-I482 HydrophobicContact CG2-CG1 4.04Å
439	L	96.9	Very high	95.6	Very high	10 Å²	10	62 Å²	62	5%	0.052	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.8	177.2	167.8	57.9	0	0	0	110.6	R427 V429 L441 K477 F479 C554	R427-L439 WeakPolarHBondContact CB-O 3.4Å; R427-L439 HydrophobicContact CG-CB 4.45Å; R427-L439 PolarHBondContact NH1-O 2.92Å; R427-L439 PolarHBondContact O-N 2.92Å; V429-L439 HydrophobicContact CB-CB 4.49Å; V429-L439 HydrophobicContact CG1-CB 3.71Å; V429-L439 HydrophobicContact CG1-CD2 4.03Å; V429-L439 HydrophobicContact CG2-CB 3.9Å; L439-L441 HydrophobicContact CD1-CD2 4Å; L439-L441 HydrophobicContact CD2-CD2 4.35Å; L439-L441 HydrophobicContact CG-CD2 4.18Å; L439-L441 HydrophobicContact CG-CG 4.48Å; L439-K477 HydrophobicContact CD1-CB 3.98Å; L439-F479 HydrophobicContact CB-CD1 4.32Å; L439-F479 HydrophobicContact CB-CE1 4.27Å; L439-F479 HydrophobicContact CD1-CD1 4.17Å; L439-F479 HydrophobicContact CD1-CD2 4.26Å; L439-F479 HydrophobicContact CD1-CE1 3.85Å; L439-F479 HydrophobicContact CD1-CE2 3.93Å; L439-F479 HydrophobicContact CD1-CG 4.38Å; L439-F479 HydrophobicContact CD1-CZ 3.73Å; L439-F479 HydrophobicContact CD2-CE1 4.21Å; L439-F479 HydrophobicContact CD2-CZ 4.35Å; L439-F479 HydrophobicContact CG-CE1 4.33Å; L439-C554 HydrophobicContact CD2-CB 4.24Å
440	V	96	Very high	95.5	Very high	6 Å²	6	66.5 Å²	66.5	4%	0.036	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.8	170.5	-171.4	0	0	0	0	109.9	W423 D444 A448 V452 T478 L480	W423-V440 HydrophobicContact CH2-CG2 3.81Å; W423-V440 HydrophobicContact CZ3-CG2 3.95Å; V440-D444 WeakPolarHBondContact CA-OD2 3.23Å; V440-D444 HydrophobicContact CG1-CB 4.27Å; V440-A448 HydrophobicContact CG1-CB 4.07Å; V440-V452 HydrophobicContact CB-CG2 3.9Å; V440-V452 HydrophobicContact CG1-CG2 3.96Å; V440-V452 HydrophobicContact CG2-CG2 3.87Å; V440-T478 PolarHBondContact N-O 3.05Å; V440-T478 PolarHBondContact O-N 2.85Å; V440-L480 HydrophobicContact CG2-CD1 4.21Å
441	L	94.8	Very high	95.4	Very high	48 Å²	48	66.5 Å²	66.5	25%	0.251	31%	0.313	S	S	.	.			trans	-114.3	158.4	176.2	-61.8	-179.8	0	0	0	110.8	L439 R443 D444 K477	L439-L441 HydrophobicContact CD1-CD2 4Å; L439-L441 HydrophobicContact CD2-CD2 4.35Å; L439-L441 HydrophobicContact CG-CD2 4.18Å; L439-L441 HydrophobicContact CG-CG 4.48Å; L441-R443 PolarHBondContact O-N 3.46Å; L441-D444 PolarHBondContact N-OD2 3.46Å; L441-D444 WeakPolarHBondContact O-CB 3.1Å; L441-D444 PolarHBondContact O-N 2.98Å; L441-K477 HydrophobicContact CD2-CB 4.44Å; L441-K477 HydrophobicContact CD2-CD 4.09Å; L441-K477 HydrophobicContact CD2-CG 3.73Å
442	P	92.6	Very high	95.3	Very high	47 Å²	47	60.7 Å²	60.7	31%	0.305	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	2.2	-176.6	-19.1	34.8	0	0	0	114.9	T476	P442-T476 WeakPolarHBondContact CD-O 3.47Å; P442-T476 WeakPolarHBondContact CG-O 3.27Å
443	R	91.7	Very high	95.1	Very high	244 Å²	244	62.5 Å²	62.5	92%	0.921	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	8.4	176.9	-60.4	-176.2	-178.7	178.8	-1.1	112.7	L441	L441-R443 PolarHBondContact O-N 3.46Å
444	D	94.3	Very high	95	Very high	30 Å²	30	54 Å²	54	16%	0.16	27%	0.268	C	S	.	.	S	Bend	trans	-75	165.3	172.5	-73.1	-25.9	0	0	0	111.1	R427 V440 L441 A448 I449	R427-D444 IonicContact CZ-OD1 3.48Å; R427-D444 IonicContact CZ-OD2 3.64Å; R427-D444 IonicContact NH1-OD1 2.82Å; R427-D444 PolarHBondContact NH1-OD1 2.72Å; R427-D444 IonicContact NH1-OD2 3.63Å; R427-D444 PolarHBondContact NH1-OD2 2.97Å; R427-D444 IonicContact NH2-OD1 2.72Å; R427-D444 PolarHBondContact NH2-OD1 3.48Å; R427-D444 IonicContact NH2-OD2 3.29Å; V440-D444 WeakPolarHBondContact CA-OD2 3.23Å; V440-D444 HydrophobicContact CG1-CB 4.27Å; L441-D444 PolarHBondContact N-OD2 3.46Å; L441-D444 WeakPolarHBondContact O-CB 3.1Å; L441-D444 PolarHBondContact O-N 2.98Å; D444-A448 HydrophobicContact CB-CB 4.25Å; D444-I449 VanDerWaalsContact O-CD1 3.31Å; D444-I449 WeakPolarHBondContact O-CD1 3.3Å
445	P	95.7	Very high	94.9	Very high	65 Å²	65	53 Å²	53	42%	0.422	26%	0.263	S	S	.	.			trans	-57.2	150.8	-179	-27.8	37.3	0	0	0	113.8	Y447 A448 I449	P445-Y447 HydrophobicContact CB-CD1 3.68Å; P445-Y447 HydrophobicContact CB-CE1 3.33Å; P445-Y447 HydrophobicContact CB-CE2 4.41Å; P445-Y447 HydrophobicContact CB-CG 4.37Å; P445-Y447 HydrophobicContact CG-CE1 3.89Å; P445-Y447 PolarHBondContact O-N 3.21Å; P445-A448 WeakPolarHBondContact O-CA 3.45Å; P445-A448 WeakPolarHBondContact O-CB 3.43Å; P445-A448 PolarHBondContact O-N 3.33Å; P445-I449 PolarHBondContact O-N 3.38Å
446	S	94.2	Very high	94.7	Very high	100 Å²	100	54.1 Å²	54.1	70%	0.699	26%	0.264	S	S	*	.	H	α-helix	trans	-54.2	-31	-176.6	54.8	0	0	0	0	114.7	A448 I449 K450	S446-A448 VanDerWaalsContact C-N 3.26Å; S446-A448 PolarHBondContact O-N 2.7Å; S446-I449 PolarHBondContact O-N 3.45Å; S446-K450 VanDerWaalsContact O-CB 3.25Å; S446-K450 WeakPolarHBondContact O-CB 3.21Å; S446-K450 PolarHBondContact O-N 2.79Å
447	Y	94.4	Very high	94.4	Very high	100 Å²	100	56.1 Å²	56.1	39%	0.392	27%	0.274	S	S	.	.	H	α-helix	trans	-65.4	-26.9	174.5	64.7	-106.2	0	0	0	113.7	W423 P445 K451	W423-Y447 HydrophobicContact CB-CE2 3.82Å; W423-Y447 AromaticContact CD1-CD2 3.83Å; W423-Y447 AromaticContact CD1-CE2 3.85Å; W423-Y447 HydrophobicContact CD2-CD2 4.06Å; W423-Y447 AromaticContact CD2-CE2 3.74Å; W423-Y447 HydrophobicContact CD2-CE2 3.74Å; W423-Y447 HydrophobicContact CE3-CE2 4.24Å; W423-Y447 AromaticContact CG-CD2 3.97Å; W423-Y447 HydrophobicContact CG-CD2 3.97Å; W423-Y447 AromaticContact CG-CE2 3.53Å; W423-Y447 HydrophobicContact CG-CE2 3.53Å; W423-Y447 AromaticContact NE1-CD2 3.85Å; P445-Y447 HydrophobicContact CB-CD1 3.68Å; P445-Y447 HydrophobicContact CB-CE1 3.33Å; P445-Y447 HydrophobicContact CB-CE2 4.41Å; P445-Y447 HydrophobicContact CB-CG 4.37Å; P445-Y447 HydrophobicContact CG-CE1 3.89Å; P445-Y447 PolarHBondContact O-N 3.21Å; Y447-K451 WeakPolarHBondContact O-CB 3.28Å; Y447-K451 PolarHBondContact O-N 3.17Å
448	A	94.9	Very high	94.1	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-83.6	-42.5	177.9	0	0	0	0	0	111	W423 V440 D444 P445 S446 K451 V452	W423-A448 HydrophobicContact CE3-CB 4.18Å; W423-A448 HydrophobicContact CH2-CB 3.53Å; W423-A448 HydrophobicContact CZ2-CB 3.98Å; W423-A448 HydrophobicContact CZ3-CB 3.64Å; V440-A448 HydrophobicContact CG1-CB 4.07Å; D444-A448 HydrophobicContact CB-CB 4.25Å; P445-A448 WeakPolarHBondContact O-CA 3.45Å; P445-A448 WeakPolarHBondContact O-CB 3.43Å; P445-A448 PolarHBondContact O-N 3.33Å; S446-A448 VanDerWaalsContact C-N 3.26Å; S446-A448 PolarHBondContact O-N 2.7Å; A448-K451 PolarHBondContact O-N 2.9Å; A448-V452 PolarHBondContact O-N 3.39Å; A448-V452 VanDerWaalsContact O-N 3.1Å
449	I	93.8	Very high	93.8	Very high	55 Å²	55	57 Å²	57	28%	0.282	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-49.5	174.3	-60.5	177.4	0	0	0	109.9	D444 P445 S446 K451 V452 E453	D444-I449 VanDerWaalsContact O-CD1 3.31Å; D444-I449 WeakPolarHBondContact O-CD1 3.3Å; P445-I449 PolarHBondContact O-N 3.38Å; S446-I449 PolarHBondContact O-N 3.45Å; I449-K451 VanDerWaalsContact C-N 3.29Å; I449-K451 PolarHBondContact O-N 2.81Å; I449-V452 CarbonylContact O-C 3.19Å; I449-V452 WeakPolarHBondContact O-CA 3.24Å; I449-V452 VanDerWaalsContact O-CB 3.31Å; I449-V452 WeakPolarHBondContact O-CB 3.41Å; I449-V452 PolarHBondContact O-N 3.45Å; I449-E453 PolarHBondContact O-N 2.93Å
450	K	93.7	Very high	93.4	Very high	129 Å²	129	57.1 Å²	57.1	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-58.8	-37.5	176.2	-175.2	170.6	-177.8	173.5	0	113.2	S446 V452 E453 D454	S446-K450 VanDerWaalsContact O-CB 3.25Å; S446-K450 WeakPolarHBondContact O-CB 3.21Å; S446-K450 PolarHBondContact O-N 2.79Å; K450-V452 VanDerWaalsContact C-N 3.28Å; K450-V452 PolarHBondContact O-N 3.14Å; K450-E453 WeakPolarHBondContact CA-OE2 3.5Å; K450-E453 WeakPolarHBondContact O-CB 3.42Å; K450-E453 PolarHBondContact O-N 3.46Å; K450-D454 PolarHBondContact O-N 2.8Å
451	K	94.9	Very high	93	Very high	21 Å²	21	61.6 Å²	61.6	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-68.3	-28.1	175.8	-164.5	63.9	-111.5	164.8	0	112.5	E416 G417 W423 Y447 A448 I449 D454 V455	E416-K451 PolarHBondContact O-NZ 3.41Å; G417-K451 WeakPolarHBondContact O-CE 3.4Å; G417-K451 PolarHBondContact O-NZ 2.97Å; W423-K451 HydrophobicContact CZ2-CB 3.85Å; W423-K451 HydrophobicContact CZ2-CG 4.04Å; Y447-K451 WeakPolarHBondContact O-CB 3.28Å; Y447-K451 PolarHBondContact O-N 3.17Å; A448-K451 PolarHBondContact O-N 2.9Å; I449-K451 VanDerWaalsContact C-N 3.29Å; I449-K451 PolarHBondContact O-N 2.81Å; K451-D454 WeakPolarHBondContact CE-OD2 3.32Å; K451-D454 IonicContact NZ-OD2 2.65Å; K451-D454 PolarHBondContact NZ-OD2 3.14Å; K451-V455 VanDerWaalsContact O-CG2 3.23Å; K451-V455 WeakPolarHBondContact O-CG2 3.37Å; K451-V455 PolarHBondContact O-N 3.35Å
452	V	94.3	Very high	92.6	Very high	15 Å²	15	61.6 Å²	61.6	9%	0.091	30%	0.301	C	S	.	.	H	α-helix	trans	-70.8	-42.2	169.6	164.8	0	0	0	0	110.6	V440 A448 I449 K450 V455 Q456 T478 L480	V440-V452 HydrophobicContact CB-CG2 3.9Å; V440-V452 HydrophobicContact CG1-CG2 3.96Å; V440-V452 HydrophobicContact CG2-CG2 3.87Å; A448-V452 PolarHBondContact O-N 3.39Å; A448-V452 VanDerWaalsContact O-N 3.1Å; I449-V452 CarbonylContact O-C 3.19Å; I449-V452 WeakPolarHBondContact O-CA 3.24Å; I449-V452 VanDerWaalsContact O-CB 3.31Å; I449-V452 WeakPolarHBondContact O-CB 3.41Å; I449-V452 PolarHBondContact O-N 3.45Å; K450-V452 VanDerWaalsContact C-N 3.28Å; K450-V452 PolarHBondContact O-N 3.14Å; V452-V455 PolarHBondContact O-N 3.23Å; V452-Q456 WeakPolarHBondContact O-CB 3.43Å; V452-Q456 PolarHBondContact O-N 2.92Å; V452-T478 HydrophobicContact CB-CG2 4.46Å; V452-T478 HydrophobicContact CG1-CG2 3.89Å; V452-T478 HydrophobicContact CG2-CG2 3.76Å; V452-L480 HydrophobicContact CG2-CD1 4.23Å
453	E	93	Very high	92	Very high	112 Å²	112	61.9 Å²	61.9	52%	0.523	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-49	175.5	-65.7	164.6	170.5	0	0	111.6	I449 K450 V455 Q456 E457	I449-E453 PolarHBondContact O-N 2.93Å; K450-E453 WeakPolarHBondContact CA-OE2 3.5Å; K450-E453 WeakPolarHBondContact O-CB 3.42Å; K450-E453 PolarHBondContact O-N 3.46Å; E453-V455 PolarHBondContact O-N 3.32Å; E453-Q456 PolarHBondContact O-N 2.87Å; E453-E457 PolarHBondContact O-N 2.92Å
454	D	93.6	Very high	91.3	Very high	56 Å²	56	53.5 Å²	53.5	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-51.5	-43.5	174.1	-66	-20.3	0	0	0	111.8	K450 K451 L458	K450-D454 PolarHBondContact O-N 2.8Å; K451-D454 WeakPolarHBondContact CE-OD2 3.32Å; K451-D454 IonicContact NZ-OD2 2.65Å; K451-D454 PolarHBondContact NZ-OD2 3.14Å; D454-L458 PolarHBondContact O-N 3.31Å
455	V	94.1	Very high	89.9	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-76.8	-39.7	-178.4	169	0	0	0	0	110.8	G417 K451 V452 E453 E457 L458 V459 L480 V487 C490	G417-V455 WeakPolarHBondContact O-CG2 3.47Å; K451-V455 VanDerWaalsContact O-CG2 3.23Å; K451-V455 WeakPolarHBondContact O-CG2 3.37Å; K451-V455 PolarHBondContact O-N 3.35Å; V452-V455 PolarHBondContact O-N 3.23Å; E453-V455 PolarHBondContact O-N 3.32Å; V455-E457 VanDerWaalsContact C-N 3.32Å; V455-E457 PolarHBondContact O-N 2.99Å; V455-L458 PolarHBondContact O-N 3.44Å; V455-V459 HydrophobicContact CG1-CG2 4.39Å; V455-V459 VanDerWaalsContact O-CG2 3.29Å; V455-V459 WeakPolarHBondContact O-CG2 3.35Å; V455-V459 PolarHBondContact O-N 2.99Å; V455-L480 HydrophobicContact CG1-CD2 4.39Å; V455-V487 HydrophobicContact CG1-CG1 4.1Å; V455-V487 HydrophobicContact CG2-CB 4.2Å; V455-V487 HydrophobicContact CG2-CG1 4.13Å; V455-V487 HydrophobicContact CG2-CG2 4.04Å; V455-C490 HydrophobicContact CG1-CB 3.77Å
456	Q	92.2	Very high	88.2	Confident	39 Å²	39	60.4 Å²	60.4	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-40.9	177.5	-175.8	-179.4	-31.6	0	0	110.8	V452 E453 L458 V459 D460 I492	V452-Q456 WeakPolarHBondContact O-CB 3.43Å; V452-Q456 PolarHBondContact O-N 2.92Å; E453-Q456 PolarHBondContact O-N 2.87Å; Q456-L458 PolarHBondContact O-N 2.84Å; Q456-V459 WeakPolarHBondContact O-CB 3.45Å; Q456-V459 PolarHBondContact O-N 2.76Å; Q456-V459 VanDerWaalsContact O-N 3.08Å; Q456-D460 PolarHBondContact NE2-OD2 3.42Å; Q456-D460 PolarHBondContact O-N 2.84Å; Q456-I492 HydrophobicContact CB-CD1 4.3Å; Q456-I492 HydrophobicContact CG-CD1 3.97Å
457	E	91.2	Very high	86.3	Confident	97 Å²	97	62.5 Å²	62.5	45%	0.453	31%	0.313	S	S	.	.	H	α-helix	trans	-59	-46.2	175.4	-164.5	-162.9	-139.6	0	0	111.3	R413 E453 V455 V459 D460 L461	R413-E457 IonicContact CZ-OE1 3.6Å; R413-E457 IonicContact CZ-OE2 2.6Å; R413-E457 IonicContact NE-OE2 3.55Å; R413-E457 PolarHBondContact NE-OE2 2.68Å; R413-E457 IonicContact NH2-OE1 2.72Å; R413-E457 PolarHBondContact NH2-OE1 3.07Å; R413-E457 IonicContact NH2-OE2 3.54Å; R413-E457 PolarHBondContact NH2-OE2 3.12Å; E453-E457 PolarHBondContact O-N 2.92Å; V455-E457 VanDerWaalsContact C-N 3.32Å; V455-E457 PolarHBondContact O-N 2.99Å; E457-V459 VanDerWaalsContact C-N 3.29Å; E457-V459 PolarHBondContact O-N 3.48Å; E457-D460 PolarHBondContact O-N 3.4Å; E457-L461 HydrophobicContact CG-CD1 4.15Å; E457-L461 VanDerWaalsContact O-CB 3.3Å; E457-L461 WeakPolarHBondContact O-CB 3.47Å; E457-L461 WeakPolarHBondContact O-CD1 3.25Å; E457-L461 WeakPolarHBondContact O-CG 3.08Å; E457-L461 PolarHBondContact O-N 3.28Å
458	L	91.6	Very high	84.5	Confident	16 Å²	16	60.5 Å²	60.5	8%	0.084	31%	0.31	C	S	.	.	H	α-helix	trans	-60.9	-35.5	173.6	-71.9	-173.9	0	0	0	113.1	R413 F414 I418 D454 V455 Q456 E462	R413-L458 HydrophobicContact CG-CD2 4.33Å; F414-L458 HydrophobicContact CD2-CD1 3.96Å; F414-L458 HydrophobicContact CD2-CD2 4.34Å; F414-L458 HydrophobicContact CE2-CD1 4.31Å; I418-L458 HydrophobicContact CG2-CD1 3.83Å; D454-L458 PolarHBondContact O-N 3.31Å; V455-L458 PolarHBondContact O-N 3.44Å; Q456-L458 PolarHBondContact O-N 2.84Å; L458-E462 PolarHBondContact O-N 3.44Å
459	V	91.4	Very high	83.1	Confident	3 Å²	3	64 Å²	64	2%	0.018	33%	0.332	C	S	.	.	H	α-helix	trans	-71	-48.5	179	169.6	0	0	0	0	111.3	V455 Q456 E457 L461 E462 L463 C490 W533	V455-V459 HydrophobicContact CG1-CG2 4.39Å; V455-V459 VanDerWaalsContact O-CG2 3.29Å; V455-V459 WeakPolarHBondContact O-CG2 3.35Å; V455-V459 PolarHBondContact O-N 2.99Å; Q456-V459 WeakPolarHBondContact O-CB 3.45Å; Q456-V459 PolarHBondContact O-N 2.76Å; Q456-V459 VanDerWaalsContact O-N 3.08Å; E457-V459 VanDerWaalsContact C-N 3.29Å; E457-V459 PolarHBondContact O-N 3.48Å; V459-L461 VanDerWaalsContact C-N 3.29Å; V459-L461 PolarHBondContact O-N 3.22Å; V459-E462 PolarHBondContact O-N 2.91Å; V459-L463 HydrophobicContact CG1-CD1 3.71Å; V459-L463 HydrophobicContact CG1-CG 4.39Å; V459-L463 WeakPolarHBondContact O-CB 3.43Å; V459-L463 VanDerWaalsContact O-CG 3.24Å; V459-L463 WeakPolarHBondContact O-CG 3.37Å; V459-L463 PolarHBondContact O-N 2.77Å; V459-C490 HydrophobicContact CG2-CB 4.49Å; V459-W533 HydrophobicContact CB-CB 4.42Å; V459-W533 HydrophobicContact CB-CG 4.46Å; V459-W533 HydrophobicContact CG1-CB 3.86Å; V459-W533 HydrophobicContact CG1-CG 4.29Å; V459-W533 HydrophobicContact CG2-CB 3.65Å; V459-W533 HydrophobicContact CG2-CD2 3.74Å; V459-W533 HydrophobicContact CG2-CE3 4.1Å; V459-W533 HydrophobicContact CG2-CG 3.56Å
460	D	89.5	Confident	81.6	Confident	14 Å²	14	61.9 Å²	61.9	8%	0.075	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-36.2	178.3	-76.6	-31.6	0	0	0	110.7	Q456 E457 L463 G464 F465 R531	Q456-D460 PolarHBondContact NE2-OD2 3.42Å; Q456-D460 PolarHBondContact O-N 2.84Å; E457-D460 PolarHBondContact O-N 3.4Å; D460-L463 PolarHBondContact O-N 2.93Å; D460-G464 PolarHBondContact O-N 3.38Å; D460-F465 PolarHBondContact O-N 3.15Å; D460-R531 IonicContact OD1-CZ 2.72Å; D460-R531 VanDerWaalsContact OD1-CZ 3.23Å; D460-R531 IonicContact OD1-NE 2.66Å; D460-R531 PolarHBondContact OD1-NE 3.21Å; D460-R531 IonicContact OD1-NH2 2.78Å; D460-R531 PolarHBondContact OD1-NH2 3.08Å; D460-R531 IonicContact OD2-NH2 2.71Å
461	L	87.2	Confident	80.1	Confident	99 Å²	99	61.9 Å²	61.9	52%	0.518	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-42.5	170.2	-73	169.8	0	0	0	113.8	E457 V459 L463 G464	E457-L461 HydrophobicContact CG-CD1 4.15Å; E457-L461 VanDerWaalsContact O-CB 3.3Å; E457-L461 WeakPolarHBondContact O-CB 3.47Å; E457-L461 WeakPolarHBondContact O-CD1 3.25Å; E457-L461 WeakPolarHBondContact O-CG 3.08Å; E457-L461 PolarHBondContact O-N 3.28Å; V459-L461 VanDerWaalsContact C-N 3.29Å; V459-L461 PolarHBondContact O-N 3.22Å; L461-L463 VanDerWaalsContact C-N 3.31Å; L461-L463 PolarHBondContact O-N 2.89Å; L461-G464 PolarHBondContact O-N 3.45Å
462	E	85.6	Confident	78.6	Confident	49 Å²	49	63.4 Å²	63.4	23%	0.229	34%	0.338	C	S	.	.	H	α-helix	trans	-68	-32.1	176.9	-174.7	179.7	140.8	0	0	112.1	L458 V459 W533 K536 R539	L458-E462 PolarHBondContact O-N 3.44Å; V459-E462 PolarHBondContact O-N 2.91Å; E462-W533 PolarHBondContact OE1-NE1 3.29Å; E462-W533 PolarHBondContact OE2-NE1 3.37Å; E462-K536 WeakPolarHBondContact OE1-CE 3.47Å; E462-K536 WeakPolarHBondContact OE1-CG 3.33Å; E462-R539 IonicContact OE1-CZ 3.8Å; E462-R539 IonicContact OE1-NH2 2.67Å; E462-R539 PolarHBondContact OE1-NH2 2.85Å
463	L	81.4	Confident	77.8	Confident	53 Å²	53	66 Å²	66	28%	0.277	36%	0.355	S	S	.	.	H	α-helix	trans	-84.1	-18.4	179.4	-64.7	174.3	0	0	0	113.4	V459 D460 L461 F465 T572	V459-L463 HydrophobicContact CG1-CD1 3.71Å; V459-L463 HydrophobicContact CG1-CG 4.39Å; V459-L463 WeakPolarHBondContact O-CB 3.43Å; V459-L463 VanDerWaalsContact O-CG 3.24Å; V459-L463 WeakPolarHBondContact O-CG 3.37Å; V459-L463 PolarHBondContact O-N 2.77Å; D460-L463 PolarHBondContact O-N 2.93Å; L461-L463 VanDerWaalsContact C-N 3.31Å; L461-L463 PolarHBondContact O-N 2.89Å; L463-F465 HydrophobicContact CB-CD2 3.51Å; L463-F465 HydrophobicContact CB-CE2 3.89Å; L463-F465 HydrophobicContact CD1-CD2 4.02Å; L463-F465 HydrophobicContact CD1-CE2 4.1Å; L463-F465 HydrophobicContact CG-CD2 4.4Å; L463-T572 HydrophobicContact CD2-CG2 4.27Å
464	G	76.3	Confident	77.3	Confident	67 Å²	67	67.5 Å²	67.5	69%	0.691	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	22.5	-177	0	0	0	0	0	114.2	D460 L461	D460-G464 PolarHBondContact O-N 3.38Å; L461-G464 PolarHBondContact O-N 3.45Å
465	F	65.8	Low	77	Confident	73 Å²	73	71 Å²	71	32%	0.32	38%	0.379	S	S	.	.			trans	-90.4	121.3	177.9	-73	-62.6	0	0	0	111.2	D460 L463 Q467	D460-F465 PolarHBondContact O-N 3.15Å; L463-F465 HydrophobicContact CB-CD2 3.51Å; L463-F465 HydrophobicContact CB-CE2 3.89Å; L463-F465 HydrophobicContact CD1-CD2 4.02Å; L463-F465 HydrophobicContact CD1-CE2 4.1Å; L463-F465 HydrophobicContact CG-CD2 4.4Å; F465-Q467 VanDerWaalsContact C-N 3.34Å; F465-Q467 PolarHBondContact O-N 3.03Å
466	Q	59.8	Low	76.9	Confident	168 Å²	168	71.8 Å²	71.8	79%	0.785	38%	0.384	S	S	*	.			trans	-77.3	86.6	167.1	-171.4	61.7	44.6	0	0	109.9	V468	Q466-V468 PolarHBondContact O-N 2.9Å
467	Q	53.3	Low	77.1	Confident	144 Å²	144	72.4 Å²	72.4	67%	0.673	39%	0.386	S	S	*	.			trans	59.8	44.5	156.4	-155.3	173.7	15.1	0	0	116.8	F465 V469	F465-Q467 VanDerWaalsContact C-N 3.34Å; F465-Q467 PolarHBondContact O-N 3.03Å; Q467-V469 HydrophobicContact CG-CG2 4.31Å; Q467-V469 PolarHBondContact O-N 2.93Å
468	V	57.3	Low	77.3	Confident	57 Å²	57	68 Å²	68	35%	0.345	37%	0.366	S	S	.	.			trans	-74.3	89.7	168.3	-176.8	0	0	0	0	109.5	Q466 R531	Q466-V468 PolarHBondContact O-N 2.9Å; V468-R531 PolarHBondContact O-NH2 2.79Å
469	V	64.2	Low	77.6	Confident	76 Å²	76	67.2 Å²	67.2	46%	0.461	36%	0.362	S	S	.	.			trans	-64.6	138.1	177.8	-174.4	0	0	0	0	110.2	Q467	Q467-V469 HydrophobicContact CG-CG2 4.31Å; Q467-V469 PolarHBondContact O-N 2.93Å
470	P	62.9	Low	77.9	Confident	10 Å²	10	67.1 Å²	67.1	7%	0.065	36%	0.361	C	S	.	.			trans	-55	145.5	172.7	-26.1	35.3	0	0	0	112.1	C472 P473 T476 I492	P470-C472 PolarHBondContact O-N 3.46Å; P470-P473 WeakPolarHBondContact O-CD 3.39Å; P470-T476 HydrophobicContact CB-CG2 3.67Å; P470-T476 HydrophobicContact CG-CG2 4.08Å; P470-I492 HydrophobicContact CG-CG2 4.46Å
471	M	61.5	Low	78.3	Confident	129 Å²	129	66.4 Å²	66.4	64%	0.635	36%	0.357	S	S	*	.	S	Bend	trans	-63.6	-19.7	-169.8	-69.8	-66.5	107.8	0	0	113.7	E494	M471-E494 PolarHBondContact N-OE2 2.9Å
472	C	64.7	Low	78.8	Confident	53 Å²	53	62.1 Å²	62.1	36%	0.358	34%	0.335	S	S	.	.			trans	-145.6	87.8	171.7	-83.9	0	0	0	0	110	P470 N474 K475 T476	P470-C472 PolarHBondContact O-N 3.46Å; C472-N474 PolarHBondContact O-N 2.79Å; C472-N474 VanDerWaalsContact O-N 3.16Å; C472-K475 HydrophobicContact CB-CB 3.99Å; C472-K475 HydrophobicContact CB-CD 3.94Å; C472-K475 HydrophobicContact CB-CG 4.06Å; C472-K475 PolarHBondContact O-N 3.05Å; C472-T476 PolarHBondContact O-N 2.81Å
473	P	77.2	Confident	79.3	Confident	68 Å²	68	60.7 Å²	60.7	44%	0.442	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-57.5	-33.9	178.8	23.5	-33.5	0	0	0	111.9	P470 K475 T476	P470-P473 WeakPolarHBondContact O-CD 3.39Å; P473-K475 PolarHBondContact O-N 3.25Å; P473-T476 PolarHBondContact O-N 3.47Å; P473-T476 PolarHBondContact O-OG1 3Å; P473-T476 VanDerWaalsContact O-OG1 3.08Å
474	N	81.9	Confident	79.9	Confident	144 Å²	144	64.9 Å²	64.9	77%	0.77	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-66.4	-0.8	176.3	-62.7	-9.1	0	0	0	114.6	C472	C472-N474 PolarHBondContact O-N 2.79Å; C472-N474 VanDerWaalsContact O-N 3.16Å
475	K	87.6	Confident	80.7	Confident	130 Å²	130	69 Å²	69	57%	0.565	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-127.3	-0.4	179.4	-62.2	-179.5	-177.6	167.8	0	113.9	C472 P473 P495	C472-K475 HydrophobicContact CB-CB 3.99Å; C472-K475 HydrophobicContact CB-CD 3.94Å; C472-K475 HydrophobicContact CB-CG 4.06Å; C472-K475 PolarHBondContact O-N 3.05Å; P473-K475 PolarHBondContact O-N 3.25Å; K475-P495 HydrophobicContact CB-CG 3.82Å; K475-P495 HydrophobicContact CD-CG 4.12Å; K475-P495 WeakPolarHBondContact O-CD 3.19Å
476	T	92.8	Very high	82.1	Confident	19 Å²	19	70.2 Å²	70.2	12%	0.117	35%	0.348	C	S	.	.			trans	-71.8	156.3	-180	58.8	0	0	0	0	112	P442 P470 C472 P473 I492 A493 E494	P442-T476 WeakPolarHBondContact CD-O 3.47Å; P442-T476 WeakPolarHBondContact CG-O 3.27Å; P470-T476 HydrophobicContact CB-CG2 3.67Å; P470-T476 HydrophobicContact CG-CG2 4.08Å; C472-T476 PolarHBondContact O-N 2.81Å; P473-T476 PolarHBondContact O-N 3.47Å; P473-T476 PolarHBondContact O-OG1 3Å; P473-T476 VanDerWaalsContact O-OG1 3.08Å; T476-I492 HydrophobicContact CG2-CG2 3.99Å; T476-A493 CarbonylContact C-O 3.36Å; T476-A493 VanDerWaalsContact CA-O 3.28Å; T476-A493 WeakPolarHBondContact CA-O 3.29Å; T476-E494 HydrophobicContact CG2-CB 4.16Å
477	K	95.2	Very high	83.9	Confident	51 Å²	51	62.2 Å²	62.2	22%	0.222	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.1	171.6	-68.8	-169.9	169	-179	0	107.8	L439 L441 F479 A493 C554 F555	L439-K477 HydrophobicContact CD1-CB 3.98Å; L441-K477 HydrophobicContact CD2-CB 4.44Å; L441-K477 HydrophobicContact CD2-CD 4.09Å; L441-K477 HydrophobicContact CD2-CG 3.73Å; K477-F479 HydrophobicContact CB-CE2 3.82Å; K477-F479 HydrophobicContact CB-CZ 4.47Å; K477-A493 PolarHBondContact N-O 3.43Å; K477-A493 PolarHBondContact O-N 3.3Å; K477-C554 PolarHBondContact NZ-O 3.17Å; K477-C554 VanDerWaalsContact NZ-O 3.1Å; K477-F555 HydrophobicContact CD-CD2 3.94Å; K477-F555 HydrophobicContact CD-CE2 4.26Å; K477-F555 HydrophobicContact CG-CE2 4.49Å; K477-F555 PolarHBondContact NZ-O 2.85Å
478	T	96.7	Very high	85.9	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.1	-176.2	-58.8	0	0	0	0	111.1	V440 V452 L480 L491 I492	V440-T478 PolarHBondContact N-O 3.05Å; V440-T478 PolarHBondContact O-N 2.85Å; V452-T478 HydrophobicContact CB-CG2 4.46Å; V452-T478 HydrophobicContact CG1-CG2 3.89Å; V452-T478 HydrophobicContact CG2-CG2 3.76Å; T478-L480 HydrophobicContact CG2-CD2 3.8Å; T478-L480 HydrophobicContact CG2-CG 4.29Å; T478-L491 CarbonylContact C-O 3.58Å; T478-L491 WeakPolarHBondContact CA-O 3.12Å; T478-I492 HydrophobicContact CG2-CG1 4.07Å
479	F	97.8	Very high	87.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.3	-179.9	-62.8	-99.9	0	0	0	109.2	V429 I437 V438 L439 K477 C490 L491 A493 L547 T550 V551 C554	V429-F479 HydrophobicContact CG2-CD1 4.21Å; V429-F479 HydrophobicContact CG2-CE1 4.41Å; I437-F479 HydrophobicContact CG2-CB 4.07Å; I437-F479 HydrophobicContact CG2-CD1 4.12Å; V438-F479 WeakPolarHBondContact O-CA 3.35Å; L439-F479 HydrophobicContact CB-CD1 4.32Å; L439-F479 HydrophobicContact CB-CE1 4.27Å; L439-F479 HydrophobicContact CD1-CD1 4.17Å; L439-F479 HydrophobicContact CD1-CD2 4.26Å; L439-F479 HydrophobicContact CD1-CE1 3.85Å; L439-F479 HydrophobicContact CD1-CE2 3.93Å; L439-F479 HydrophobicContact CD1-CG 4.38Å; L439-F479 HydrophobicContact CD1-CZ 3.73Å; L439-F479 HydrophobicContact CD2-CE1 4.21Å; L439-F479 HydrophobicContact CD2-CZ 4.35Å; L439-F479 HydrophobicContact CG-CE1 4.33Å; K477-F479 HydrophobicContact CB-CE2 3.82Å; K477-F479 HydrophobicContact CB-CZ 4.47Å; F479-C490 CarbonylContact O-C 3.54Å; F479-C490 WeakPolarHBondContact O-CA 3.35Å; F479-L491 HydrophobicContact CB-CB 4.42Å; F479-L491 PolarHBondContact N-O 3.45Å; F479-L491 PolarHBondContact O-N 2.99Å; F479-A493 HydrophobicContact CE2-CB 4.41Å; F479-L547 HydrophobicContact CB-CD2 3.81Å; F479-T550 HydrophobicContact CD1-CG2 4.03Å; F479-T550 HydrophobicContact CE1-CG2 4.06Å; F479-V551 HydrophobicContact CD2-CG2 3.67Å; F479-V551 HydrophobicContact CE2-CB 4.44Å; F479-V551 HydrophobicContact CE2-CG2 3.64Å; F479-V551 HydrophobicContact CG-CG2 4.2Å; F479-V551 HydrophobicContact CZ-CG2 4.12Å; F479-C554 HydrophobicContact CE1-CB 3.78Å; F479-C554 HydrophobicContact CZ-CB 3.98Å
480	L	98	Very high	89.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123	-179.7	-57.5	-179.8	0	0	0	109.7	I437 V438 V440 V452 V455 T478 I482 V487 C490	I437-L480 WeakPolarHBondContact CA-O 3.48Å; V438-L480 PolarHBondContact N-O 2.82Å; V438-L480 PolarHBondContact O-N 2.96Å; V440-L480 HydrophobicContact CG2-CD1 4.21Å; V452-L480 HydrophobicContact CG2-CD1 4.23Å; V455-L480 HydrophobicContact CG1-CD2 4.39Å; T478-L480 HydrophobicContact CG2-CD2 3.8Å; T478-L480 HydrophobicContact CG2-CG 4.29Å; L480-I482 HydrophobicContact CB-CD1 3.93Å; L480-V487 HydrophobicContact CB-CG1 4.39Å; L480-V487 HydrophobicContact CD2-CG1 4.07Å; L480-C490 HydrophobicContact CD2-CB 4.12Å
481	F	98.3	Very high	91	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.1	171.1	-165.1	-70.9	0	0	0	109.2	F432 D434 I437 D483 V488 G489 I543 L547	F432-F481 AromaticContact CD2-CE2 3.77Å; F432-F481 HydrophobicContact CD2-CE2 3.77Å; F432-F481 HydrophobicContact CD2-CZ 4.19Å; F432-F481 HydrophobicContact CE2-CE2 4.1Å; D434-F481 WeakPolarHBondContact O-CE1 3.43Å; I437-F481 HydrophobicContact CD1-CD2 3.96Å; I437-F481 HydrophobicContact CD1-CE2 4.44Å; I437-F481 HydrophobicContact CG1-CB 4.43Å; I437-F481 HydrophobicContact CG1-CD2 3.53Å; I437-F481 HydrophobicContact CG1-CE2 4.14Å; I437-F481 HydrophobicContact CG1-CG 4.28Å; F481-D483 HydrophobicContact CD1-CB 4.45Å; F481-D483 HydrophobicContact CE1-CB 4.27Å; F481-V488 HydrophobicContact CD1-CG2 3.52Å; F481-V488 HydrophobicContact CE1-CG2 4.18Å; F481-V488 HydrophobicContact CG-CG2 4.43Å; F481-V488 PolarHBondContact O-N 3.33Å; F481-G489 PolarHBondContact N-O 3.08Å; F481-G489 PolarHBondContact O-N 2.84Å; F481-I543 HydrophobicContact CB-CG2 3.88Å; F481-I543 HydrophobicContact CD1-CD1 4.48Å; F481-I543 HydrophobicContact CD1-CG1 4.48Å; F481-I543 HydrophobicContact CD1-CG2 4.26Å; F481-I543 HydrophobicContact CD2-CG2 3.83Å; F481-I543 HydrophobicContact CE1-CD1 4.44Å; F481-I543 HydrophobicContact CE1-CG1 4.32Å; F481-I543 HydrophobicContact CE2-CG1 4.41Å; F481-I543 HydrophobicContact CE2-CG2 4.47Å; F481-I543 HydrophobicContact CG-CG2 3.72Å; F481-I543 HydrophobicContact CZ-CG1 4.3Å; F481-L547 HydrophobicContact CB-CD1 4.38Å; F481-L547 HydrophobicContact CB-CD2 4.23Å; F481-L547 HydrophobicContact CB-CG 4.42Å
482	I	97.6	Very high	92.7	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124	-175.9	-49	-54.6	0	0	0	110.3	Y420 G435 K436 V438 L480 R486 V487	Y420-I482 HydrophobicContact CD1-CD1 4.14Å; Y420-I482 HydrophobicContact CD1-CG1 4.14Å; Y420-I482 HydrophobicContact CD1-CG2 3.59Å; Y420-I482 HydrophobicContact CD2-CD1 3.62Å; Y420-I482 HydrophobicContact CD2-CG1 4.37Å; Y420-I482 HydrophobicContact CE1-CD1 4.42Å; Y420-I482 HydrophobicContact CE1-CG1 4.14Å; Y420-I482 HydrophobicContact CE1-CG2 4.17Å; Y420-I482 HydrophobicContact CE2-CD1 3.95Å; Y420-I482 HydrophobicContact CE2-CG1 4.39Å; Y420-I482 HydrophobicContact CG-CD1 3.72Å; Y420-I482 HydrophobicContact CG-CG1 4.24Å; Y420-I482 HydrophobicContact CG-CG2 4.01Å; G435-I482 CarbonylContact C-O 3.49Å; G435-I482 WeakPolarHBondContact CA-O 3.29Å; K436-I482 HydrophobicContact CG-CB 4.23Å; K436-I482 PolarHBondContact N-O 2.96Å; K436-I482 PolarHBondContact O-N 2.74Å; V438-I482 HydrophobicContact CG2-CG1 4.04Å; L480-I482 HydrophobicContact CB-CD1 3.93Å; I482-R486 WeakPolarHBondContact CA-O 3.35Å; I482-V487 HydrophobicContact CD1-CB 4.35Å; I482-V487 HydrophobicContact CD1-CG2 3.71Å
483	D	95.7	Very high	94.1	Very high	20 Å²	20	40.2 Å²	40.2	11%	0.107	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	135.3	-179.5	176.8	5.6	0	0	0	108	D434 F481 K485 R486 V488 K538	D434-D483 VanDerWaalsContact O-CG 3.29Å; F481-D483 HydrophobicContact CD1-CB 4.45Å; F481-D483 HydrophobicContact CE1-CB 4.27Å; D483-K485 PolarHBondContact O-N 3.43Å; D483-R486 PolarHBondContact N-O 3.37Å; D483-R486 WeakPolarHBondContact O-CA 3.46Å; D483-R486 WeakPolarHBondContact O-CB 3.07Å; D483-R486 PolarHBondContact O-N 3.47Å; D483-R486 VanDerWaalsContact O-O 3.06Å; D483-V488 HydrophobicContact CB-CB 4.4Å; D483-V488 HydrophobicContact CB-CG1 3.98Å; D483-V488 HydrophobicContact CB-CG2 3.51Å; D483-K538 IonicContact OD1-NZ 3.31Å; D483-K538 VanDerWaalsContact OD2-CD 3.28Å; D483-K538 WeakPolarHBondContact OD2-CD 3.3Å; D483-K538 VanDerWaalsContact OD2-CE 3.23Å; D483-K538 WeakPolarHBondContact OD2-CE 3.31Å; D483-K538 IonicContact OD2-NZ 2.72Å; D483-K538 PolarHBondContact OD2-NZ 3.02Å
484	E	93.2	Very high	95	Very high	141 Å²	141	37.3 Å²	37.3	66%	0.659	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	36.9	179.8	-69	164.3	151.9	0	0	115	R486 K538	E484-R486 VanDerWaalsContact C-N 3.31Å; E484-R486 PolarHBondContact O-N 2.71Å; E484-K538 IonicContact OE2-NZ 3.63Å; E484-K538 PolarHBondContact OE2-NZ 3.25Å
485	K	93.5	Very high	95.6	Very high	153 Å²	153	33.6 Å²	33.6	67%	0.665	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	34.2	-172.6	-66.5	-172.5	178.3	-174.1	0	114.2	Y420 D483	Y420-K485 PolarHBondContact N-O 3.37Å; Y420-K485 WeakPolarHBondContact O-CB 3.43Å; D483-K485 PolarHBondContact O-N 3.43Å
486	R	95.2	Very high	95.9	Very high	99 Å²	99	28.8 Å²	28.8	37%	0.374	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.7	176.8	-58.5	176.2	-171.8	-157.4	0.2	111.1	I418 I482 D483 E484 V488	I418-R486 HydrophobicContact CD1-CB 4.15Å; I418-R486 HydrophobicContact CD1-CG 4.34Å; I418-R486 HydrophobicContact CG1-CB 4.42Å; I418-R486 CarbonylContact O-C 3.59Å; I418-R486 VanDerWaalsContact O-CA 3.29Å; I418-R486 WeakPolarHBondContact O-CA 3.17Å; I482-R486 WeakPolarHBondContact CA-O 3.35Å; D483-R486 PolarHBondContact N-O 3.37Å; D483-R486 WeakPolarHBondContact O-CA 3.46Å; D483-R486 WeakPolarHBondContact O-CB 3.07Å; D483-R486 PolarHBondContact O-N 3.47Å; D483-R486 VanDerWaalsContact O-O 3.06Å; E484-R486 VanDerWaalsContact C-N 3.31Å; E484-R486 PolarHBondContact O-N 2.71Å; R486-V488 HydrophobicContact CB-CG1 4.34Å; R486-V488 PolarHBondContact O-N 2.85Å
487	V	97.1	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	106.1	167.9	-174.4	0	0	0	0	108.2	I418 Y420 V455 L480 I482 G489	I418-V487 PolarHBondContact O-N 2.78Å; Y420-V487 HydrophobicContact CD2-CG2 4.21Å; V455-V487 HydrophobicContact CG1-CG1 4.1Å; V455-V487 HydrophobicContact CG2-CB 4.2Å; V455-V487 HydrophobicContact CG2-CG1 4.13Å; V455-V487 HydrophobicContact CG2-CG2 4.04Å; L480-V487 HydrophobicContact CB-CG1 4.39Å; L480-V487 HydrophobicContact CD2-CG1 4.07Å; I482-V487 HydrophobicContact CD1-CB 4.35Å; I482-V487 HydrophobicContact CD1-CG2 3.71Å; V487-G489 WeakPolarHBondContact CG1-O 3.36Å
488	V	96.7	Very high	95.9	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-6	179	-61.9	0	0	0	0	113.1	F481 D483 R486 V534 F535 K538 I543	F481-V488 HydrophobicContact CD1-CG2 3.52Å; F481-V488 HydrophobicContact CE1-CG2 4.18Å; F481-V488 HydrophobicContact CG-CG2 4.43Å; F481-V488 PolarHBondContact O-N 3.33Å; D483-V488 HydrophobicContact CB-CB 4.4Å; D483-V488 HydrophobicContact CB-CG1 3.98Å; D483-V488 HydrophobicContact CB-CG2 3.51Å; R486-V488 HydrophobicContact CB-CG1 4.34Å; R486-V488 PolarHBondContact O-N 2.85Å; V488-V534 WeakPolarHBondContact O-CA 3.12Å; V488-V534 WeakPolarHBondContact O-CG1 3.48Å; V488-F535 HydrophobicContact CB-CB 4.46Å; V488-F535 PolarHBondContact O-N 2.82Å; V488-K538 HydrophobicContact CB-CB 4.34Å; V488-K538 HydrophobicContact CB-CG 4.25Å; V488-K538 HydrophobicContact CG1-CD 4.42Å; V488-K538 HydrophobicContact CG1-CG 4.11Å; V488-I543 HydrophobicContact CG2-CD1 3.99Å
489	G	97.3	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	150.8	170.4	0	0	0	0	0	111.8	F481 V487 W533	F481-G489 PolarHBondContact N-O 3.08Å; F481-G489 PolarHBondContact O-N 2.84Å; V487-G489 WeakPolarHBondContact CG1-O 3.36Å; G489-W533 CarbonylContact C-O 3.26Å; G489-W533 VanDerWaalsContact CA-O 3.25Å; G489-W533 WeakPolarHBondContact CA-O 3.32Å
490	C	97	Very high	95.7	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	138.3	179.8	-177.6	0	0	0	0	108.9	V455 V459 F479 L480 W533	V455-C490 HydrophobicContact CG1-CB 3.77Å; V459-C490 HydrophobicContact CG2-CB 4.49Å; F479-C490 CarbonylContact O-C 3.54Å; F479-C490 WeakPolarHBondContact O-CA 3.35Å; L480-C490 HydrophobicContact CD2-CB 4.12Å; C490-W533 HydrophobicContact CB-CE3 4.17Å; C490-W533 PolarHBondContact N-O 2.95Å; C490-W533 PolarHBondContact O-N 3.32Å
491	L	97.2	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	121.5	171.5	-169	170.3	0	0	0	108.7	T478 F479 A493 I529 R531 I532 L547 V548 V551	T478-L491 CarbonylContact C-O 3.58Å; T478-L491 WeakPolarHBondContact CA-O 3.12Å; F479-L491 HydrophobicContact CB-CB 4.42Å; F479-L491 PolarHBondContact N-O 3.45Å; F479-L491 PolarHBondContact O-N 2.99Å; L491-A493 HydrophobicContact CD2-CB 3.98Å; L491-I529 HydrophobicContact CD1-CD1 4.45Å; L491-I529 HydrophobicContact CD1-CG2 4.47Å; L491-I529 HydrophobicContact CD2-CG1 4.26Å; L491-I529 HydrophobicContact CD2-CG2 4Å; L491-I529 HydrophobicContact CG-CG2 4.05Å; L491-R531 CarbonylContact C-O 3.47Å; L491-R531 VanDerWaalsContact CA-O 3.3Å; L491-R531 WeakPolarHBondContact CA-O 3.2Å; L491-I532 HydrophobicContact CB-CG1 4.43Å; L491-I532 HydrophobicContact CD1-CD1 3.85Å; L491-I532 HydrophobicContact CD1-CG1 4.14Å; L491-I532 HydrophobicContact CG-CB 4.23Å; L491-I532 HydrophobicContact CG-CD1 4.36Å; L491-I532 HydrophobicContact CG-CG1 4.14Å; L491-L547 HydrophobicContact CB-CB 4.19Å; L491-L547 HydrophobicContact CB-CD1 4.38Å; L491-L547 HydrophobicContact CB-CD2 4.4Å; L491-L547 HydrophobicContact CD1-CB 3.8Å; L491-V548 HydrophobicContact CD1-CG2 3.76Å; L491-V551 HydrophobicContact CD1-CG2 3.72Å; L491-V551 HydrophobicContact CD2-CG2 3.56Å; L491-V551 HydrophobicContact CG-CG2 4.24Å
492	I	95.5	Very high	95.3	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.3	175.1	-54.1	178.4	0	0	0	107.7	Q456 P470 T476 T478 S530 R531	Q456-I492 HydrophobicContact CB-CD1 4.3Å; Q456-I492 HydrophobicContact CG-CD1 3.97Å; P470-I492 HydrophobicContact CG-CG2 4.46Å; T476-I492 HydrophobicContact CG2-CG2 3.99Å; T478-I492 HydrophobicContact CG2-CG1 4.07Å; I492-S530 WeakPolarHBondContact O-CB 3.43Å; I492-S530 PolarHBondContact O-N 2.6Å; I492-R531 HydrophobicContact CB-CB 4.15Å; I492-R531 HydrophobicContact CD1-CB 4.21Å; I492-R531 HydrophobicContact CD1-CG 4.2Å; I492-R531 HydrophobicContact CG1-CB 4.17Å; I492-R531 PolarHBondContact N-O 3.04Å; I492-R531 PolarHBondContact O-N 2.75Å
493	A	95.6	Very high	94.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.7	178.7	0	0	0	0	0	111	T476 K477 F479 L491 G528 V551 F555	T476-A493 CarbonylContact C-O 3.36Å; T476-A493 VanDerWaalsContact CA-O 3.28Å; T476-A493 WeakPolarHBondContact CA-O 3.29Å; K477-A493 PolarHBondContact N-O 3.43Å; K477-A493 PolarHBondContact O-N 3.3Å; F479-A493 HydrophobicContact CE2-CB 4.41Å; L491-A493 HydrophobicContact CD2-CB 3.98Å; A493-G528 CarbonylContact C-O 3.59Å; A493-G528 VanDerWaalsContact CA-O 3.25Å; A493-G528 WeakPolarHBondContact CA-O 3.45Å; A493-V551 HydrophobicContact CB-CG1 4.28Å; A493-V551 HydrophobicContact CB-CG2 4.44Å; A493-F555 HydrophobicContact CB-CD2 3.81Å; A493-F555 HydrophobicContact CB-CE2 3.78Å
494	E	94.3	Very high	94	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.3	178.4	75	-166.1	130.2	0	0	111.5	M471 T476 I496 G528 S530 Y591	M471-E494 PolarHBondContact N-OE2 2.9Å; T476-E494 HydrophobicContact CG2-CB 4.16Å; E494-I496 HydrophobicContact CG-CG2 4.3Å; E494-I496 PolarHBondContact O-N 3.49Å; E494-G528 PolarHBondContact N-O 2.83Å; E494-G528 PolarHBondContact O-N 3.31Å; E494-S530 WeakPolarHBondContact OE1-CB 3.46Å; E494-S530 PolarHBondContact OE1-OG 3.44Å; E494-Y591 HydrophobicContact CG-CE2 4.4Å; E494-Y591 WeakPolarHBondContact OE1-CE2 3.1Å; E494-Y591 PolarHBondContact OE1-OH 2.72Å
495	P	95	Very high	92.7	Very high	65 Å²	65	43.6 Å²	43.6	42%	0.422	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	124.3	179.8	29.3	-32.9	0	0	0	110.7	K475 F555	K475-P495 HydrophobicContact CB-CG 3.82Å; K475-P495 HydrophobicContact CD-CG 4.12Å; K475-P495 WeakPolarHBondContact O-CD 3.19Å; P495-F555 HydrophobicContact CB-CZ 4.08Å
496	I	94.5	Very high	91	Very high	29 Å²	29	40 Å²	40	15%	0.149	20%	0.196	C	C	.	.			trans	-114.1	174.4	175.4	62.6	175.6	0	0	0	110.1	E494 A499 A525 I526 A567 Y591	E494-I496 HydrophobicContact CG-CG2 4.3Å; E494-I496 PolarHBondContact O-N 3.49Å; I496-A499 HydrophobicContact CD1-CB 4.29Å; I496-A525 CarbonylContact C-O 3.6Å; I496-A525 HydrophobicContact CD1-CB 3.69Å; I496-A525 HydrophobicContact CG1-CB 4.14Å; I496-A525 VanDerWaalsContact O-O 3.12Å; I496-I526 PolarHBondContact N-O 3.1Å; I496-I526 VanDerWaalsContact N-O 3.1Å; I496-A567 HydrophobicContact CD1-CB 3.7Å; I496-Y591 HydrophobicContact CD1-CD1 4.27Å; I496-Y591 HydrophobicContact CD1-CG 4.35Å; I496-Y591 HydrophobicContact CG2-CD2 3.87Å; I496-Y591 HydrophobicContact CG2-CE2 3.77Å; I496-Y591 HydrophobicContact CG2-CG 4.39Å
497	K	94	Very high	89.1	Confident	192 Å²	192	41.2 Å²	41.2	84%	0.835	22%	0.22	S	C	*	.	S	Bend	trans	-117.6	-31.8	173.6	-66	-176.3	177	-177	0	112.9	A525	K497-A525 CarbonylContact C-O 3.59Å; K497-A525 WeakPolarHBondContact CA-O 3.4Å; K497-A525 PolarHBondContact O-N 2.79Å
498	Q	94.6	Very high	86.8	Confident	107 Å²	107	46.8 Å²	46.8	50%	0.5	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.9	-173.1	65.4	-175.2	1.5	0	0	110.5	P522 E523	Q498-P522 HydrophobicContact CB-CB 4.19Å; Q498-E523 CarbonylContact C-O 3.35Å; Q498-E523 VanDerWaalsContact CA-O 3.27Å; Q498-E523 WeakPolarHBondContact CA-O 3.48Å
499	A	95.5	Very high	84.6	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	173.2	173	0	0	0	0	0	109.6	I496 E523 A525 A567 L589 V590	I496-A499 HydrophobicContact CD1-CB 4.29Å; A499-E523 PolarHBondContact N-O 3.37Å; A499-E523 PolarHBondContact O-N 2.89Å; A499-A525 HydrophobicContact CB-CB 3.75Å; A499-A567 HydrophobicContact CB-CB 3.35Å; A499-L589 HydrophobicContact CB-CB 3.9Å; A499-L589 HydrophobicContact CB-CD1 4.4Å; A499-L589 HydrophobicContact CB-CD2 4.26Å; A499-L589 HydrophobicContact CB-CG 4.42Å; A499-V590 CarbonylContact C-O 3.48Å; A499-V590 WeakPolarHBondContact CA-O 3.44Å; A499-V590 WeakPolarHBondContact CB-O 3.35Å
500	F	95.1	Very high	82.3	Confident	40 Å²	40	62.3 Å²	62.3	18%	0.175	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.7	-171.1	-56.6	-101.5	0	0	0	109.7	C518 S519 P522 L589 V590 F593	F500-C518 HydrophobicContact CB-CB 3.94Å; F500-S519 WeakPolarHBondContact CB-O 3.44Å; F500-S519 VanDerWaalsContact CD1-O 3.28Å; F500-S519 WeakPolarHBondContact CD1-O 3.28Å; F500-P522 HydrophobicContact CD1-CB 4.3Å; F500-P522 HydrophobicContact CE1-CB 3.74Å; F500-P522 HydrophobicContact CE1-CG 4.41Å; F500-P522 HydrophobicContact CZ-CB 3.99Å; F500-L589 CarbonylContact O-C 3.49Å; F500-L589 WeakPolarHBondContact O-CA 3.28Å; F500-V590 PolarHBondContact N-O 2.92Å; F500-V590 VanDerWaalsContact O-CG2 3.29Å; F500-V590 WeakPolarHBondContact O-CG2 3.22Å; F500-V590 PolarHBondContact O-N 2.84Å; F500-F593 HydrophobicContact CB-CE1 3.84Å; F500-F593 HydrophobicContact CB-CZ 4.02Å; F500-F593 HydrophobicContact CD1-CZ 4.18Å; F500-F593 AromaticContact CD2-CE1 3.38Å; F500-F593 HydrophobicContact CD2-CE1 3.38Å; F500-F593 AromaticContact CD2-CZ 3.46Å; F500-F593 HydrophobicContact CD2-CZ 3.46Å; F500-F593 VanDerWaalsContact CD2-CZ 3.46Å; F500-F593 HydrophobicContact CE2-CE1 4.08Å; F500-F593 AromaticContact CE2-CZ 3.86Å; F500-F593 HydrophobicContact CE2-CZ 3.86Å; F500-F593 AromaticContact CG-CE1 3.76Å; F500-F593 HydrophobicContact CG-CE1 3.76Å; F500-F593 AromaticContact CG-CZ 3.63Å; F500-F593 HydrophobicContact CG-CZ 3.63Å; F500-F593 HydrophobicContact CZ-CZ 4.36Å
501	R	94.4	Very high	79.9	Confident	61 Å²	61	69.1 Å²	69.1	23%	0.23	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133.1	-178.7	-71.9	-166.5	-169.4	-78.7	-10.3	111.8	C518 S519 E523 N587 L589	R501-C518 CarbonylContact O-C 3.47Å; R501-C518 WeakPolarHBondContact O-CA 3.43Å; R501-S519 PolarHBondContact O-N 3.47Å; R501-E523 WeakPolarHBondContact CD-OE1 3.37Å; R501-E523 IonicContact CZ-OE1 2.63Å; R501-E523 IonicContact CZ-OE2 2.66Å; R501-E523 VanDerWaalsContact NE-CD 3.26Å; R501-E523 IonicContact NE-OE1 2.59Å; R501-E523 PolarHBondContact NE-OE1 3.09Å; R501-E523 IonicContact NE-OE2 3.43Å; R501-E523 PolarHBondContact NE-OE2 3.32Å; R501-E523 IonicContact NH2-OE1 3.03Å; R501-E523 IonicContact NH2-OE2 2.68Å; R501-E523 PolarHBondContact NH2-OE2 3.29Å; R501-N587 PolarHBondContact NH1-O 3.1Å; R501-L589 HydrophobicContact CB-CD2 4.44Å; R501-L589 HydrophobicContact CG-CD2 3.6Å; R501-L589 HydrophobicContact CG-CG 4.47Å
502	V	92.6	Very high	77.2	Confident	6 Å²	6	71.1 Å²	71.1	4%	0.036	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	140.7	165.1	178.2	0	0	0	0	109.5	W516 N587 F588 V590	V502-W516 HydrophobicContact CG1-CB 4.47Å; V502-N587 VanDerWaalsContact O-CA 3.22Å; V502-N587 WeakPolarHBondContact O-CA 3.29Å; V502-N587 VanDerWaalsContact O-CB 3.28Å; V502-N587 WeakPolarHBondContact O-CB 3.5Å; V502-N587 PolarHBondContact O-OD1 3.27Å; V502-F588 HydrophobicContact CG2-CD2 4.2Å; V502-F588 HydrophobicContact CG2-CE1 4.31Å; V502-F588 HydrophobicContact CG2-CE2 3.85Å; V502-F588 HydrophobicContact CG2-CZ 3.9Å; V502-F588 PolarHBondContact N-O 2.98Å; V502-V590 HydrophobicContact CG2-CB 4.31Å; V502-V590 HydrophobicContact CG2-CG1 3.5Å; V502-V590 VanDerWaalsContact CG2-CG1 3.5Å; V502-V590 HydrophobicContact CG2-CG2 3.83Å
503	L	88	Confident	75	Confident	15 Å²	15	71.5 Å²	71.5	8%	0.079	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-102.5	135.8	177.4	-59.1	-179.6	0	0	0	110.6	P202 R203 V204 R517 C518	P202-L503 HydrophobicContact CB-CD1 4.1Å; P202-L503 HydrophobicContact CB-CD2 3.89Å; P202-L503 HydrophobicContact CG-CD2 3.95Å; R203-L503 WeakPolarHBondContact O-CD1 3.49Å; V204-L503 HydrophobicContact CG2-CB 3.72Å; L503-R517 HydrophobicContact CD1-CB 4.44Å; L503-R517 PolarHBondContact N-O 3.13Å; L503-C518 VanDerWaalsContact CD1-O 3.29Å; L503-C518 WeakPolarHBondContact CD1-O 3.23Å
504	S	77.9	Confident	73.2	Confident	50 Å²	50	77.1 Å²	77.1	35%	0.35	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-84.5	131.3	179.3	-69.1	0	0	0	0	111.5	V204 P586 N587	V204-S504 VanDerWaalsContact CG2-O 3.27Å; V204-S504 WeakPolarHBondContact CG2-O 3.07Å; S504-P586 VanDerWaalsContact OG-CB 3.28Å; S504-P586 WeakPolarHBondContact OG-CB 3.34Å; S504-P586 WeakPolarHBondContact OG-CG 3.39Å; S504-N587 PolarHBondContact N-OD1 2.79Å; S504-N587 PolarHBondContact OG-OD1 2.72Å
505	E	66.6	Low	72	Confident	84 Å²	84	79 Å²	79	39%	0.393	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-60.6	127.9	-179.9	-73.5	-176.5	144.7	0	0	111.4	V204 S206 S507 S513	V204-E505 HydrophobicContact CB-CG 4.1Å; V204-E505 HydrophobicContact CG1-CG 3.5Å; S206-E505 WeakPolarHBondContact CA-OE1 3.34Å; S206-E505 WeakPolarHBondContact CB-OE1 3.48Å; E505-S507 PolarHBondContact O-N 3.22Å; E505-S513 PolarHBondContact OE1-OG 2.55Å; E505-S513 VanDerWaalsContact OE1-OG 3.08Å
506	P	57.3	Low	71	Confident	77 Å²	77	80.4 Å²	80.4	50%	0.5	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-64.4	135.7	170.5	27.7	-33.3	0	0	0	109.5	T508	P506-T508 PolarHBondContact O-N 3.3Å
507	S	54.5	Low	70.6	Confident	126 Å²	126	83.6 Å²	83.6	88%	0.881	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	14.9	-162.9	50.4	0	0	0	0	116.3	E505	E505-S507 PolarHBondContact O-N 3.22Å
508	T	48.5	Very low	70.3	Confident	117 Å²	117	75.5 Å²	75.5	72%	0.718	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-17.1	-160.7	51.1	0	0	0	0	115.7	P506	P506-T508 PolarHBondContact O-N 3.3Å
509	T	50.6	Low	70.1	Confident	110 Å²	110	71.8 Å²	71.8	68%	0.675	38%	0.377	S	S	*	.			trans	-116.1	131.8	178.9	54.5	0	0	0	0	112.2	E511	T509-E511 VanDerWaalsContact C-N 3.28Å; T509-E511 PolarHBondContact O-N 3.16Å
510	K	49.7	Very low	69.9	Low	217 Å²	217	78.7 Å²	78.7	94%	0.943	41%	0.414	S	S	*	.			trans	-83.1	2.3	-173.3	-69	179.3	178.8	173.5	0	114.4	C512	K510-C512 PolarHBondContact O-N 2.66Å
511	E	46.1	Very low	69.8	Low	145 Å²	145	81.2 Å²	81.2	68%	0.678	43%	0.433	S	S	*	.			trans	-84.5	95.1	-177.6	-63.5	-153.8	124.6	0	0	111.6	T509 S513	T509-E511 VanDerWaalsContact C-N 3.28Å; T509-E511 PolarHBondContact O-N 3.16Å; E511-S513 VanDerWaalsContact O-CB 3.29Å; E511-S513 WeakPolarHBondContact O-CB 3.43Å; E511-S513 PolarHBondContact O-N 2.92Å; E511-S513 PolarHBondContact O-OG 2.86Å
512	C	41.1	Very low	69.8	Low	42 Å²	42	81.4 Å²	81.4	28%	0.284	44%	0.442	S	S	.	.			trans	-60.2	133.8	-175.6	173.4	0	0	0	0	113.4	R210 K510	R210-C512 WeakPolarHBondContact CD-SG 3.43Å; R210-C512 VanDerWaalsContact CG-SG 3.59Å; R210-C512 PolarHBondContact NE-SG 3Å; K510-C512 PolarHBondContact O-N 2.66Å
513	S	48.4	Very low	70	Confident	11 Å²	11	83.7 Å²	83.7	8%	0.077	45%	0.452	C	S	.	.			trans	-148.9	115.4	-157.2	40.7	0	0	0	0	108.9	S206 Q207 E505 E511	S206-S513 WeakPolarHBondContact CB-OG 3.07Å; Q207-S513 VanDerWaalsContact N-CA 3.26Å; E505-S513 PolarHBondContact OE1-OG 2.55Å; E505-S513 VanDerWaalsContact OE1-OG 3.08Å; E511-S513 VanDerWaalsContact O-CB 3.29Å; E511-S513 WeakPolarHBondContact O-CB 3.43Å; E511-S513 PolarHBondContact O-N 2.92Å; E511-S513 PolarHBondContact O-OG 2.86Å
514	R	58.4	Low	70.4	Confident	117 Å²	117	88.2 Å²	88.2	44%	0.442	48%	0.482	S	S	.	.			trans	-93.6	-24.4	-157.7	-163.6	-169.7	-167.2	-171.4	9.2	116.2	Q207 K208 I209 W516	Q207-R514 VanDerWaalsContact C-N 3.34Å; K208-R514 WeakPolarHBondContact O-CB 3.22Å; K208-R514 WeakPolarHBondContact O-CD 3.47Å; I209-R514 VanDerWaalsContact O-CD 3.25Å; I209-R514 WeakPolarHBondContact O-CD 3.47Å; I209-R514 PolarHBondContact O-NE 2.79Å; R514-W516 VanDerWaalsContact O-CE2 3.24Å; R514-W516 WeakPolarHBondContact O-CZ2 3.23Å
515	A	68.8	Low	71.2	Confident	47 Å²	47	86 Å²	86	39%	0.388	47%	0.467	S	S	.	.			trans	-69.2	164.6	166.5	0	0	0	0	0	110.1	S206 Q207	S206-A515 WeakPolarHBondContact CA-O 3.34Å; S206-A515 PolarHBondContact N-O 3.28Å; Q207-A515 WeakPolarHBondContact O-CB 3.49Å; Q207-A515 PolarHBondContact O-N 2.86Å
516	W	74.6	Confident	72.6	Confident	96 Å²	96	84.5 Å²	84.5	36%	0.364	46%	0.461	S	S	.	.			trans	-145.2	128.3	179	-4.8	84.5	0	0	0	109.5	L205 V502 R514 K576	L205-W516 CarbonylContact O-C 3.54Å; L205-W516 VanDerWaalsContact O-C 3.26Å; L205-W516 VanDerWaalsContact O-CA 3.23Å; L205-W516 WeakPolarHBondContact O-CA 3.25Å; V502-W516 HydrophobicContact CG1-CB 4.47Å; R514-W516 VanDerWaalsContact O-CE2 3.24Å; R514-W516 WeakPolarHBondContact O-CZ2 3.23Å; W516-K576 HydrophobicContact CD2-CD 3.58Å; W516-K576 VanDerWaalsContact CE2-CD 3.4Å; W516-K576 HydrophobicContact CE3-CD 4Å; W516-K576 HydrophobicContact CG-CD 4Å; W516-K576 HydrophobicContact CH2-CD 4.02Å; W516-K576 HydrophobicContact CZ2-CD 3.64Å; W516-K576 HydrophobicContact CZ3-CD 4.19Å
517	R	85	Confident	74.4	Confident	95 Å²	95	80.8 Å²	80.8	36%	0.358	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-71.1	148.5	174.6	-84.7	-170.4	-157.6	143.7	-0.7	111.3	R203 V204 L205 L503	R203-R517 VanDerWaalsContact C-NH1 3.33Å; R203-R517 PolarHBondContact O-NH1 3.41Å; V204-R517 VanDerWaalsContact C-CZ 3.41Å; V204-R517 VanDerWaalsContact C-NH1 3.26Å; V204-R517 HydrophobicContact CG1-CB 4.46Å; V204-R517 VanDerWaalsContact N-NH1 3.13Å; V204-R517 PolarHBondContact O-NH1 2.98Å; L205-R517 HydrophobicContact CB-CG 4.12Å; L205-R517 PolarHBondContact O-N 3.1Å; L503-R517 HydrophobicContact CD1-CB 4.44Å; L503-R517 PolarHBondContact N-O 3.13Å
518	C	89.2	Confident	76.4	Confident	23 Å²	23	74.8 Å²	74.8	16%	0.155	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	169.7	154.6	45.9	0	0	0	0	110.8	F500 R501 L503 V590 F593	F500-C518 HydrophobicContact CB-CB 3.94Å; R501-C518 CarbonylContact O-C 3.47Å; R501-C518 WeakPolarHBondContact O-CA 3.43Å; L503-C518 VanDerWaalsContact CD1-O 3.29Å; L503-C518 WeakPolarHBondContact CD1-O 3.23Å; C518-V590 HydrophobicContact CB-CG2 4.1Å; C518-F593 HydrophobicContact CB-CE1 4.14Å; C518-F593 HydrophobicContact CB-CZ 4.2Å; C518-F593 WeakPolarHBondContact SG-CE2 3.14Å; C518-F593 WeakPolarHBondContact SG-CZ 3.43Å
519	S	90.6	Very high	78.6	Confident	28 Å²	28	69.4 Å²	69.4	20%	0.196	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	145.5	160.2	-175.1	0	0	0	0	109.6	F500 R501 V521	F500-S519 WeakPolarHBondContact CB-O 3.44Å; F500-S519 VanDerWaalsContact CD1-O 3.28Å; F500-S519 WeakPolarHBondContact CD1-O 3.28Å; R501-S519 PolarHBondContact O-N 3.47Å; S519-V521 PolarHBondContact O-N 2.88Å; S519-V521 PolarHBondContact OG-N 3.36Å
520	D	90	Very high	80.6	Confident	145 Å²	145	64.4 Å²	64.4	78%	0.775	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	-14.6	172.6	-43.8	-63.7	0	0	0	111.9	P522	D520-P522 WeakPolarHBondContact O-CD 3.47Å
521	V	94	Very high	82.6	Confident	93 Å²	93	55.1 Å²	55.1	56%	0.564	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.9	179.7	-177.1	0	0	0	0	110.4	S519	S519-V521 PolarHBondContact O-N 2.88Å; S519-V521 PolarHBondContact OG-N 3.36Å
522	P	93.9	Very high	85	Confident	65 Å²	65	50 Å²	50	42%	0.422	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	134.1	172	30.1	-32.9	0	0	0	110.8	Q498 F500 D520	Q498-P522 HydrophobicContact CB-CB 4.19Å; F500-P522 HydrophobicContact CD1-CB 4.3Å; F500-P522 HydrophobicContact CE1-CB 3.74Å; F500-P522 HydrophobicContact CE1-CG 4.41Å; F500-P522 HydrophobicContact CZ-CB 3.99Å; D520-P522 WeakPolarHBondContact O-CD 3.47Å
523	E	96	Very high	87.6	Confident	54 Å²	54	48.4 Å²	48.4	25%	0.252	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	146.4	170.3	-68.1	-172.2	-168.8	0	0	110.3	Q498 A499 R501 A525 L589	Q498-E523 CarbonylContact C-O 3.35Å; Q498-E523 VanDerWaalsContact CA-O 3.27Å; Q498-E523 WeakPolarHBondContact CA-O 3.48Å; A499-E523 PolarHBondContact N-O 3.37Å; A499-E523 PolarHBondContact O-N 2.89Å; R501-E523 WeakPolarHBondContact CD-OE1 3.37Å; R501-E523 IonicContact CZ-OE1 2.63Å; R501-E523 IonicContact CZ-OE2 2.66Å; R501-E523 VanDerWaalsContact NE-CD 3.26Å; R501-E523 IonicContact NE-OE1 2.59Å; R501-E523 PolarHBondContact NE-OE1 3.09Å; R501-E523 IonicContact NE-OE2 3.43Å; R501-E523 PolarHBondContact NE-OE2 3.32Å; R501-E523 IonicContact NH2-OE1 3.03Å; R501-E523 IonicContact NH2-OE2 2.68Å; R501-E523 PolarHBondContact NH2-OE2 3.29Å; E523-A525 PolarHBondContact O-N 2.9Å; E523-L589 HydrophobicContact CB-CD2 4.12Å
524	P	96.4	Very high	90	Very high	110 Å²	110	48.5 Å²	48.5	71%	0.714	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	130.7	178.6	27.8	-34.5	0	0	0	111
525	A	95.5	Very high	91.7	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	24%	0.237	C	C	.	.			trans	-142.6	149.2	176.7	0	0	0	0	0	110	I496 K497 A499 E523 L589	I496-A525 CarbonylContact C-O 3.6Å; I496-A525 HydrophobicContact CD1-CB 3.69Å; I496-A525 HydrophobicContact CG1-CB 4.14Å; I496-A525 VanDerWaalsContact O-O 3.12Å; K497-A525 CarbonylContact C-O 3.59Å; K497-A525 WeakPolarHBondContact CA-O 3.4Å; K497-A525 PolarHBondContact O-N 2.79Å; A499-A525 HydrophobicContact CB-CB 3.75Å; E523-A525 PolarHBondContact O-N 2.9Å; A525-L589 HydrophobicContact CB-CD1 4.32Å
526	I	95.3	Very high	92.8	Very high	53 Å²	53	46 Å²	46	27%	0.272	24%	0.239	S	C	.	.	S	Bend	trans	-106.5	-39.1	-171.8	-58.6	179.9	0	0	0	111	I496 F555 M556 L561 E565	I496-I526 PolarHBondContact N-O 3.1Å; I496-I526 VanDerWaalsContact N-O 3.1Å; I526-F555 HydrophobicContact CG2-CD1 4.36Å; I526-F555 HydrophobicContact CG2-CE1 4.19Å; I526-M556 HydrophobicContact CD1-CE 4.1Å; I526-L561 HydrophobicContact CB-CD2 4.33Å; I526-L561 HydrophobicContact CD1-CD2 4.04Å; I526-L561 HydrophobicContact CG2-CD2 4.25Å; I526-E565 HydrophobicContact CB-CB 4.34Å; I526-E565 HydrophobicContact CD1-CB 4.26Å; I526-E565 HydrophobicContact CD1-CG 4.01Å; I526-E565 VanDerWaalsContact CD1-OE1 3.27Å; I526-E565 WeakPolarHBondContact CD1-OE1 3.21Å; I526-E565 HydrophobicContact CG1-CB 4.21Å; I526-E565 HydrophobicContact CG1-CG 4.25Å; I526-E565 PolarHBondContact N-O 3.48Å
527	C	96	Very high	93.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.3	-171.5	-171.5	0	0	0	0	111.9	V551 F555 L561 E565 I566 A567	C527-V551 WeakPolarHBondContact SG-CG1 3.07Å; C527-F555 HydrophobicContact CB-CD1 3.78Å; C527-F555 HydrophobicContact CB-CD2 4.47Å; C527-F555 HydrophobicContact CB-CE1 3.89Å; C527-F555 HydrophobicContact CB-CG 4.09Å; C527-F555 HydrophobicContact CB-CZ 4.3Å; C527-F555 WeakPolarHBondContact SG-CD2 3.4Å; C527-F555 VanDerWaalsContact SG-CG 3.56Å; C527-L561 HydrophobicContact CB-CD1 3.66Å; C527-E565 PolarHBondContact N-O 3.2Å; C527-I566 CarbonylContact O-C 3.46Å; C527-I566 WeakPolarHBondContact O-CA 3.36Å; C527-A567 PolarHBondContact O-N 3.06Å
528	G	95.5	Very high	94.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121	170.7	0	0	0	0	0	110.9	A493 E494 S530 Y591	A493-G528 CarbonylContact C-O 3.59Å; A493-G528 VanDerWaalsContact CA-O 3.25Å; A493-G528 WeakPolarHBondContact CA-O 3.45Å; E494-G528 PolarHBondContact N-O 2.83Å; E494-G528 PolarHBondContact O-N 3.31Å; G528-S530 PolarHBondContact O-N 3.37Å; G528-Y591 VanDerWaalsContact C-OH 3.29Å; G528-Y591 WeakPolarHBondContact CA-OH 3.31Å; G528-Y591 PolarHBondContact O-OH 3.42Å
529	I	95.9	Very high	94.4	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	95.7	169.4	-62.2	175.4	0	0	0	107.4	L491 I532 V548 I566 A567 F568 S569	L491-I529 HydrophobicContact CD1-CD1 4.45Å; L491-I529 HydrophobicContact CD1-CG2 4.47Å; L491-I529 HydrophobicContact CD2-CG1 4.26Å; L491-I529 HydrophobicContact CD2-CG2 4Å; L491-I529 HydrophobicContact CG-CG2 4.05Å; I529-I532 HydrophobicContact CG2-CB 3.86Å; I529-I532 HydrophobicContact CG2-CG2 4.12Å; I529-V548 HydrophobicContact CD1-CG1 4.17Å; I529-V548 HydrophobicContact CD1-CG2 3.84Å; I529-I566 HydrophobicContact CD1-CG2 3.5Å; I529-I566 HydrophobicContact CG1-CG2 3.89Å; I529-A567 PolarHBondContact N-O 3.42Å; I529-F568 HydrophobicContact CB-CD1 3.93Å; I529-F568 HydrophobicContact CB-CE1 4.32Å; I529-F568 HydrophobicContact CD1-CD1 3.99Å; I529-F568 HydrophobicContact CD1-CE1 3.5Å; I529-F568 VanDerWaalsContact CD1-CE1 3.5Å; I529-F568 HydrophobicContact CD1-CZ 3.88Å; I529-F568 HydrophobicContact CG1-CE1 4.47Å; I529-F568 HydrophobicContact CG2-CD1 3.99Å; I529-F568 HydrophobicContact CG2-CE1 4.29Å; I529-S569 PolarHBondContact O-N 3.21Å; I529-S569 PolarHBondContact O-OG 2.81Å
530	S	92.5	Very high	94.6	Very high	6 Å²	6	53.3 Å²	53.3	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-31.9	-175.3	-157.2	0	0	0	0	112.5	I492 E494 G528 S569 Y591	I492-S530 WeakPolarHBondContact O-CB 3.43Å; I492-S530 PolarHBondContact O-N 2.6Å; E494-S530 WeakPolarHBondContact OE1-CB 3.46Å; E494-S530 PolarHBondContact OE1-OG 3.44Å; G528-S530 PolarHBondContact O-N 3.37Å; S530-S569 VanDerWaalsContact CA-OG 3.32Å; S530-S569 WeakPolarHBondContact CA-OG 3.49Å; S530-S569 PolarHBondContact O-OG 2.83Å; S530-Y591 VanDerWaalsContact CA-OH 3.22Å; S530-Y591 WeakPolarHBondContact CA-OH 3.29Å; S530-Y591 WeakPolarHBondContact CB-OH 3.44Å; S530-Y591 PolarHBondContact N-OH 3.36Å
531	R	92.3	Very high	94.9	Very high	21 Å²	21	51.8 Å²	51.8	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.7	167.5	-67.1	-61.5	-174.8	-70.7	-12.8	110.1	D460 V468 L491 I492	D460-R531 IonicContact OD1-CZ 2.72Å; D460-R531 VanDerWaalsContact OD1-CZ 3.23Å; D460-R531 IonicContact OD1-NE 2.66Å; D460-R531 PolarHBondContact OD1-NE 3.21Å; D460-R531 IonicContact OD1-NH2 2.78Å; D460-R531 PolarHBondContact OD1-NH2 3.08Å; D460-R531 IonicContact OD2-NH2 2.71Å; V468-R531 PolarHBondContact O-NH2 2.79Å; L491-R531 CarbonylContact C-O 3.47Å; L491-R531 VanDerWaalsContact CA-O 3.3Å; L491-R531 WeakPolarHBondContact CA-O 3.2Å; I492-R531 HydrophobicContact CB-CB 4.15Å; I492-R531 HydrophobicContact CD1-CB 4.21Å; I492-R531 HydrophobicContact CD1-CG 4.2Å; I492-R531 HydrophobicContact CG1-CB 4.17Å; I492-R531 PolarHBondContact N-O 3.04Å; I492-R531 PolarHBondContact O-N 2.75Å
532	I	95.8	Very high	95.1	Very high	38 Å²	38	56.5 Å²	56.5	20%	0.195	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	123.6	165.1	-171.3	172.6	0	0	0	109.8	L491 I529 A544 V548 F578	L491-I532 HydrophobicContact CB-CG1 4.43Å; L491-I532 HydrophobicContact CD1-CD1 3.85Å; L491-I532 HydrophobicContact CD1-CG1 4.14Å; L491-I532 HydrophobicContact CG-CB 4.23Å; L491-I532 HydrophobicContact CG-CD1 4.36Å; L491-I532 HydrophobicContact CG-CG1 4.14Å; I529-I532 HydrophobicContact CG2-CB 3.86Å; I529-I532 HydrophobicContact CG2-CG2 4.12Å; I532-A544 HydrophobicContact CD1-CB 4.03Å; I532-V548 HydrophobicContact CD1-CG2 3.83Å; I532-F578 HydrophobicContact CD1-CD1 4.17Å; I532-F578 HydrophobicContact CD1-CE1 3.59Å; I532-F578 HydrophobicContact CD1-CZ 4.08Å
533	W	96.4	Very high	95.3	Very high	9 Å²	9	53.5 Å²	53.5	3%	0.034	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.7	-176.6	172.3	92.8	0	0	0	111.3	F414 I418 V459 E462 G489 C490 F535	F414-W533 HydrophobicContact CE2-CZ2 4.16Å; F414-W533 HydrophobicContact CZ-CH2 4.44Å; F414-W533 HydrophobicContact CZ-CZ2 4.28Å; I418-W533 HydrophobicContact CG2-CH2 4.21Å; V459-W533 HydrophobicContact CB-CB 4.42Å; V459-W533 HydrophobicContact CB-CG 4.46Å; V459-W533 HydrophobicContact CG1-CB 3.86Å; V459-W533 HydrophobicContact CG1-CG 4.29Å; V459-W533 HydrophobicContact CG2-CB 3.65Å; V459-W533 HydrophobicContact CG2-CD2 3.74Å; V459-W533 HydrophobicContact CG2-CE3 4.1Å; V459-W533 HydrophobicContact CG2-CG 3.56Å; E462-W533 PolarHBondContact OE1-NE1 3.29Å; E462-W533 PolarHBondContact OE2-NE1 3.37Å; G489-W533 CarbonylContact C-O 3.26Å; G489-W533 VanDerWaalsContact CA-O 3.25Å; G489-W533 WeakPolarHBondContact CA-O 3.32Å; C490-W533 HydrophobicContact CB-CE3 4.17Å; C490-W533 PolarHBondContact N-O 2.95Å; C490-W533 PolarHBondContact O-N 3.32Å; W533-F535 HydrophobicContact CH2-CB 3.68Å; W533-F535 HydrophobicContact CZ2-CB 3.86Å; W533-F535 HydrophobicContact CZ2-CD2 4.41Å; W533-F535 HydrophobicContact CZ3-CB 4.37Å
534	V	97.1	Very high	95.3	Very high	13 Å²	13	51.8 Å²	51.8	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.2	169.9	178.3	0	0	0	0	108	V488 K536 R539 I543 A544	V488-V534 WeakPolarHBondContact O-CA 3.12Å; V488-V534 WeakPolarHBondContact O-CG1 3.48Å; V534-K536 PolarHBondContact O-N 3.19Å; V534-R539 HydrophobicContact CB-CG 4.12Å; V534-R539 HydrophobicContact CG1-CG 4.09Å; V534-R539 WeakPolarHBondContact O-CG 3.4Å; V534-R539 PolarHBondContact O-NE 3.17Å; V534-I543 HydrophobicContact CG1-CB 4.06Å; V534-I543 HydrophobicContact CG1-CD1 4.07Å; V534-I543 HydrophobicContact CG1-CG2 4.12Å; V534-I543 HydrophobicContact CG2-CB 4.09Å; V534-I543 HydrophobicContact CG2-CG2 3.75Å; V534-A544 HydrophobicContact CG2-CB 3.84Å
535	F	94.8	Very high	95.4	Very high	11 Å²	11	50.4 Å²	50.4	5%	0.048	22%	0.215	C	C	.	.			trans	-51.4	129.1	-179.8	172.4	-135.1	0	0	0	111.5	S391 F414 V488 W533 L537 K538 R539	S391-F535 WeakPolarHBondContact O-CZ 3.45Å; F414-F535 AromaticContact CE1-CD2 3.89Å; F414-F535 HydrophobicContact CE1-CD2 3.89Å; F414-F535 AromaticContact CE1-CE2 3.53Å; F414-F535 HydrophobicContact CE1-CE2 3.53Å; F414-F535 HydrophobicContact CE1-CZ 4.01Å; F414-F535 HydrophobicContact CE2-CD2 4.34Å; F414-F535 AromaticContact CZ-CD2 3.35Å; F414-F535 HydrophobicContact CZ-CD2 3.35Å; F414-F535 AromaticContact CZ-CE2 3.46Å; F414-F535 HydrophobicContact CZ-CE2 3.46Å; F414-F535 VanDerWaalsContact CZ-CE2 3.46Å; F414-F535 HydrophobicContact CZ-CG 4.16Å; F414-F535 HydrophobicContact CZ-CZ 4.32Å; V488-F535 HydrophobicContact CB-CB 4.46Å; V488-F535 PolarHBondContact O-N 2.82Å; W533-F535 HydrophobicContact CH2-CB 3.68Å; W533-F535 HydrophobicContact CZ2-CB 3.86Å; W533-F535 HydrophobicContact CZ2-CD2 4.41Å; W533-F535 HydrophobicContact CZ3-CB 4.37Å; F535-L537 HydrophobicContact CD1-CB 4.29Å; F535-L537 HydrophobicContact CE1-CB 3.74Å; F535-L537 HydrophobicContact CE1-CD1 4.06Å; F535-L537 HydrophobicContact CE1-CG 4.02Å; F535-L537 HydrophobicContact CE2-CG 4.38Å; F535-L537 HydrophobicContact CZ-CB 4.01Å; F535-L537 HydrophobicContact CZ-CD1 3.72Å; F535-L537 HydrophobicContact CZ-CG 3.74Å; F535-L537 PolarHBondContact O-N 2.96Å; F535-K538 HydrophobicContact CD1-CG 4.01Å; F535-K538 CarbonylContact O-C 3.57Å; F535-K538 PolarHBondContact O-N 3.17Å; F535-R539 WeakPolarHBondContact O-CG 3.49Å; F535-R539 PolarHBondContact O-N 2.83Å
536	K	92.8	Very high	95.5	Very high	99 Å²	99	51.5 Å²	51.5	43%	0.43	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-40.7	-47	-171.8	-63.5	-179.4	-171.9	174.1	0	114	E462 V534 R539	E462-K536 WeakPolarHBondContact OE1-CE 3.47Å; E462-K536 WeakPolarHBondContact OE1-CG 3.33Å; V534-K536 PolarHBondContact O-N 3.19Å; K536-R539 WeakPolarHBondContact O-CB 3.22Å
537	L	92	Very high	95.7	Very high	66 Å²	66	49 Å²	49	35%	0.346	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-79.7	-14.1	-176.6	-53.2	-178.7	0	0	0	115.1	M388 K390 F535	M388-L537 HydrophobicContact SD-CD2 3.87Å; K390-L537 WeakPolarHBondContact O-CD1 3.35Å; F535-L537 HydrophobicContact CD1-CB 4.29Å; F535-L537 HydrophobicContact CE1-CB 3.74Å; F535-L537 HydrophobicContact CE1-CD1 4.06Å; F535-L537 HydrophobicContact CE1-CG 4.02Å; F535-L537 HydrophobicContact CE2-CG 4.38Å; F535-L537 HydrophobicContact CZ-CB 4.01Å; F535-L537 HydrophobicContact CZ-CD1 3.72Å; F535-L537 HydrophobicContact CZ-CG 3.74Å; F535-L537 PolarHBondContact O-N 2.96Å
538	K	94.3	Very high	95.7	Very high	33 Å²	33	49 Å²	49	14%	0.143	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-107.9	0.9	175.1	-56.3	-101.4	-170.6	167.8	0	111.9	D483 E484 V488 F535 K541 I543	D483-K538 IonicContact OD1-NZ 3.31Å; D483-K538 VanDerWaalsContact OD2-CD 3.28Å; D483-K538 WeakPolarHBondContact OD2-CD 3.3Å; D483-K538 VanDerWaalsContact OD2-CE 3.23Å; D483-K538 WeakPolarHBondContact OD2-CE 3.31Å; D483-K538 IonicContact OD2-NZ 2.72Å; D483-K538 PolarHBondContact OD2-NZ 3.02Å; E484-K538 IonicContact OE2-NZ 3.63Å; E484-K538 PolarHBondContact OE2-NZ 3.25Å; V488-K538 HydrophobicContact CB-CB 4.34Å; V488-K538 HydrophobicContact CB-CG 4.25Å; V488-K538 HydrophobicContact CG1-CD 4.42Å; V488-K538 HydrophobicContact CG1-CG 4.11Å; F535-K538 HydrophobicContact CD1-CG 4.01Å; F535-K538 CarbonylContact O-C 3.57Å; F535-K538 PolarHBondContact O-N 3.17Å; K538-K541 WeakPolarHBondContact O-CB 3.01Å; K538-K541 WeakPolarHBondContact O-CG 3.31Å; K538-I543 HydrophobicContact CB-CD1 3.95Å
539	R	95.6	Very high	95.8	Very high	80 Å²	80	51.3 Å²	51.3	30%	0.302	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	161	172.3	-71	-178	-178.7	-159.2	1.7	112.1	E462 V534 F535 K536 K541 D574	E462-R539 IonicContact OE1-CZ 3.8Å; E462-R539 IonicContact OE1-NH2 2.67Å; E462-R539 PolarHBondContact OE1-NH2 2.85Å; V534-R539 HydrophobicContact CB-CG 4.12Å; V534-R539 HydrophobicContact CG1-CG 4.09Å; V534-R539 WeakPolarHBondContact O-CG 3.4Å; V534-R539 PolarHBondContact O-NE 3.17Å; F535-R539 WeakPolarHBondContact O-CG 3.49Å; F535-R539 PolarHBondContact O-N 2.83Å; K536-R539 WeakPolarHBondContact O-CB 3.22Å; R539-K541 PolarHBondContact O-N 2.77Å; R539-D574 IonicContact CZ-OD2 3.23Å; R539-D574 IonicContact NH1-OD2 2.74Å; R539-D574 PolarHBondContact NH1-OD2 2.87Å
540	R	95.5	Very high	95.9	Very high	217 Å²	217	51.4 Å²	51.4	82%	0.819	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	-12.8	-177.2	-45.8	-61.1	-74.3	-162.4	-6.6	116.2	R542	R540-R542 PolarHBondContact O-N 3.24Å
541	K	96	Very high	96.1	Very high	113 Å²	113	51.1 Å²	51.1	49%	0.491	22%	0.217	S	C	.	.	S	Bend	trans	-73	36.2	174.5	-56.2	-172	-174.7	-169.7	0	114.8	K538 R539 I543 R546	K538-K541 WeakPolarHBondContact O-CB 3.01Å; K538-K541 WeakPolarHBondContact O-CG 3.31Å; R539-K541 PolarHBondContact O-N 2.77Å; K541-I543 HydrophobicContact CB-CG1 4.48Å; K541-I543 PolarHBondContact O-N 2.72Å; K541-R546 PolarHBondContact O-NH2 2.63Å
542	R	96.9	Very high	96.3	Very high	192 Å²	192	51.6 Å²	51.6	73%	0.725	22%	0.219	S	C	*	.	S	Bend	trans	53.4	9	-176.7	-54.3	-175.1	-175.9	-168.6	2.8	116.5	R540 R545 R546	R540-R542 PolarHBondContact O-N 3.24Å; R542-R545 PolarHBondContact O-N 2.91Å; R542-R546 PolarHBondContact O-N 3.27Å; R542-R546 PolarHBondContact O-NE 3.42Å
543	I	98	Very high	96.3	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-56.8	-53.3	-179	-66.5	171.4	0	0	0	111.6	F481 V488 V534 K538 K541 R545 R546 L547	F481-I543 HydrophobicContact CB-CG2 3.88Å; F481-I543 HydrophobicContact CD1-CD1 4.48Å; F481-I543 HydrophobicContact CD1-CG1 4.48Å; F481-I543 HydrophobicContact CD1-CG2 4.26Å; F481-I543 HydrophobicContact CD2-CG2 3.83Å; F481-I543 HydrophobicContact CE1-CD1 4.44Å; F481-I543 HydrophobicContact CE1-CG1 4.32Å; F481-I543 HydrophobicContact CE2-CG1 4.41Å; F481-I543 HydrophobicContact CE2-CG2 4.47Å; F481-I543 HydrophobicContact CG-CG2 3.72Å; F481-I543 HydrophobicContact CZ-CG1 4.3Å; V488-I543 HydrophobicContact CG2-CD1 3.99Å; V534-I543 HydrophobicContact CG1-CB 4.06Å; V534-I543 HydrophobicContact CG1-CD1 4.07Å; V534-I543 HydrophobicContact CG1-CG2 4.12Å; V534-I543 HydrophobicContact CG2-CB 4.09Å; V534-I543 HydrophobicContact CG2-CG2 3.75Å; K538-I543 HydrophobicContact CB-CD1 3.95Å; K541-I543 HydrophobicContact CB-CG1 4.48Å; K541-I543 PolarHBondContact O-N 2.72Å; I543-R545 VanDerWaalsContact C-N 3.28Å; I543-R545 PolarHBondContact O-N 2.79Å; I543-R546 PolarHBondContact O-N 2.9Å; I543-R546 VanDerWaalsContact O-N 3.15Å; I543-L547 HydrophobicContact CG2-CD1 4.01Å; I543-L547 PolarHBondContact O-N 3.03Å
544	A	98	Very high	96.1	Very high	19 Å²	19	54.5 Å²	54.5	16%	0.157	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-36.3	178.2	0	0	0	0	0	113.2	I532 V534 V548 F578	I532-A544 HydrophobicContact CD1-CB 4.03Å; V534-A544 HydrophobicContact CG2-CB 3.84Å; A544-V548 WeakPolarHBondContact O-CG2 3.46Å; A544-V548 PolarHBondContact O-N 3.01Å; A544-V548 VanDerWaalsContact O-N 3.16Å; A544-F578 HydrophobicContact CB-CD2 3.97Å; A544-F578 HydrophobicContact CB-CE1 4.49Å; A544-F578 HydrophobicContact CB-CE2 3.58Å; A544-F578 HydrophobicContact CB-CZ 3.88Å; A544-F578 WeakPolarHBondContact O-CZ 3.25Å
545	R	97.8	Very high	95.9	Very high	80 Å²	80	54.8 Å²	54.8	30%	0.302	24%	0.237	S	C	.	.	H	α-helix	trans	-62.9	-51.3	175.4	166.9	167.9	-73.3	-80.1	9.3	110	R542 I543 L547 V548 D549 F578 K581 Y582	R542-R545 PolarHBondContact O-N 2.91Å; I543-R545 VanDerWaalsContact C-N 3.28Å; I543-R545 PolarHBondContact O-N 2.79Å; R545-L547 VanDerWaalsContact C-N 3.34Å; R545-L547 PolarHBondContact O-N 2.92Å; R545-V548 PolarHBondContact O-N 2.88Å; R545-V548 VanDerWaalsContact O-N 3.13Å; R545-D549 WeakPolarHBondContact CG-OD2 3.44Å; R545-D549 PolarHBondContact O-N 2.81Å; R545-F578 HydrophobicContact CB-CE2 4.28Å; R545-K581 PolarHBondContact NH2-O 2.83Å; R545-Y582 HydrophobicContact CB-CD2 4.31Å; R545-Y582 HydrophobicContact CB-CE2 4.5Å; R545-Y582 HydrophobicContact CG-CD2 4.15Å; R545-Y582 HydrophobicContact CG-CE2 4Å
546	R	97.8	Very high	95.7	Very high	27 Å²	27	57.6 Å²	57.6	10%	0.102	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-39.5	178	-71.1	178.6	-77.7	170.9	-8.9	113	F432 D434 I437 K541 R542 I543 V548 D549 T550	F432-R546 VanDerWaalsContact CB-NH1 3.29Å; F432-R546 VanDerWaalsContact CE1-CD 3.44Å; F432-R546 HydrophobicContact CE1-CG 4.04Å; F432-R546 HydrophobicContact CE2-CB 4.21Å; F432-R546 HydrophobicContact CE2-CG 4.44Å; F432-R546 HydrophobicContact CZ-CB 3.94Å; F432-R546 HydrophobicContact CZ-CG 3.89Å; D434-R546 IonicContact OD1-CZ 3.63Å; D434-R546 IonicContact OD1-NH1 3.37Å; D434-R546 PolarHBondContact OD1-NH1 2.71Å; D434-R546 IonicContact OD1-NH2 2.69Å; D434-R546 PolarHBondContact OD1-NH2 2.95Å; D434-R546 IonicContact OD2-CZ 2.71Å; D434-R546 IonicContact OD2-NH1 3.42Å; D434-R546 IonicContact OD2-NH2 3.73Å; D434-R546 PolarHBondContact OD2-NH2 3.1Å; I437-R546 HydrophobicContact CD1-CB 4.26Å; K541-R546 PolarHBondContact O-NH2 2.63Å; R542-R546 PolarHBondContact O-N 3.27Å; R542-R546 PolarHBondContact O-NE 3.42Å; I543-R546 PolarHBondContact O-N 2.9Å; I543-R546 VanDerWaalsContact O-N 3.15Å; R546-V548 PolarHBondContact O-N 3.35Å; R546-D549 PolarHBondContact O-N 2.88Å; R546-T550 WeakPolarHBondContact O-CB 3.35Å; R546-T550 PolarHBondContact O-N 3.19Å; R546-T550 PolarHBondContact O-OG1 2.94Å; R546-T550 VanDerWaalsContact O-OG1 3.09Å
547	L	98.1	Very high	95.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.7	-46.5	173.1	-77.5	166.6	0	0	0	111.6	I437 F479 F481 L491 I543 R545 T550 V551	I437-L547 HydrophobicContact CD1-CD2 4.09Å; I437-L547 HydrophobicContact CD1-CG 4.4Å; I437-L547 HydrophobicContact CG1-CD2 4.25Å; I437-L547 HydrophobicContact CG2-CD2 4.06Å; F479-L547 HydrophobicContact CB-CD2 3.81Å; F481-L547 HydrophobicContact CB-CD1 4.38Å; F481-L547 HydrophobicContact CB-CD2 4.23Å; F481-L547 HydrophobicContact CB-CG 4.42Å; L491-L547 HydrophobicContact CB-CB 4.19Å; L491-L547 HydrophobicContact CB-CD1 4.38Å; L491-L547 HydrophobicContact CB-CD2 4.4Å; L491-L547 HydrophobicContact CD1-CB 3.8Å; I543-L547 HydrophobicContact CG2-CD1 4.01Å; I543-L547 PolarHBondContact O-N 3.03Å; R545-L547 VanDerWaalsContact C-N 3.34Å; R545-L547 PolarHBondContact O-N 2.92Å; L547-T550 PolarHBondContact O-N 3.27Å; L547-V551 WeakPolarHBondContact O-CG2 3.4Å; L547-V551 PolarHBondContact O-N 3.33Å
548	V	97.8	Very high	95.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.8	-39.5	175.7	-177.4	0	0	0	0	112	L491 I529 I532 A544 R545 R546 T550 V551 R552 I566 F578 Y582	L491-V548 HydrophobicContact CD1-CG2 3.76Å; I529-V548 HydrophobicContact CD1-CG1 4.17Å; I529-V548 HydrophobicContact CD1-CG2 3.84Å; I532-V548 HydrophobicContact CD1-CG2 3.83Å; A544-V548 WeakPolarHBondContact O-CG2 3.46Å; A544-V548 PolarHBondContact O-N 3.01Å; A544-V548 VanDerWaalsContact O-N 3.16Å; R545-V548 PolarHBondContact O-N 2.88Å; R545-V548 VanDerWaalsContact O-N 3.13Å; R546-V548 PolarHBondContact O-N 3.35Å; V548-T550 PolarHBondContact O-N 3.24Å; V548-V551 WeakPolarHBondContact O-CB 3.41Å; V548-V551 PolarHBondContact O-N 3.39Å; V548-V551 VanDerWaalsContact O-N 3.14Å; V548-R552 HydrophobicContact CG1-CG 4.46Å; V548-R552 VanDerWaalsContact O-CG 3.27Å; V548-R552 WeakPolarHBondContact O-CG 3.31Å; V548-R552 PolarHBondContact O-N 2.94Å; V548-I566 HydrophobicContact CG1-CD1 4.13Å; V548-F578 HydrophobicContact CG2-CE1 3.85Å; V548-F578 HydrophobicContact CG2-CZ 3.83Å; V548-Y582 HydrophobicContact CB-CD2 4.29Å; V548-Y582 HydrophobicContact CB-CE1 4.29Å; V548-Y582 HydrophobicContact CB-CE2 3.82Å; V548-Y582 HydrophobicContact CG1-CD1 4.04Å; V548-Y582 HydrophobicContact CG1-CD2 4.45Å; V548-Y582 HydrophobicContact CG1-CE1 3.47Å; V548-Y582 VanDerWaalsContact CG1-CE1 3.47Å; V548-Y582 HydrophobicContact CG1-CE2 3.92Å; V548-Y582 VanDerWaalsContact CG1-CZ 3.43Å
549	D	96.9	Very high	95.3	Very high	49 Å²	49	64.3 Å²	64.3	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-59.1	-35.4	175.3	-59.6	-36.8	0	0	0	111.5	R545 R546 Y582	R545-D549 WeakPolarHBondContact CG-OD2 3.44Å; R545-D549 PolarHBondContact O-N 2.81Å; R546-D549 PolarHBondContact O-N 2.88Å; D549-Y582 VanDerWaalsContact OD1-CE2 3.22Å; D549-Y582 WeakPolarHBondContact OD1-CE2 3.46Å; D549-Y582 VanDerWaalsContact OD1-CZ 3.3Å; D549-Y582 PolarHBondContact OD1-OH 2.69Å
550	T	97	Very high	95.2	Very high	5 Å²	5	66.5 Å²	66.5	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-81.8	-25.9	174.6	-56.1	0	0	0	0	113.8	V429 A430 I437 F479 R546 L547 V548 R552 N553 C554	V429-T550 HydrophobicContact CB-CG2 3.86Å; V429-T550 HydrophobicContact CG2-CG2 3.49Å; V429-T550 VanDerWaalsContact CG2-CG2 3.49Å; A430-T550 HydrophobicContact CB-CG2 4.34Å; I437-T550 HydrophobicContact CD1-CG2 4.47Å; I437-T550 WeakPolarHBondContact CD1-OG1 3.23Å; I437-T550 HydrophobicContact CG2-CG2 4.12Å; F479-T550 HydrophobicContact CD1-CG2 4.03Å; F479-T550 HydrophobicContact CE1-CG2 4.06Å; R546-T550 WeakPolarHBondContact O-CB 3.35Å; R546-T550 PolarHBondContact O-N 3.19Å; R546-T550 PolarHBondContact O-OG1 2.94Å; R546-T550 VanDerWaalsContact O-OG1 3.09Å; L547-T550 PolarHBondContact O-N 3.27Å; V548-T550 PolarHBondContact O-N 3.24Å; T550-R552 VanDerWaalsContact C-N 3.31Å; T550-N553 WeakPolarHBondContact CA-OD1 3.42Å; T550-N553 PolarHBondContact O-OD1 2.8Å; T550-C554 VanDerWaalsContact O-CB 3.31Å; T550-C554 WeakPolarHBondContact O-CB 3.5Å; T550-C554 PolarHBondContact O-N 2.87Å
551	V	97	Very high	95.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-46	165	168.6	0	0	0	0	109.2	F479 L491 A493 C527 L547 V548 N553 C554 F555	F479-V551 HydrophobicContact CD2-CG2 3.67Å; F479-V551 HydrophobicContact CE2-CB 4.44Å; F479-V551 HydrophobicContact CE2-CG2 3.64Å; F479-V551 HydrophobicContact CG-CG2 4.2Å; F479-V551 HydrophobicContact CZ-CG2 4.12Å; L491-V551 HydrophobicContact CD1-CG2 3.72Å; L491-V551 HydrophobicContact CD2-CG2 3.56Å; L491-V551 HydrophobicContact CG-CG2 4.24Å; A493-V551 HydrophobicContact CB-CG1 4.28Å; A493-V551 HydrophobicContact CB-CG2 4.44Å; C527-V551 WeakPolarHBondContact SG-CG1 3.07Å; L547-V551 WeakPolarHBondContact O-CG2 3.4Å; L547-V551 PolarHBondContact O-N 3.33Å; V548-V551 WeakPolarHBondContact O-CB 3.41Å; V548-V551 PolarHBondContact O-N 3.39Å; V548-V551 VanDerWaalsContact O-N 3.14Å; V551-N553 VanDerWaalsContact C-N 3.28Å; V551-N553 PolarHBondContact O-N 3.29Å; V551-C554 PolarHBondContact O-N 2.76Å; V551-F555 HydrophobicContact CG1-CB 4.07Å; V551-F555 HydrophobicContact CG1-CD2 4.45Å; V551-F555 HydrophobicContact CG1-CG 4.5Å; V551-F555 WeakPolarHBondContact O-CB 3.33Å; V551-F555 PolarHBondContact O-N 3.21Å
552	R	96.6	Very high	95.2	Very high	30 Å²	30	52.9 Å²	52.9	11%	0.113	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-29.8	-175.7	-70.3	172.3	71.2	-168.9	-3.2	114.6	V548 T550 F560 L561 I566 Y582	V548-R552 HydrophobicContact CG1-CG 4.46Å; V548-R552 VanDerWaalsContact O-CG 3.27Å; V548-R552 WeakPolarHBondContact O-CG 3.31Å; V548-R552 PolarHBondContact O-N 2.94Å; T550-R552 VanDerWaalsContact C-N 3.31Å; R552-F560 HydrophobicContact CB-CD2 3.96Å; R552-F560 HydrophobicContact CB-CE2 3.56Å; R552-F560 HydrophobicContact CB-CZ 4.13Å; R552-F560 WeakPolarHBondContact O-CA 3.27Å; R552-L561 HydrophobicContact CB-CB 4.34Å; R552-L561 HydrophobicContact CG-CB 4.28Å; R552-L561 VanDerWaalsContact CZ-O 3.26Å; R552-L561 PolarHBondContact NE-O 3.16Å; R552-L561 PolarHBondContact NH2-O 3.25Å; R552-L561 PolarHBondContact O-N 2.9Å; R552-I566 HydrophobicContact CG-CD1 3.38Å; R552-I566 HydrophobicContact CG-CG1 4.41Å; R552-Y582 WeakPolarHBondContact CD-OH 3.37Å; R552-Y582 PolarHBondContact NH1-OH 3.14Å
553	N	95.3	Very high	95.1	Very high	79 Å²	79	46.1 Å²	46.1	42%	0.422	25%	0.248	S	C	.	.	H	α-helix	trans	-98.8	-13.1	178.3	74.1	-0.8	0	0	0	115	T550 V551 F560	T550-N553 WeakPolarHBondContact CA-OD1 3.42Å; T550-N553 PolarHBondContact O-OD1 2.8Å; V551-N553 VanDerWaalsContact C-N 3.28Å; V551-N553 PolarHBondContact O-N 3.29Å; N553-F560 HydrophobicContact CB-CD2 3.9Å; N553-F560 HydrophobicContact CB-CE2 4.31Å
554	C	93.8	Very high	95	Very high	29 Å²	29	49.9 Å²	49.9	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-117.3	-11	-178.8	-66.2	0	0	0	0	114.9	L439 K477 F479 T550 V551	L439-C554 HydrophobicContact CD2-CB 4.24Å; K477-C554 PolarHBondContact NZ-O 3.17Å; K477-C554 VanDerWaalsContact NZ-O 3.1Å; F479-C554 HydrophobicContact CE1-CB 3.78Å; F479-C554 HydrophobicContact CZ-CB 3.98Å; T550-C554 VanDerWaalsContact O-CB 3.31Å; T550-C554 WeakPolarHBondContact O-CB 3.5Å; T550-C554 PolarHBondContact O-N 2.87Å; V551-C554 PolarHBondContact O-N 2.76Å
555	F	92.4	Very high	94.9	Very high	19 Å²	19	51.7 Å²	51.7	8%	0.083	27%	0.274	C	S	.	.	S	Bend	trans	-71.4	-41.4	-178.1	-169.2	-93.3	0	0	0	112.1	K477 A493 P495 I526 C527 V551 L561	K477-F555 HydrophobicContact CD-CD2 3.94Å; K477-F555 HydrophobicContact CD-CE2 4.26Å; K477-F555 HydrophobicContact CG-CE2 4.49Å; K477-F555 PolarHBondContact NZ-O 2.85Å; A493-F555 HydrophobicContact CB-CD2 3.81Å; A493-F555 HydrophobicContact CB-CE2 3.78Å; P495-F555 HydrophobicContact CB-CZ 4.08Å; I526-F555 HydrophobicContact CG2-CD1 4.36Å; I526-F555 HydrophobicContact CG2-CE1 4.19Å; C527-F555 HydrophobicContact CB-CD1 3.78Å; C527-F555 HydrophobicContact CB-CD2 4.47Å; C527-F555 HydrophobicContact CB-CE1 3.89Å; C527-F555 HydrophobicContact CB-CG 4.09Å; C527-F555 HydrophobicContact CB-CZ 4.3Å; C527-F555 WeakPolarHBondContact SG-CD2 3.4Å; C527-F555 VanDerWaalsContact SG-CG 3.56Å; V551-F555 HydrophobicContact CG1-CB 4.07Å; V551-F555 HydrophobicContact CG1-CD2 4.45Å; V551-F555 HydrophobicContact CG1-CG 4.5Å; V551-F555 WeakPolarHBondContact O-CB 3.33Å; V551-F555 PolarHBondContact O-N 3.21Å; F555-L561 HydrophobicContact CB-CD1 4.01Å; F555-L561 HydrophobicContact CD1-CD1 4.09Å; F555-L561 HydrophobicContact CG-CD1 4.36Å
556	M	91.2	Very high	94.9	Very high	71 Å²	71	48 Å²	48	35%	0.35	26%	0.26	S	S	.	.	S	Bend	trans	-117.7	125.5	170.5	-171.5	153.6	71	0	0	108.7	I526 G558 C559 L561	I526-M556 HydrophobicContact CD1-CE 4.1Å; M556-G558 PolarHBondContact O-N 2.89Å; M556-C559 HydrophobicContact CB-CB 4.19Å; M556-C559 HydrophobicContact CE-CB 3.68Å; M556-C559 HydrophobicContact CG-CB 4.07Å; M556-C559 PolarHBondContact O-N 3.44Å; M556-L561 HydrophobicContact CB-CD2 4.48Å; M556-L561 HydrophobicContact CE-CD2 4.05Å
557	F	88.2	Confident	94.8	Very high	205 Å²	205	46.8 Å²	46.8	90%	0.899	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	130.7	-173.6	-179.3	-94.9	0	0	0	110.7	C559	F557-C559 VanDerWaalsContact C-N 3.27Å; F557-C559 PolarHBondContact O-N 2.87Å
558	G	89.8	Confident	94.7	Very high	76 Å²	76	47.1 Å²	47.1	78%	0.784	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-0.5	-178.4	0	0	0	0	0	115.3	M556	M556-G558 PolarHBondContact O-N 2.89Å
559	C	90.9	Very high	94.4	Very high	57 Å²	57	48 Å²	48	39%	0.385	26%	0.263	S	S	.	.			trans	-123	146.3	-177.5	-56	0	0	0	0	111.6	M556 F557	M556-C559 HydrophobicContact CB-CB 4.19Å; M556-C559 HydrophobicContact CE-CB 3.68Å; M556-C559 HydrophobicContact CG-CB 4.07Å; M556-C559 PolarHBondContact O-N 3.44Å; F557-C559 VanDerWaalsContact C-N 3.27Å; F557-C559 PolarHBondContact O-N 2.87Å
560	F	94.7	Very high	93.9	Very high	126 Å²	126	48.7 Å²	48.7	55%	0.553	27%	0.267	S	S	*	.			trans	-108.9	106.5	172	-174.9	-111.3	0	0	0	110	R552 N553 S562	R552-F560 HydrophobicContact CB-CD2 3.96Å; R552-F560 HydrophobicContact CB-CE2 3.56Å; R552-F560 HydrophobicContact CB-CZ 4.13Å; R552-F560 WeakPolarHBondContact O-CA 3.27Å; N553-F560 HydrophobicContact CB-CD2 3.9Å; N553-F560 HydrophobicContact CB-CE2 4.31Å; F560-S562 PolarHBondContact O-N 2.98Å
561	L	95.7	Very high	93.7	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	27%	0.273	C	S	.	.			trans	-60.2	137.8	-177.4	-61.7	179.4	0	0	0	111.1	I526 C527 R552 F555 M556 E565	I526-L561 HydrophobicContact CB-CD2 4.33Å; I526-L561 HydrophobicContact CD1-CD2 4.04Å; I526-L561 HydrophobicContact CG2-CD2 4.25Å; C527-L561 HydrophobicContact CB-CD1 3.66Å; R552-L561 HydrophobicContact CB-CB 4.34Å; R552-L561 HydrophobicContact CG-CB 4.28Å; R552-L561 VanDerWaalsContact CZ-O 3.26Å; R552-L561 PolarHBondContact NE-O 3.16Å; R552-L561 PolarHBondContact NH2-O 3.25Å; R552-L561 PolarHBondContact O-N 2.9Å; F555-L561 HydrophobicContact CB-CD1 4.01Å; F555-L561 HydrophobicContact CD1-CD1 4.09Å; F555-L561 HydrophobicContact CG-CD1 4.36Å; M556-L561 HydrophobicContact CB-CD2 4.48Å; M556-L561 HydrophobicContact CE-CD2 4.05Å; L561-E565 HydrophobicContact CB-CB 4.46Å; L561-E565 HydrophobicContact CD2-CB 4.31Å
562	S	95.8	Very high	93.4	Very high	43 Å²	43	52 Å²	52	30%	0.301	29%	0.287	S	S	.	.			trans	-69.4	171	167.8	76.6	0	0	0	0	111.2	F560 N564 E565 I566	F560-S562 PolarHBondContact O-N 2.98Å; S562-N564 PolarHBondContact O-N 3.27Å; S562-N564 PolarHBondContact OG-N 2.59Å; S562-E565 WeakPolarHBondContact CA-OE2 3.3Å; S562-E565 WeakPolarHBondContact CB-OE2 3.47Å; S562-E565 PolarHBondContact N-OE2 2.64Å; S562-E565 PolarHBondContact O-N 2.77Å; S562-E565 PolarHBondContact OG-N 2.88Å; S562-E565 PolarHBondContact OG-OE2 2.7Å; S562-I566 WeakPolarHBondContact O-CG1 3.49Å
563	I	95.4	Very high	93.1	Very high	49 Å²	49	53.8 Å²	53.8	25%	0.251	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-67.8	-23.3	174.2	-71.3	169.5	0	0	0	111.6	Y582 C583	I563-Y582 HydrophobicContact CG1-CE1 4.45Å; I563-C583 HydrophobicContact CG2-CB 3.49Å; I563-C583 VanDerWaalsContact CG2-CB 3.49Å
564	N	95.1	Very high	93	Very high	82 Å²	82	54.3 Å²	54.3	44%	0.439	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-88.7	-6.5	-178.2	-65.5	-33.2	0	0	0	113.4	S562 L589	S562-N564 PolarHBondContact O-N 3.27Å; S562-N564 PolarHBondContact OG-N 2.59Å; N564-L589 WeakPolarHBondContact O-CD1 3.38Å
565	E	95.9	Very high	93	Very high	56 Å²	56	53.4 Å²	53.4	26%	0.262	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-96.3	4.1	175.3	-71.1	154.5	109.3	0	0	112.6	I526 C527 L561 S562	I526-E565 HydrophobicContact CB-CB 4.34Å; I526-E565 HydrophobicContact CD1-CB 4.26Å; I526-E565 HydrophobicContact CD1-CG 4.01Å; I526-E565 VanDerWaalsContact CD1-OE1 3.27Å; I526-E565 WeakPolarHBondContact CD1-OE1 3.21Å; I526-E565 HydrophobicContact CG1-CB 4.21Å; I526-E565 HydrophobicContact CG1-CG 4.25Å; I526-E565 PolarHBondContact N-O 3.48Å; C527-E565 PolarHBondContact N-O 3.2Å; L561-E565 HydrophobicContact CB-CB 4.46Å; L561-E565 HydrophobicContact CD2-CB 4.31Å; S562-E565 WeakPolarHBondContact CA-OE2 3.3Å; S562-E565 WeakPolarHBondContact CB-OE2 3.47Å; S562-E565 PolarHBondContact N-OE2 2.64Å; S562-E565 PolarHBondContact O-N 2.77Å; S562-E565 PolarHBondContact OG-N 2.88Å; S562-E565 PolarHBondContact OG-OE2 2.7Å
566	I	96.7	Very high	93	Very high	4 Å²	4	54 Å²	54	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.1	-177	-48.5	166	0	0	0	109.5	C527 I529 V548 R552 S562	C527-I566 CarbonylContact O-C 3.46Å; C527-I566 WeakPolarHBondContact O-CA 3.36Å; I529-I566 HydrophobicContact CD1-CG2 3.5Å; I529-I566 HydrophobicContact CG1-CG2 3.89Å; V548-I566 HydrophobicContact CG1-CD1 4.13Å; R552-I566 HydrophobicContact CG-CD1 3.38Å; R552-I566 HydrophobicContact CG-CG1 4.41Å; S562-I566 WeakPolarHBondContact O-CG1 3.49Å
567	A	96.3	Very high	93.1	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	161	171.5	0	0	0	0	0	111.7	I496 A499 C527 I529 L589 Y591	I496-A567 HydrophobicContact CD1-CB 3.7Å; A499-A567 HydrophobicContact CB-CB 3.35Å; C527-A567 PolarHBondContact O-N 3.06Å; I529-A567 PolarHBondContact N-O 3.42Å; A567-L589 VanDerWaalsContact CA-O 3.31Å; A567-L589 WeakPolarHBondContact CA-O 3.08Å; A567-L589 HydrophobicContact CB-CB 3.77Å; A567-Y591 HydrophobicContact CB-CD1 3.75Å; A567-Y591 HydrophobicContact CB-CE1 4.5Å
568	F	95.4	Very high	93.5	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.7	176.5	-61.9	-95.8	0	0	0	110.4	I529 F578 A579 F588 L589 V590 Y591	I529-F568 HydrophobicContact CB-CD1 3.93Å; I529-F568 HydrophobicContact CB-CE1 4.32Å; I529-F568 HydrophobicContact CD1-CD1 3.99Å; I529-F568 HydrophobicContact CD1-CE1 3.5Å; I529-F568 VanDerWaalsContact CD1-CE1 3.5Å; I529-F568 HydrophobicContact CD1-CZ 3.88Å; I529-F568 HydrophobicContact CG1-CE1 4.47Å; I529-F568 HydrophobicContact CG2-CD1 3.99Å; I529-F568 HydrophobicContact CG2-CE1 4.29Å; F568-F578 HydrophobicContact CE1-CD1 4.23Å; F568-F578 HydrophobicContact CE1-CE1 4.02Å; F568-F578 HydrophobicContact CZ-CE1 4.22Å; F568-A579 HydrophobicContact CD2-CB 3.91Å; F568-A579 HydrophobicContact CE1-CB 4.44Å; F568-A579 HydrophobicContact CE2-CB 3.66Å; F568-A579 HydrophobicContact CG-CB 4.42Å; F568-A579 HydrophobicContact CZ-CB 3.94Å; F568-F588 AromaticContact CD2-CD2 3.85Å; F568-F588 HydrophobicContact CD2-CD2 3.85Å; F568-F588 HydrophobicContact CD2-CE2 4.24Å; F568-F588 HydrophobicContact CE2-CD2 4.4Å; F568-L589 PolarHBondContact N-O 3.03Å; F568-V590 WeakPolarHBondContact O-CA 3.48Å; F568-V590 WeakPolarHBondContact O-CB 3.27Å; F568-Y591 PolarHBondContact O-N 2.71Å
569	S	92.3	Very high	93.8	Very high	18 Å²	18	44.5 Å²	44.5	13%	0.126	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	135.5	171.6	60	0	0	0	0	110.6	I529 S530 P571 Y591	I529-S569 PolarHBondContact O-N 3.21Å; I529-S569 PolarHBondContact O-OG 2.81Å; S530-S569 VanDerWaalsContact CA-OG 3.32Å; S530-S569 WeakPolarHBondContact CA-OG 3.49Å; S530-S569 PolarHBondContact O-OG 2.83Å; S569-P571 VanDerWaalsContact O-N 3.15Å; S569-Y591 WeakPolarHBondContact CA-O 3.4Å; S569-Y591 VanDerWaalsContact N-CE1 3.27Å
570	D	87.2	Confident	94	Very high	64 Å²	64	44 Å²	44	34%	0.342	24%	0.239	S	C	.	.	S	Bend	trans	32.8	63.1	170.7	-66.6	-40	0	0	0	115.2	T572 F593	D570-T572 PolarHBondContact O-N 3.47Å; D570-F593 WeakPolarHBondContact OD1-CA 3.27Å
571	P	91.2	Very high	94.1	Very high	26 Å²	26	45.4 Å²	45.4	17%	0.169	25%	0.245	C	C	.	.			trans	-65.9	112.8	-169.5	27.1	-36.8	0	0	0	112.2	S569 F588 V590	S569-P571 VanDerWaalsContact O-N 3.15Å; P571-F588 HydrophobicContact CB-CE2 4.38Å; P571-F588 HydrophobicContact CB-CZ 4.45Å; P571-F588 HydrophobicContact CG-CE2 4.14Å; P571-F588 HydrophobicContact CG-CZ 4.28Å; P571-V590 HydrophobicContact CG-CG1 3.64Å
572	T	90.6	Very high	94.2	Very high	47 Å²	47	45.4 Å²	45.4	29%	0.288	25%	0.245	S	C	.	.			trans	-54.8	163.6	169.6	68.2	0	0	0	0	111.7	L463 D570 D574 G575 K576	L463-T572 HydrophobicContact CD2-CG2 4.27Å; D570-T572 PolarHBondContact O-N 3.47Å; T572-D574 PolarHBondContact O-N 3.08Å; T572-G575 CarbonylContact O-C 3.57Å; T572-G575 WeakPolarHBondContact O-CA 3.44Å; T572-G575 PolarHBondContact O-N 3.48Å; T572-G575 PolarHBondContact OG1-N 3.36Å; T572-K576 PolarHBondContact O-N 3.41Å
573	P	91	Very high	94.1	Very high	68 Å²	68	44 Å²	44	44%	0.442	23%	0.234	S	C	.	.	H	α-helix	trans	-55.2	-37.2	178.6	-28.3	36.7	0	0	0	114.1	L577	P573-L577 WeakPolarHBondContact O-CG 3.47Å; P573-L577 PolarHBondContact O-N 2.76Å
574	D	92.8	Very high	94.1	Very high	90 Å²	90	48 Å²	48	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-67	-43	171.1	-84.3	-23.4	0	0	0	111.8	R539 T572 L577 F578	R539-D574 IonicContact CZ-OD2 3.23Å; R539-D574 IonicContact NH1-OD2 2.74Å; R539-D574 PolarHBondContact NH1-OD2 2.87Å; T572-D574 PolarHBondContact O-N 3.08Å; D574-L577 PolarHBondContact O-N 2.92Å; D574-F578 WeakPolarHBondContact O-CB 3.45Å; D574-F578 PolarHBondContact O-N 2.96Å
575	G	93.8	Very high	94	Very high	11 Å²	11	46.1 Å²	46.1	11%	0.113	25%	0.248	C	C	.	.	H	α-helix	trans	-59.1	-45.7	175.8	0	0	0	0	0	112.8	T572 F578 A579	T572-G575 CarbonylContact O-C 3.57Å; T572-G575 WeakPolarHBondContact O-CA 3.44Å; T572-G575 PolarHBondContact O-N 3.48Å; T572-G575 PolarHBondContact OG1-N 3.36Å; G575-F578 WeakPolarHBondContact O-CB 3.43Å; G575-F578 PolarHBondContact O-N 2.98Å; G575-A579 WeakPolarHBondContact O-CB 3.01Å; G575-A579 PolarHBondContact O-N 2.78Å
576	K	93.1	Very high	93.7	Very high	30 Å²	30	46.1 Å²	46.1	13%	0.13	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-46.5	175.5	-177.4	166.1	-171.1	171.9	0	111.8	W516 T572 F578 A579 T580 F588	W516-K576 HydrophobicContact CD2-CD 3.58Å; W516-K576 VanDerWaalsContact CE2-CD 3.4Å; W516-K576 HydrophobicContact CE3-CD 4Å; W516-K576 HydrophobicContact CG-CD 4Å; W516-K576 HydrophobicContact CH2-CD 4.02Å; W516-K576 HydrophobicContact CZ2-CD 3.64Å; W516-K576 HydrophobicContact CZ3-CD 4.19Å; T572-K576 PolarHBondContact O-N 3.41Å; K576-F578 VanDerWaalsContact C-N 3.26Å; K576-F578 PolarHBondContact O-N 3.47Å; K576-A579 PolarHBondContact O-N 3.3Å; K576-T580 WeakPolarHBondContact O-CB 3.28Å; K576-T580 PolarHBondContact O-N 3.06Å; K576-T580 PolarHBondContact O-OG1 2.74Å; K576-T580 VanDerWaalsContact O-OG1 3.14Å; K576-F588 HydrophobicContact CB-CZ 4.28Å; K576-F588 HydrophobicContact CG-CE1 3.92Å; K576-F588 HydrophobicContact CG-CZ 3.93Å
577	L	94.1	Very high	93.6	Very high	113 Å²	113	48.3 Å²	48.3	59%	0.592	26%	0.264	S	S	*	.	H	α-helix	trans	-63.1	-31.7	176.3	-71.9	173.3	0	0	0	112.8	P573 D574	P573-L577 WeakPolarHBondContact O-CG 3.47Å; P573-L577 PolarHBondContact O-N 2.76Å; D574-L577 PolarHBondContact O-N 2.92Å
578	F	96.8	Very high	93.5	Very high	41 Å²	41	48.4 Å²	48.4	18%	0.18	27%	0.265	C	S	.	.	H	α-helix	trans	-71.2	-53.6	171.3	170.3	-103.6	0	0	0	111.7	I532 A544 R545 V548 F568 D574 G575 K576 T580 K581 Y582	I532-F578 HydrophobicContact CD1-CD1 4.17Å; I532-F578 HydrophobicContact CD1-CE1 3.59Å; I532-F578 HydrophobicContact CD1-CZ 4.08Å; A544-F578 HydrophobicContact CB-CD2 3.97Å; A544-F578 HydrophobicContact CB-CE1 4.49Å; A544-F578 HydrophobicContact CB-CE2 3.58Å; A544-F578 HydrophobicContact CB-CZ 3.88Å; A544-F578 WeakPolarHBondContact O-CZ 3.25Å; R545-F578 HydrophobicContact CB-CE2 4.28Å; V548-F578 HydrophobicContact CG2-CE1 3.85Å; V548-F578 HydrophobicContact CG2-CZ 3.83Å; F568-F578 HydrophobicContact CE1-CD1 4.23Å; F568-F578 HydrophobicContact CE1-CE1 4.02Å; F568-F578 HydrophobicContact CZ-CE1 4.22Å; D574-F578 WeakPolarHBondContact O-CB 3.45Å; D574-F578 PolarHBondContact O-N 2.96Å; G575-F578 WeakPolarHBondContact O-CB 3.43Å; G575-F578 PolarHBondContact O-N 2.98Å; K576-F578 VanDerWaalsContact C-N 3.26Å; K576-F578 PolarHBondContact O-N 3.47Å; F578-T580 PolarHBondContact O-N 2.58Å; F578-K581 CarbonylContact O-C 3.6Å; F578-K581 PolarHBondContact O-N 3.49Å; F578-K581 VanDerWaalsContact O-N 3.08Å; F578-Y582 HydrophobicContact CE1-CG 4.46Å; F578-Y582 HydrophobicContact CE2-CD2 4.27Å; F578-Y582 AromaticContact CZ-CD2 3.84Å; F578-Y582 HydrophobicContact CZ-CD2 3.84Å; F578-Y582 HydrophobicContact CZ-CG 4.07Å; F578-Y582 WeakPolarHBondContact O-CB 3.25Å; F578-Y582 PolarHBondContact O-N 3.26Å
579	A	95.9	Very high	93.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-47.5	-176.5	0	0	0	0	0	112	F568 G575 K576 K581 Y582 C583 F588	F568-A579 HydrophobicContact CD2-CB 3.91Å; F568-A579 HydrophobicContact CE1-CB 4.44Å; F568-A579 HydrophobicContact CE2-CB 3.66Å; F568-A579 HydrophobicContact CG-CB 4.42Å; F568-A579 HydrophobicContact CZ-CB 3.94Å; G575-A579 WeakPolarHBondContact O-CB 3.01Å; G575-A579 PolarHBondContact O-N 2.78Å; K576-A579 PolarHBondContact O-N 3.3Å; A579-K581 PolarHBondContact O-N 2.94Å; A579-Y582 PolarHBondContact O-N 3.1Å; A579-C583 WeakPolarHBondContact O-CB 3.33Å; A579-C583 PolarHBondContact O-N 2.77Å; A579-C583 PolarHBondContact O-SG 2.83Å; A579-C583 VanDerWaalsContact O-SG 3.42Å; A579-F588 HydrophobicContact CB-CD1 3.83Å; A579-F588 HydrophobicContact CB-CD2 3.69Å; A579-F588 HydrophobicContact CB-CE1 3.78Å; A579-F588 HydrophobicContact CB-CE2 3.62Å; A579-F588 HydrophobicContact CB-CG 3.79Å; A579-F588 HydrophobicContact CB-CZ 3.68Å
580	T	94.7	Very high	93.7	Very high	46 Å²	46	47.8 Å²	47.8	28%	0.282	26%	0.261	S	S	.	.	H	α-helix	trans	-55.4	-38.3	174.5	-62.9	0	0	0	0	112.8	K576 F578 N584 T585 P586	K576-T580 WeakPolarHBondContact O-CB 3.28Å; K576-T580 PolarHBondContact O-N 3.06Å; K576-T580 PolarHBondContact O-OG1 2.74Å; K576-T580 VanDerWaalsContact O-OG1 3.14Å; F578-T580 PolarHBondContact O-N 2.58Å; T580-N584 PolarHBondContact O-N 3.29Å; T580-T585 WeakPolarHBondContact CA-O 3.38Å; T580-P586 HydrophobicContact CG2-CB 4.18Å
581	K	96.3	Very high	93.9	Very high	155 Å²	155	45.5 Å²	45.5	67%	0.674	25%	0.248	S	C	*	.	H	α-helix	trans	-87.7	-10.8	177.5	-176.1	158.6	-175.5	161.2	0	113.9	R545 F578 A579	R545-K581 PolarHBondContact NH2-O 2.83Å; F578-K581 CarbonylContact O-C 3.6Å; F578-K581 PolarHBondContact O-N 3.49Å; F578-K581 VanDerWaalsContact O-N 3.08Å; A579-K581 PolarHBondContact O-N 2.94Å
582	Y	96.9	Very high	93.6	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-86.3	-52.4	173.2	-176.5	-88.7	0	0	0	110.3	R545 V548 D549 R552 I563 F578 A579 N584	R545-Y582 HydrophobicContact CB-CD2 4.31Å; R545-Y582 HydrophobicContact CB-CE2 4.5Å; R545-Y582 HydrophobicContact CG-CD2 4.15Å; R545-Y582 HydrophobicContact CG-CE2 4Å; V548-Y582 HydrophobicContact CB-CD2 4.29Å; V548-Y582 HydrophobicContact CB-CE1 4.29Å; V548-Y582 HydrophobicContact CB-CE2 3.82Å; V548-Y582 HydrophobicContact CG1-CD1 4.04Å; V548-Y582 HydrophobicContact CG1-CD2 4.45Å; V548-Y582 HydrophobicContact CG1-CE1 3.47Å; V548-Y582 VanDerWaalsContact CG1-CE1 3.47Å; V548-Y582 HydrophobicContact CG1-CE2 3.92Å; V548-Y582 VanDerWaalsContact CG1-CZ 3.43Å; D549-Y582 VanDerWaalsContact OD1-CE2 3.22Å; D549-Y582 WeakPolarHBondContact OD1-CE2 3.46Å; D549-Y582 VanDerWaalsContact OD1-CZ 3.3Å; D549-Y582 PolarHBondContact OD1-OH 2.69Å; R552-Y582 WeakPolarHBondContact CD-OH 3.37Å; R552-Y582 PolarHBondContact NH1-OH 3.14Å; I563-Y582 HydrophobicContact CG1-CE1 4.45Å; F578-Y582 HydrophobicContact CE1-CG 4.46Å; F578-Y582 HydrophobicContact CE2-CD2 4.27Å; F578-Y582 AromaticContact CZ-CD2 3.84Å; F578-Y582 HydrophobicContact CZ-CD2 3.84Å; F578-Y582 HydrophobicContact CZ-CG 4.07Å; F578-Y582 WeakPolarHBondContact O-CB 3.25Å; F578-Y582 PolarHBondContact O-N 3.26Å; A579-Y582 PolarHBondContact O-N 3.1Å; Y582-N584 VanDerWaalsContact C-N 3.29Å; Y582-N584 PolarHBondContact O-N 3.28Å
583	C	95.1	Very high	92.8	Very high	12 Å²	12	47.2 Å²	47.2	8%	0.081	25%	0.251	C	S	.	.	S	Bend	trans	-77.5	-9.9	-176.8	-57.4	0	0	0	0	113.9	I563 A579 T585 F588	I563-C583 HydrophobicContact CG2-CB 3.49Å; I563-C583 VanDerWaalsContact CG2-CB 3.49Å; A579-C583 WeakPolarHBondContact O-CB 3.33Å; A579-C583 PolarHBondContact O-N 2.77Å; A579-C583 PolarHBondContact O-SG 2.83Å; A579-C583 VanDerWaalsContact O-SG 3.42Å; C583-T585 HydrophobicContact CB-CG2 3.91Å; C583-T585 PolarHBondContact O-N 3.02Å; C583-T585 VanDerWaalsContact O-N 3.12Å; C583-F588 HydrophobicContact CB-CB 4.09Å
584	N	94.5	Very high	91.4	Very high	135 Å²	135	52 Å²	52	72%	0.722	27%	0.267	S	S	*	.	S	Bend	trans	56.6	18.2	-172.2	-60.9	-18.2	0	0	0	114.6	T580 Y582	T580-N584 PolarHBondContact O-N 3.29Å; Y582-N584 VanDerWaalsContact C-N 3.29Å; Y582-N584 PolarHBondContact O-N 3.28Å
585	T	92.8	Very high	89.1	Confident	41 Å²	41	56.3 Å²	56.3	25%	0.252	30%	0.304	S	S	.	.	S	Bend	trans	-138	140.3	175.5	176.9	0	0	0	0	109.7	T580 C583 N587	T580-T585 WeakPolarHBondContact CA-O 3.38Å; C583-T585 HydrophobicContact CB-CG2 3.91Å; C583-T585 PolarHBondContact O-N 3.02Å; C583-T585 VanDerWaalsContact O-N 3.12Å; T585-N587 PolarHBondContact O-N 3.48Å; T585-N587 PolarHBondContact OG1-N 2.93Å; T585-N587 VanDerWaalsContact OG1-N 3.1Å
586	P	91.2	Very high	88.9	Confident	57 Å²	57	58.6 Å²	58.6	37%	0.37	31%	0.313	S	S	.	.	S	Bend	trans	-70.7	-19	170	32.4	-36.4	0	0	0	112.3	S504 T580 F588	S504-P586 VanDerWaalsContact OG-CB 3.28Å; S504-P586 WeakPolarHBondContact OG-CB 3.34Å; S504-P586 WeakPolarHBondContact OG-CG 3.39Å; T580-P586 HydrophobicContact CG2-CB 4.18Å; P586-F588 WeakPolarHBondContact O-CD1 3.5Å; P586-F588 PolarHBondContact O-N 3.16Å
587	N	93	Very high	88.7	Confident	49 Å²	49	60.1 Å²	60.1	26%	0.262	32%	0.323	S	S	.	.	S	Bend	trans	-97.2	53.9	-178.4	-57.2	-5.9	0	0	0	111.3	R501 V502 S504 T585	R501-N587 PolarHBondContact NH1-O 3.1Å; V502-N587 VanDerWaalsContact O-CA 3.22Å; V502-N587 WeakPolarHBondContact O-CA 3.29Å; V502-N587 VanDerWaalsContact O-CB 3.28Å; V502-N587 WeakPolarHBondContact O-CB 3.5Å; V502-N587 PolarHBondContact O-OD1 3.27Å; S504-N587 PolarHBondContact N-OD1 2.79Å; S504-N587 PolarHBondContact OG-OD1 2.72Å; T585-N587 PolarHBondContact O-N 3.48Å; T585-N587 PolarHBondContact OG1-N 2.93Å; T585-N587 VanDerWaalsContact OG1-N 3.1Å
588	F	95.1	Very high	88.4	Confident	3 Å²	3	57.1 Å²	57.1	1%	0.013	31%	0.308	C	S	.	.			trans	-75.4	166.3	173.2	63.5	-90.3	0	0	0	111.3	V502 F568 P571 K576 A579 C583 P586 V590	V502-F588 HydrophobicContact CG2-CD2 4.2Å; V502-F588 HydrophobicContact CG2-CE1 4.31Å; V502-F588 HydrophobicContact CG2-CE2 3.85Å; V502-F588 HydrophobicContact CG2-CZ 3.9Å; V502-F588 PolarHBondContact N-O 2.98Å; F568-F588 AromaticContact CD2-CD2 3.85Å; F568-F588 HydrophobicContact CD2-CD2 3.85Å; F568-F588 HydrophobicContact CD2-CE2 4.24Å; F568-F588 HydrophobicContact CE2-CD2 4.4Å; P571-F588 HydrophobicContact CB-CE2 4.38Å; P571-F588 HydrophobicContact CB-CZ 4.45Å; P571-F588 HydrophobicContact CG-CE2 4.14Å; P571-F588 HydrophobicContact CG-CZ 4.28Å; K576-F588 HydrophobicContact CB-CZ 4.28Å; K576-F588 HydrophobicContact CG-CE1 3.92Å; K576-F588 HydrophobicContact CG-CZ 3.93Å; A579-F588 HydrophobicContact CB-CD1 3.83Å; A579-F588 HydrophobicContact CB-CD2 3.69Å; A579-F588 HydrophobicContact CB-CE1 3.78Å; A579-F588 HydrophobicContact CB-CE2 3.62Å; A579-F588 HydrophobicContact CB-CG 3.79Å; A579-F588 HydrophobicContact CB-CZ 3.68Å; C583-F588 HydrophobicContact CB-CB 4.09Å; P586-F588 WeakPolarHBondContact O-CD1 3.5Å; P586-F588 PolarHBondContact O-N 3.16Å; F588-V590 HydrophobicContact CD2-CG1 4.14Å; F588-V590 HydrophobicContact CE2-CG1 3.65Å
589	L	96	Very high	87.9	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	142.5	-177.5	-68.2	170.2	0	0	0	112.9	A499 F500 R501 E523 A525 N564 A567 F568	A499-L589 HydrophobicContact CB-CB 3.9Å; A499-L589 HydrophobicContact CB-CD1 4.4Å; A499-L589 HydrophobicContact CB-CD2 4.26Å; A499-L589 HydrophobicContact CB-CG 4.42Å; F500-L589 CarbonylContact O-C 3.49Å; F500-L589 WeakPolarHBondContact O-CA 3.28Å; R501-L589 HydrophobicContact CB-CD2 4.44Å; R501-L589 HydrophobicContact CG-CD2 3.6Å; R501-L589 HydrophobicContact CG-CG 4.47Å; E523-L589 HydrophobicContact CB-CD2 4.12Å; A525-L589 HydrophobicContact CB-CD1 4.32Å; N564-L589 WeakPolarHBondContact O-CD1 3.38Å; A567-L589 VanDerWaalsContact CA-O 3.31Å; A567-L589 WeakPolarHBondContact CA-O 3.08Å; A567-L589 HydrophobicContact CB-CB 3.77Å; F568-L589 PolarHBondContact N-O 3.03Å
590	V	94.9	Very high	87.4	Confident	9 Å²	9	61.7 Å²	61.7	6%	0.055	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.9	173.8	-69.3	0	0	0	0	111.9	A499 F500 V502 C518 F568 P571 F588 F593	A499-V590 CarbonylContact C-O 3.48Å; A499-V590 WeakPolarHBondContact CA-O 3.44Å; A499-V590 WeakPolarHBondContact CB-O 3.35Å; F500-V590 PolarHBondContact N-O 2.92Å; F500-V590 VanDerWaalsContact O-CG2 3.29Å; F500-V590 WeakPolarHBondContact O-CG2 3.22Å; F500-V590 PolarHBondContact O-N 2.84Å; V502-V590 HydrophobicContact CG2-CB 4.31Å; V502-V590 HydrophobicContact CG2-CG1 3.5Å; V502-V590 VanDerWaalsContact CG2-CG1 3.5Å; V502-V590 HydrophobicContact CG2-CG2 3.83Å; C518-V590 HydrophobicContact CB-CG2 4.1Å; F568-V590 WeakPolarHBondContact O-CA 3.48Å; F568-V590 WeakPolarHBondContact O-CB 3.27Å; P571-V590 HydrophobicContact CG-CG1 3.64Å; F588-V590 HydrophobicContact CD2-CG1 4.14Å; F588-V590 HydrophobicContact CE2-CG1 3.65Å; V590-F593 HydrophobicContact CG2-CD1 4.11Å; V590-F593 HydrophobicContact CG2-CE1 4.26Å
591	Y	93	Very high	86.9	Confident	17 Å²	17	62.7 Å²	62.7	7%	0.067	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	177.4	174.6	76.9	-73.4	0	0	0	109.9	E494 I496 G528 S530 A567 F568 S569 F593	E494-Y591 HydrophobicContact CG-CE2 4.4Å; E494-Y591 WeakPolarHBondContact OE1-CE2 3.1Å; E494-Y591 PolarHBondContact OE1-OH 2.72Å; I496-Y591 HydrophobicContact CD1-CD1 4.27Å; I496-Y591 HydrophobicContact CD1-CG 4.35Å; I496-Y591 HydrophobicContact CG2-CD2 3.87Å; I496-Y591 HydrophobicContact CG2-CE2 3.77Å; I496-Y591 HydrophobicContact CG2-CG 4.39Å; G528-Y591 VanDerWaalsContact C-OH 3.29Å; G528-Y591 WeakPolarHBondContact CA-OH 3.31Å; G528-Y591 PolarHBondContact O-OH 3.42Å; S530-Y591 VanDerWaalsContact CA-OH 3.22Å; S530-Y591 WeakPolarHBondContact CA-OH 3.29Å; S530-Y591 WeakPolarHBondContact CB-OH 3.44Å; S530-Y591 PolarHBondContact N-OH 3.36Å; A567-Y591 HydrophobicContact CB-CD1 3.75Å; A567-Y591 HydrophobicContact CB-CE1 4.5Å; F568-Y591 PolarHBondContact O-N 2.71Å; S569-Y591 WeakPolarHBondContact CA-O 3.4Å; S569-Y591 VanDerWaalsContact N-CE1 3.27Å; Y591-F593 PolarHBondContact O-N 3.46Å
592	N	83.9	Confident	86.2	Confident	48 Å²	48	56.1 Å²	56.1	26%	0.257	32%	0.315	S	S	.	.	S	Bend	trans	61.2	8.2	178.6	-158.2	82	0	0	0	116.3
593	F	73.4	Confident	85.4	Confident	60 Å²	60	60.2 Å²	60.2	26%	0.263	34%	0.338	S	S	.	.			trans	-68.5	149.1	168.4	61.2	-92.2	0	0	0	110.3	F500 C518 D570 V590 Y591	F500-F593 HydrophobicContact CB-CE1 3.84Å; F500-F593 HydrophobicContact CB-CZ 4.02Å; F500-F593 HydrophobicContact CD1-CZ 4.18Å; F500-F593 AromaticContact CD2-CE1 3.38Å; F500-F593 HydrophobicContact CD2-CE1 3.38Å; F500-F593 AromaticContact CD2-CZ 3.46Å; F500-F593 HydrophobicContact CD2-CZ 3.46Å; F500-F593 VanDerWaalsContact CD2-CZ 3.46Å; F500-F593 HydrophobicContact CE2-CE1 4.08Å; F500-F593 AromaticContact CE2-CZ 3.86Å; F500-F593 HydrophobicContact CE2-CZ 3.86Å; F500-F593 AromaticContact CG-CE1 3.76Å; F500-F593 HydrophobicContact CG-CE1 3.76Å; F500-F593 AromaticContact CG-CZ 3.63Å; F500-F593 HydrophobicContact CG-CZ 3.63Å; F500-F593 HydrophobicContact CZ-CZ 4.36Å; C518-F593 HydrophobicContact CB-CE1 4.14Å; C518-F593 HydrophobicContact CB-CZ 4.2Å; C518-F593 WeakPolarHBondContact SG-CE2 3.14Å; C518-F593 WeakPolarHBondContact SG-CZ 3.43Å; D570-F593 WeakPolarHBondContact OD1-CA 3.27Å; V590-F593 HydrophobicContact CG2-CD1 4.11Å; V590-F593 HydrophobicContact CG2-CE1 4.26Å; Y591-F593 PolarHBondContact O-N 3.46Å
594	H	62.6	Low	84.6	Confident	169 Å²	169	64.3 Å²	64.3	78%	0.782	36%	0.36	S	S	*	.			trans	-86.7	140.1	168.2	-61.3	66.7	0	0	0	108
595	S	44.9	Very low	83.7	Confident	180 Å²	180	57.8 Å²	57.8	100%	1.259	33%	0.327	S	S	*	.			trans	-87.5	0	177.9	-173.4	0	0	0	0	112.8

Retrieved 595 of 595 residues in 89.1 ms (Link to these results)

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