A0A087XYK1_POEFO Loading...

Microprocessor complex subunit DGCR8

AlphaFold DB , UniProt , Accession A0A087XYK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 783 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	32.9	Very low	41.7	Very low	221 Å²	221	144.5 Å²	144.5	100%	1.089	82%	0.823	S	S	*	*				0	78.7	0	-64.9	-175.4	-174.1	0	0	109.2
2	D	36.2	Very low	41.5	Very low	144 Å²	144	146.9 Å²	146.9	77%	0.77	83%	0.83	S	S	*	*			cis	155.6	141	-2.2	-80.8	-23.4	0	0	0	102.2
3	S	37.8	Very low	41.3	Very low	111 Å²	111	150.2 Å²	150.2	78%	0.776	83%	0.834	S	S	*	*			cis	-145.7	-178.2	10.3	-56.9	0	0	0	0	111.6
4	D	43.3	Very low	41.7	Very low	140 Å²	140	147.9 Å²	147.9	75%	0.749	83%	0.83	S	S	*	*			trans	-84.6	163	-174.2	-52.4	-96	0	0	0	117.2
5	D	43.3	Very low	42.1	Very low	156 Å²	156	145.3 Å²	145.3	83%	0.834	82%	0.821	S	S	*	*			trans	161.6	109.8	132.5	-92	-22.6	0	0	0	108.3
6	V	39.2	Very low	41.6	Very low	120 Å²	120	145.4 Å²	145.4	73%	0.727	82%	0.819	S	S	*	*			cis	83.6	104.3	40	-172.8	0	0	0	0	113.8
7	L	43.7	Very low	41.3	Very low	163 Å²	163	144.5 Å²	144.5	85%	0.853	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-102.9	138.6	168.5	-71.4	167.9	0	0	0	110.1
8	P	44.3	Very low	40.7	Very low	119 Å²	119	148 Å²	148	77%	0.773	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-89.3	132.1	174.6	33.2	-32.2	0	0	0	112.9
9	P	47.8	Very low	40.5	Very low	121 Å²	121	145.2 Å²	145.2	79%	0.786	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-92.1	169.8	169.8	36.4	-34.2	0	0	0	113.3
10	L	44.2	Very low	40.3	Very low	173 Å²	173	145.9 Å²	145.9	91%	0.906	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.8	147.1	175.5	-59.9	168.2	0	0	0	112.8
11	P	45.8	Very low	40	Very low	122 Å²	122	145.1 Å²	145.1	79%	0.792	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-101.4	155.6	160.5	36	-29.3	0	0	0	113.1
12	L	39	Very low	40	Very low	173 Å²	173	142.1 Å²	142.1	91%	0.906	79%	0.788	S	S	*	*			trans	-104.2	168.8	176.3	-78.9	152.9	0	0	0	111.6
13	E	39.6	Very low	39.8	Very low	189 Å²	189	141.5 Å²	141.5	88%	0.883	79%	0.794	S	S	*	*			trans	-71.1	150.9	174.6	-60.1	172.9	126.8	0	0	113.5
14	P	47.1	Very low	39.8	Very low	119 Å²	119	148.2 Å²	148.2	77%	0.773	80%	0.802	S	S	*	*			trans	-123.3	164.5	151.1	33.5	-19.4	0	0	0	113.2
15	P	47.8	Very low	39.5	Very low	108 Å²	108	146 Å²	146	70%	0.701	80%	0.803	S	S	*	*			trans	-127.8	179.7	-145.9	44.9	-32.6	0	0	0	117.8
16	D	34.1	Very low	39.7	Very low	148 Å²	148	144.1 Å²	144.1	79%	0.791	80%	0.799	S	S	*	*			trans	67.9	112.5	147.1	-63	-21.1	0	0	0	124.2
17	D	35.3	Very low	40.4	Very low	129 Å²	129	144 Å²	144	69%	0.69	80%	0.802	S	S	*	*				72.3	122.6	122.8	-159.9	24.1	0	0	0	122.4
18	F	32.2	Very low	40.4	Very low	208 Å²	208	142 Å²	142	91%	0.912	80%	0.798	S	S	*	*				-166.5	159.1	129	-100.5	-65.2	0	0	0	109.9
19	S	36.7	Very low	40.4	Very low	95 Å²	95	142 Å²	142	66%	0.664	80%	0.798	S	S	*	*			trans	-126.4	173.2	-164.1	53.8	0	0	0	0	115.5
20	L	35.6	Very low	40.5	Very low	158 Å²	158	141.9 Å²	141.9	83%	0.827	80%	0.797	S	S	*	*			trans	81.7	137.9	179.6	-57.2	167.5	0	0	0	115
21	D	33.5	Very low	40.1	Very low	130 Å²	130	141 Å²	141	70%	0.695	79%	0.793	S	S	*	*			cis	-159.5	174.2	0.5	-151.7	-9.2	0	0	0	113.6
22	Q	34.2	Very low	39.4	Very low	158 Å²	158	143.3 Å²	143.3	74%	0.738	79%	0.793	S	S	*	*			trans	86.5	140.4	153.1	-74.6	175.1	56.2	0	0	124
23	C	31.9	Very low	39.2	Very low	132 Å²	132	141.4 Å²	141.4	89%	0.892	79%	0.789	S	S	*	*			trans	78.2	130	157.3	-71	0	0	0	0	120.8
24	R	37.6	Very low	39.2	Very low	251 Å²	251	138 Å²	138	95%	0.947	79%	0.786	S	S	*	*			trans	-137.4	127.7	-172.5	174.8	-169.7	-176.7	-169.3	3.4	111
25	A	36.1	Very low	39	Very low	94 Å²	94	137.8 Å²	137.8	78%	0.777	79%	0.787	S	S	*	*			trans	-152	142.5	164	0	0	0	0	0	111.5
26	P	49.3	Very low	38.5	Very low	116 Å²	116	140.3 Å²	140.3	75%	0.753	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-90.6	167.7	178.1	36.7	-35.4	0	0	0	113.5
27	P	52.3	Low	38.7	Very low	119 Å²	119	137 Å²	137	77%	0.773	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-72.7	160.6	178.4	29.9	-36.4	0	0	0	114.5
28	P	44.4	Very low	39	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-83.9	163.3	-172.8	34	-37.1	0	0	0	115.5
29	P	44.9	Very low	39.4	Very low	117 Å²	117	136.1 Å²	136.1	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-96.6	168.7	-173.2	38.9	-37.4	0	0	0	115.3
30	P	49.4	Very low	39.4	Very low	120 Å²	120	140.6 Å²	140.6	78%	0.779	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-98.8	129.4	176.7	36	-30.9	0	0	0	114.3
31	L	34.4	Very low	39.4	Very low	155 Å²	155	139 Å²	139	81%	0.812	80%	0.796	S	S	*	*			trans	-151	163	165.2	-71.9	-178.3	0	0	0	107.5
32	Q	32.8	Very low	39.5	Very low	170 Å²	170	138.9 Å²	138.9	79%	0.794	80%	0.8	S	S	*	*			cis	-152.2	175.1	13.8	-150.1	160.6	-20	0	0	112.5
33	T	35	Very low	39.4	Very low	133 Å²	133	135.9 Å²	135.9	82%	0.816	80%	0.796	S	S	*	*			trans	-103	164.3	179.7	50.5	0	0	0	0	113.9
34	S	39.7	Very low	39.7	Very low	118 Å²	118	135.7 Å²	135.7	83%	0.825	80%	0.796	S	S	*	*			trans	-130.2	117	149.9	53.7	0	0	0	0	107.8
35	S	42.3	Very low	39.4	Very low	114 Å²	114	127.6 Å²	127.6	80%	0.797	79%	0.791	S	S	*	*				87.8	101.3	52.5	-177.4	0	0	0	0	112.7
36	D	37.3	Very low	39.2	Very low	161 Å²	161	126.7 Å²	126.7	86%	0.861	79%	0.79	S	S	*	*				-153.9	171.9	126.5	-150.5	-2	0	0	0	111.2
37	A	37.9	Very low	38.5	Very low	79 Å²	79	129.5 Å²	129.5	65%	0.653	80%	0.799	S	S	*	*			trans	-88	-177.9	-173.6	0	0	0	0	0	112.6
38	E	41.2	Very low	37.5	Very low	193 Å²	193	127 Å²	127	90%	0.902	80%	0.796	S	S	*	*			cis	-138.5	-177	29.7	-75.2	-160.3	137.7	0	0	115.5
39	V	41.6	Very low	36.8	Very low	124 Å²	124	129.9 Å²	129.9	75%	0.752	80%	0.798	S	S	*	*			trans	-108.4	146	-167.3	172.9	0	0	0	0	111.7
40	M	35.1	Very low	36.2	Very low	190 Å²	190	129.3 Å²	129.3	94%	0.936	79%	0.792	S	S	*	*			trans	-148.8	144.5	137.6	-96.8	-55.1	162.4	0	0	111
41	D	37.2	Very low	35.3	Very low	124 Å²	124	134 Å²	134	66%	0.663	80%	0.796	S	S	*	*			trans	-109.2	155.3	-177.1	170.3	37	0	0	0	110.5	S43	D41-S43 PolarHBondContact OD1-N 3.17Å
42	V	35.4	Very low	35.2	Very low	128 Å²	128	132.5 Å²	132.5	78%	0.776	79%	0.794	S	S	*	*				-173.7	112.3	126.6	-91.9	0	0	0	0	114.2
43	S	31.9	Very low	35.7	Very low	94 Å²	94	130.7 Å²	130.7	66%	0.657	80%	0.796	S	S	*	*				72.7	139.3	124.8	-59	0	0	0	0	124.3	D41	D41-S43 PolarHBondContact OD1-N 3.17Å
44	S	38.8	Very low	35.4	Very low	128 Å²	128	127.9 Å²	127.9	90%	0.895	79%	0.794	S	S	*	*			trans	66.5	131.6	158.5	-59.4	0	0	0	0	119.1
45	G	30.9	Very low	35	Very low	82 Å²	82	130.7 Å²	130.7	85%	0.845	80%	0.8	S	S	*	*			cis	116.4	135.7	6	0	0	0	0	0	111.8
46	G	31.4	Very low	34.4	Very low	74 Å²	74	129.1 Å²	129.1	76%	0.763	80%	0.802	S	S	*	*			cis	-170.8	-155.3	2.1	0	0	0	0	0	113
47	D	35.3	Very low	34	Very low	175 Å²	175	130.8 Å²	130.8	94%	0.936	81%	0.805	S	S	*	*			trans	-45.2	167	-175.6	-42.3	-47	0	0	0	118.1
48	G	30.9	Very low	33.6	Very low	68 Å²	68	131 Å²	131	70%	0.701	81%	0.806	S	S	*	*			cis	161.2	170.3	-2.5	0	0	0	0	0	114.3
49	H	30.5	Very low	33.1	Very low	180 Å²	180	130.8 Å²	130.8	83%	0.833	80%	0.802	S	S	*	*			trans	58.9	106.4	162.2	-71.6	-48.2	0	0	0	124.9
50	T	31.2	Very low	32.4	Very low	105 Å²	105	130.9 Å²	130.9	64%	0.644	80%	0.803	S	S	*	*				23.7	127.3	121.3	54.7	0	0	0	0	122.9
51	Y	29.6	Very low	32	Very low	220 Å²	220	129.8 Å²	129.8	86%	0.863	80%	0.796	S	S	*	*				-178.3	176.5	98.9	-108.4	-76.7	0	0	0	113.8
52	T	33.9	Very low	31.5	Very low	123 Å²	123	131.8 Å²	131.8	76%	0.755	80%	0.801	S	S	*	*			trans	-96.4	168.5	-174.3	56.4	0	0	0	0	113.5
53	P	42.7	Very low	31	Very low	131 Å²	131	131.2 Å²	131.2	85%	0.851	80%	0.801	S	S	*	*				-156.8	176.4	91.6	42.1	-23.6	0	0	0	117.2
54	G	27.8	Very low	30.5	Very low	75 Å²	75	135 Å²	135	77%	0.773	81%	0.811	S	S	*	*			trans	123.5	125.4	144.8	0	0	0	0	0	119.2
55	D	31.8	Very low	30	Very low	177 Å²	177	133 Å²	133	95%	0.947	80%	0.797	S	S	*	*			trans	-79	164.4	177.4	-54.4	-80.8	0	0	0	115.4
56	G	29.3	Very low	29.7	Very low	81 Å²	81	137.7 Å²	137.7	84%	0.835	80%	0.797	S	S	*	*			trans	175.9	132.4	165.7	0	0	0	0	0	114.8
57	E	30.3	Very low	29.4	Very low	196 Å²	196	139 Å²	139	92%	0.916	80%	0.795	S	S	*	*			trans	-88.9	155.8	-172.9	-66.5	-174.8	93.5	0	0	116.4
58	A	29.3	Very low	29.1	Very low	83 Å²	83	135.9 Å²	135.9	69%	0.686	79%	0.786	S	S	*	*			trans	85.5	128.7	138.1	0	0	0	0	0	123.3
59	K	30	Very low	28.9	Very low	188 Å²	188	139.5 Å²	139.5	82%	0.817	79%	0.789	S	S	*	*			trans	79.8	98.2	136.2	-78.4	177.8	-179.5	176	0	122.4
60	T	26.8	Very low	28.7	Very low	127 Å²	127	137.1 Å²	137.1	78%	0.779	78%	0.781	S	S	*	*				68.2	146.7	123.9	46.6	0	0	0	0	123.2
61	Q	28.1	Very low	28.4	Very low	166 Å²	166	139.8 Å²	139.8	78%	0.776	78%	0.784	S	S	*	*			trans	82.6	103.9	162	-68.9	-173.2	-91.6	0	0	120.6
62	E	25.9	Very low	28.2	Very low	166 Å²	166	134.7 Å²	134.7	78%	0.776	78%	0.779	S	S	*	*				40.6	117.2	123	-67	177.1	114.1	0	0	122.1
63	C	24	Very low	27.8	Very low	116 Å²	116	133 Å²	133	78%	0.784	77%	0.772	S	S	*	*				41.3	105.9	129.2	-64.9	0	0	0	0	121.2
64	M	22.3	Very low	27	Very low	175 Å²	175	134.3 Å²	134.3	86%	0.862	77%	0.766	S	S	*	*			trans	-105.9	135.8	138	-59.6	-90.9	79.4	0	0	106.6
65	S	27.5	Very low	27.1	Very low	85 Å²	85	137.8 Å²	137.8	59%	0.594	77%	0.767	S	S	*	*			cis	109.4	125.8	18.3	73.4	0	0	0	0	113.6
66	E	25	Very low	27	Very low	181 Å²	181	134.6 Å²	134.6	85%	0.846	76%	0.758	S	S	*	*			trans	70	144.4	155.5	-61.7	-152.4	118.7	0	0	123.7
67	S	25.8	Very low	26.9	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	76%	0.757	S	S	*	*			trans	69.6	122.9	149.1	67.7	0	0	0	0	118.6
68	S	27.9	Very low	26.9	Very low	108 Å²	108	135.9 Å²	135.9	76%	0.755	76%	0.755	S	S	*	*				71.8	145.4	69.8	-52.8	0	0	0	0	113
69	L	26.6	Very low	26.9	Very low	144 Å²	144	136.9 Å²	136.9	75%	0.754	76%	0.763	S	S	*	*			cis	-165.4	153.6	43.9	-75.1	165.1	0	0	0	112.3
70	I	26.4	Very low	27.1	Very low	130 Å²	130	133.1 Å²	133.1	67%	0.667	76%	0.761	S	S	*	*			trans	65.8	156	133.7	-67.7	175.1	0	0	0	118.4
71	F	24.7	Very low	27.7	Very low	162 Å²	162	133 Å²	133	71%	0.711	76%	0.762	S	S	*	*			cis	-134.1	168.4	5.5	-127	-39.1	0	0	0	110.1
72	C	25.3	Very low	27.9	Very low	112 Å²	112	132.3 Å²	132.3	76%	0.757	76%	0.764	S	S	*	*				-164.7	139.4	74	-115	0	0	0	0	114.6
73	S	25.8	Very low	28.7	Very low	89 Å²	89	129.5 Å²	129.5	62%	0.622	76%	0.76	S	S	*	*			trans	38.7	103.8	151.3	60.5	0	0	0	0	122.3
74	H	26.9	Very low	28.9	Very low	157 Å²	157	135.4 Å²	135.4	73%	0.727	77%	0.766	S	S	*	*				17	149.4	106.6	-63	-68.9	0	0	0	119.1
75	L	29.8	Very low	29.4	Very low	149 Å²	149	133 Å²	133	78%	0.78	76%	0.764	S	S	*	*			cis	-169.2	172.6	5.3	-109.4	167.5	0	0	0	106.6
76	S	28.9	Very low	30.2	Very low	109 Å²	109	133.8 Å²	133.8	76%	0.762	77%	0.768	S	S	*	*			cis	-155	-162.5	1.1	-164.3	0	0	0	0	109.1
77	S	27.6	Very low	30.5	Very low	115 Å²	115	136 Å²	136	80%	0.804	77%	0.768	S	S	*	*			trans	-148.6	135.2	167.5	-178.4	0	0	0	0	112.9
78	E	30.7	Very low	30.9	Very low	190 Å²	190	137.5 Å²	137.5	89%	0.888	77%	0.773	S	S	*	*			trans	-161.4	159.5	161.1	-139.4	-178.9	-176.8	0	0	113.4
79	A	29.2	Very low	31.1	Very low	103 Å²	103	137 Å²	137	85%	0.851	78%	0.775	S	S	*	*			trans	70.5	151.9	166.9	0	0	0	0	0	120.7
80	S	34	Very low	31.5	Very low	110 Å²	110	140.9 Å²	140.9	77%	0.769	78%	0.78	S	S	*	*			trans	-124.3	158.9	178	75.8	0	0	0	0	108.9
81	P	38.8	Very low	32	Very low	123 Å²	123	143.2 Å²	143.2	80%	0.799	79%	0.788	S	S	*	*				-150.4	-175.3	62.4	40.4	-19	0	0	0	117.1
82	N	32.5	Very low	32.5	Very low	153 Å²	153	139.5 Å²	139.5	82%	0.818	79%	0.787	S	S	*	*			trans	-57	161	165.5	-86.5	-43.5	0	0	0	113
83	P	43.8	Very low	33.1	Very low	107 Å²	107	140.3 Å²	140.3	70%	0.695	79%	0.791	S	S	*	*			cis	-154.6	-177.2	38.1	46.2	-26.2	0	0	0	120.1
84	R	28.3	Very low	33.6	Very low	239 Å²	239	145 Å²	145	90%	0.902	80%	0.803	S	S	*	*			trans	85.9	145.5	158.4	-66.9	179.7	-179.8	-177.6	0.1	119.7
85	C	31.7	Very low	34	Very low	124 Å²	124	144.3 Å²	144.3	84%	0.838	81%	0.809	S	S	*	*			trans	-98.1	-173.5	-166.9	-37.6	0	0	0	0	111.4
86	P	44.3	Very low	34.4	Very low	102 Å²	102	142.5 Å²	142.5	66%	0.662	81%	0.805	S	S	*	*			cis	-145.6	-176.3	13.1	45.2	-25.8	0	0	0	118.6
87	R	32.6	Very low	34.8	Very low	229 Å²	229	146.7 Å²	146.7	86%	0.864	81%	0.809	S	S	*	*			trans	70.3	149.1	162.1	-77.9	179.5	164.3	107.6	-2.6	116.5
88	T	33.9	Very low	35.1	Very low	133 Å²	133	150.8 Å²	150.8	82%	0.816	81%	0.813	S	S	*	*			cis	-130.8	168.1	-1.3	42.5	0	0	0	0	112.7
89	A	31.6	Very low	35.6	Very low	96 Å²	96	149 Å²	149	79%	0.793	81%	0.808	S	S	*	*			trans	-66.4	153.2	-171.2	0	0	0	0	0	117.8
90	R	35.3	Very low	36.2	Very low	226 Å²	226	149.3 Å²	149.3	85%	0.853	80%	0.802	S	S	*	*			trans	-163.5	148.2	148.9	-112.3	176.3	-159.3	-137	4.9	113.1
91	H	36.7	Very low	36.6	Very low	179 Å²	179	148.2 Å²	148.2	83%	0.829	79%	0.787	S	S	*	*			trans	68.4	157	169.1	-64.7	-68.2	0	0	0	120.5
92	A	35.7	Very low	37	Very low	84 Å²	84	148.7 Å²	148.7	69%	0.694	78%	0.783	S	S	*	*			trans	-107.4	162.7	-163.5	0	0	0	0	0	112.3
93	P	36.2	Very low	37.7	Very low	129 Å²	129	148.9 Å²	148.9	84%	0.838	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-69	153.3	-176.7	28.4	-36.2	0	0	0	113.7
94	Q	36.7	Very low	37.9	Very low	188 Å²	188	151.6 Å²	151.6	88%	0.879	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-85.2	138	179	-61.4	-179.8	3	0	0	111.4	T96	Q94-T96 PolarHBondContact O-N 3.01Å
95	V	35	Very low	38.7	Very low	142 Å²	142	146.6 Å²	146.6	86%	0.861	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-78.2	119.2	177.2	-179.1	0	0	0	0	110.2
96	T	38	Very low	39.2	Very low	112 Å²	112	149.8 Å²	149.8	69%	0.687	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-72.8	125.1	176.7	48.5	0	0	0	0	111.6	Q94 F98	Q94-T96 PolarHBondContact O-N 3.01Å; T96-F98 PolarHBondContact O-N 3.3Å
97	K	38.2	Very low	39.1	Very low	196 Å²	196	152.6 Å²	152.6	85%	0.852	77%	0.774	S	S	*	*			trans	-71.1	110.2	173	-64.4	179.1	-178.2	177.3	0	110.1	L99	K97-L99 PolarHBondContact O-N 3.24Å
98	F	34.4	Very low	39.4	Very low	202 Å²	202	146.3 Å²	146.3	89%	0.886	76%	0.761	S	S	*	*			trans	-70	117.5	165.2	-97.3	-92.7	0	0	0	109.8	T96	T96-F98 PolarHBondContact O-N 3.3Å
99	L	39.9	Very low	39.4	Very low	151 Å²	151	148.5 Å²	148.5	79%	0.791	76%	0.759	S	S	*	*			trans	-119.1	125.3	164.6	-74.6	170.5	0	0	0	107.6	K97	K97-L99 PolarHBondContact O-N 3.24Å
100	P	42.7	Very low	39.7	Very low	111 Å²	111	150.6 Å²	150.6	72%	0.721	76%	0.755	S	S	*	*			trans	-73.2	137.6	176.3	29.8	-33.4	0	0	0	110.8	L102	P100-L102 PolarHBondContact O-N 3.01Å
101	D	41.8	Very low	39.6	Very low	86 Å²	86	149.8 Å²	149.8	46%	0.46	75%	0.753	S	S	.	*			trans	-74.2	112.9	177.7	-176.2	4.8	0	0	0	111.3	K103 Q104	D101-K103 PolarHBondContact O-N 2.97Å; D101-K103 WeakPolarHBondContact OD1-CB 3.12Å; D101-K103 WeakPolarHBondContact OD1-CG 3.36Å; D101-K103 PolarHBondContact OD1-N 3.18Å; D101-Q104 PolarHBondContact O-N 2.83Å; D101-Q104 VanDerWaalsContact O-N 3.1Å
102	L	48.8	Very low	39.5	Very low	133 Å²	133	146.2 Å²	146.2	70%	0.696	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-2.9	177.5	-63.7	174.3	0	0	0	114.1	P100	P100-L102 PolarHBondContact O-N 3.01Å
103	K	47.3	Very low	39.4	Very low	157 Å²	157	149.3 Å²	149.3	68%	0.683	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-22.4	171.1	-64.3	170.8	-178.1	173.7	0	113.6	D101	D101-K103 PolarHBondContact O-N 2.97Å; D101-K103 WeakPolarHBondContact OD1-CB 3.12Å; D101-K103 WeakPolarHBondContact OD1-CG 3.36Å; D101-K103 PolarHBondContact OD1-N 3.18Å
104	Q	47.8	Very low	39.2	Very low	164 Å²	164	151.8 Å²	151.8	77%	0.766	75%	0.746	S	S	*	*	S	Bend	trans	-83.5	-9.5	-179.8	-67.4	-171.4	-20.3	0	0	114.1	D101 R106	D101-Q104 PolarHBondContact O-N 2.83Å; D101-Q104 VanDerWaalsContact O-N 3.1Å; Q104-R106 VanDerWaalsContact C-N 3.34Å; Q104-R106 PolarHBondContact O-N 2.85Å
105	L	43.3	Very low	39.1	Very low	135 Å²	135	148 Å²	148	71%	0.707	74%	0.74	S	S	*	*	S	Bend	trans	-95.6	41	177.7	-70.7	173.5	0	0	0	113.2
106	R	43.4	Very low	39	Very low	190 Å²	190	150.1 Å²	150.1	72%	0.717	74%	0.741	S	S	*	*	S	Bend	trans	-121	134.6	171	-57.7	-176.1	-172.3	-165.3	0.3	108.3	Q104	Q104-R106 VanDerWaalsContact C-N 3.34Å; Q104-R106 PolarHBondContact O-N 2.85Å
107	N	42.2	Very low	38.7	Very low	161 Å²	161	149.9 Å²	149.9	86%	0.861	74%	0.743	S	S	*	*			trans	86.9	14.3	179.5	-49.6	-20.6	0	0	0	118.9	K109	N107-K109 PolarHBondContact O-N 3.16Å
108	V	38.2	Very low	38.4	Very low	98 Å²	98	146.6 Å²	146.6	59%	0.594	75%	0.745	S	S	*	*			trans	-75.5	89.6	163.8	-176.4	0	0	0	0	109.9	I110	V108-I110 HydrophobicContact CG1-CG1 4.22Å; V108-I110 PolarHBondContact O-N 2.65Å
109	K	34.5	Very low	38.3	Very low	179 Å²	179	142.6 Å²	142.6	78%	0.778	74%	0.742	S	S	*	*			trans	-94.5	81.1	-173.4	-166.4	172.2	-173.4	171.9	0	112.3	N107 R111	N107-K109 PolarHBondContact O-N 3.16Å; K109-R111 PolarHBondContact O-N 2.86Å
110	I	38	Very low	37.8	Very low	139 Å²	139	140.6 Å²	140.6	71%	0.713	74%	0.741	S	S	*	*			trans	-65.8	115.9	177.3	-53.6	178.1	0	0	0	110	V108 V112	V108-I110 HydrophobicContact CG1-CG1 4.22Å; V108-I110 PolarHBondContact O-N 2.65Å; I110-V112 HydrophobicContact CG2-CG2 4.2Å
111	R	32.6	Very low	37.2	Very low	210 Å²	210	140 Å²	140	79%	0.792	74%	0.739	S	S	*	*			trans	-103.7	126.9	163.6	-89.6	-176.8	164.8	170.3	-5.8	109.3	K109	K109-R111 PolarHBondContact O-N 2.86Å
112	V	35.6	Very low	36.8	Very low	103 Å²	103	142 Å²	142	62%	0.624	76%	0.755	S	S	*	*			trans	-107.2	105.9	167.6	-177.7	0	0	0	0	107.2	I110 F114	I110-V112 HydrophobicContact CG2-CG2 4.2Å; V112-F114 HydrophobicContact CB-CE2 4.41Å; V112-F114 HydrophobicContact CG1-CD2 4.28Å; V112-F114 HydrophobicContact CG1-CE2 3.73Å; V112-F114 HydrophobicContact CG1-CZ 4.03Å
113	N	32.4	Very low	35.9	Very low	149 Å²	149	141.4 Å²	141.4	80%	0.797	76%	0.762	S	S	*	*			trans	-84.3	127.7	173.7	-104.8	39.8	0	0	0	109.6
114	F	33.2	Very low	35.3	Very low	181 Å²	181	141.5 Å²	141.5	79%	0.794	77%	0.77	S	S	*	*			trans	-99.2	120.8	167.3	-68.3	-93.3	0	0	0	108.6	V112	V112-F114 HydrophobicContact CB-CE2 4.41Å; V112-F114 HydrophobicContact CG1-CD2 4.28Å; V112-F114 HydrophobicContact CG1-CE2 3.73Å; V112-F114 HydrophobicContact CG1-CZ 4.03Å
115	S	34.5	Very low	34.6	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	78%	0.775	S	S	*	*			trans	-100.8	91.7	170.6	57.5	0	0	0	0	109.3
116	E	32	Very low	34.2	Very low	187 Å²	187	139.2 Å²	139.2	87%	0.874	78%	0.777	S	S	*	*			trans	-71.4	135.7	159.6	-66.6	-167.3	136.5	0	0	108.7
117	S	32.2	Very low	33.7	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	78%	0.781	S	S	*	*			trans	-147.5	107.8	178.1	-64.3	0	0	0	0	108.4	S119	S117-S119 PolarHBondContact O-N 2.69Å
118	S	31.2	Very low	33.4	Very low	128 Å²	128	131.5 Å²	131.5	90%	0.895	78%	0.776	S	S	*	*			trans	-89.1	106.7	-171	-56.3	0	0	0	0	111.5
119	S	32.3	Very low	33.1	Very low	118 Å²	118	136.6 Å²	136.6	83%	0.825	79%	0.79	S	S	*	*			trans	-148.7	134.6	163	61.7	0	0	0	0	112.1	S117	S117-S119 PolarHBondContact O-N 2.69Å
120	S	30.1	Very low	33	Very low	109 Å²	109	136 Å²	136	76%	0.762	80%	0.795	S	S	*	*			trans	-70.5	165.7	-175	52.3	0	0	0	0	115.7
121	S	30.6	Very low	32.9	Very low	97 Å²	97	140.6 Å²	140.6	68%	0.678	80%	0.804	S	S	*	*			trans	97.4	111.2	147	-55.3	0	0	0	0	120.4
122	T	31.8	Very low	32.9	Very low	130 Å²	130	139.6 Å²	139.6	80%	0.798	81%	0.805	S	S	*	*			trans	74.3	139	137.4	54.6	0	0	0	0	122.7
123	S	31.4	Very low	32.8	Very low	119 Å²	119	140.5 Å²	140.5	83%	0.832	81%	0.811	S	S	*	*			trans	85.1	152	160.1	79.7	0	0	0	0	118.6
124	N	32.8	Very low	32.7	Very low	159 Å²	159	140.4 Å²	140.4	85%	0.85	81%	0.809	S	S	*	*			trans	-90.6	149.3	-169.4	-58.6	-44.3	0	0	0	112.2
125	V	33.4	Very low	32.7	Very low	144 Å²	144	141.3 Å²	141.3	87%	0.873	81%	0.809	S	S	*	*				-179.6	157.5	124.5	144	0	0	0	0	110.1
126	S	35.2	Very low	32.9	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	81%	0.811	S	S	*	*			trans	-82.5	136.8	-176.5	54.5	0	0	0	0	114.9
127	S	33.3	Very low	32.9	Very low	116 Å²	116	137.3 Å²	137.3	81%	0.811	81%	0.808	S	S	*	*			trans	-158	154.4	149.8	61.4	0	0	0	0	111.5
128	G	35.2	Very low	32.8	Very low	72 Å²	72	142.1 Å²	142.1	74%	0.742	82%	0.819	S	S	*	*			trans	-71.6	157.6	176.2	0	0	0	0	0	113.1
129	K	31.6	Very low	32.8	Very low	206 Å²	206	139.6 Å²	139.6	90%	0.896	81%	0.814	S	S	*	*			trans	-98	97.5	174.4	-77.1	-174.3	174.6	-179.6	0	111.2
130	D	32.5	Very low	32.7	Very low	165 Å²	165	142.3 Å²	142.3	88%	0.882	81%	0.813	S	S	*	*			trans	-62.3	142.8	166.2	-83.3	-46.2	0	0	0	111.6
131	R	35.8	Very low	32.7	Very low	236 Å²	236	143.8 Å²	143.8	89%	0.891	81%	0.808	S	S	*	*			trans	-109.4	90	179.4	-66.5	178.9	66.8	148.3	0.8	109.7
132	K	33.2	Very low	32.6	Very low	190 Å²	190	145.8 Å²	145.8	83%	0.826	82%	0.816	S	S	*	*			trans	-85.1	115.9	-178.9	-153.2	172.4	-170.6	177.3	0	110.9
133	V	34.4	Very low	32.4	Very low	122 Å²	122	142.1 Å²	142.1	74%	0.739	80%	0.804	S	S	*	*			trans	-99.9	129	171.3	-179.6	0	0	0	0	108.1
134	L	30.4	Very low	32.3	Very low	146 Å²	146	142.5 Å²	142.5	76%	0.764	81%	0.807	S	S	*	*			trans	-108.2	126.5	175.6	-87.9	155.5	0	0	0	109.4
135	Y	32.2	Very low	32.1	Very low	200 Å²	200	143.5 Å²	143.5	78%	0.784	81%	0.806	S	S	*	*			trans	-100.7	135.8	167.1	-106.2	-100.5	0	0	0	108.7
136	T	39.2	Very low	31.9	Very low	133 Å²	133	144.6 Å²	144.6	82%	0.816	81%	0.807	S	S	*	*			trans	-129	115	168.9	49	0	0	0	0	108.1
137	G	31.3	Very low	31.5	Very low	79 Å²	79	143.1 Å²	143.1	81%	0.814	81%	0.809	S	S	*	*			trans	-97.6	138.2	163.6	0	0	0	0	0	108.7
138	E	31.4	Very low	31.3	Very low	207 Å²	207	146 Å²	146	97%	0.967	81%	0.814	S	S	*	*			trans	-73.1	146.6	175.6	-69	176.7	122	0	0	110.8
139	G	31.2	Very low	31	Very low	76 Å²	76	147 Å²	147	78%	0.784	82%	0.816	S	S	*	*			trans	-107.1	150.9	175.7	0	0	0	0	0	111.8
140	Q	29.3	Very low	30.7	Very low	174 Å²	174	142.8 Å²	142.8	81%	0.813	81%	0.81	S	S	*	*			trans	-144	152.8	170	-107.4	-175.4	-56.4	0	0	106.1
141	E	29.9	Very low	30.5	Very low	141 Å²	141	141.7 Å²	141.7	66%	0.659	80%	0.804	S	S	*	*			cis	-151.1	-170.2	25.3	-124	-53.8	115.7	0	0	110
142	V	29.8	Very low	30.1	Very low	139 Å²	139	137.9 Å²	137.9	84%	0.842	80%	0.801	S	S	*	*			trans	81.7	116.1	166.1	-164.6	0	0	0	0	116.9
143	G	26.8	Very low	29.8	Very low	53 Å²	53	132.3 Å²	132.3	55%	0.546	80%	0.798	S	S	.	*			cis	165.2	159.4	-8.9	0	0	0	0	0	114.6
144	S	29	Very low	29.5	Very low	126 Å²	126	134.7 Å²	134.7	88%	0.881	80%	0.801	S	S	*	*			trans	67.4	158.6	177.9	-45.2	0	0	0	0	114.6
145	E	29.5	Very low	29.4	Very low	180 Å²	180	133.4 Å²	133.4	84%	0.841	80%	0.799	S	S	*	*			cis	-143	160.4	5.9	56.3	-149.6	131.4	0	0	113.1
146	D	29.1	Very low	29.2	Very low	168 Å²	168	131.1 Å²	131.1	90%	0.898	80%	0.796	S	S	*	*			trans	6.4	154.2	165.6	-66.4	-12.3	0	0	0	124.2
147	G	26.5	Very low	28.6	Very low	76 Å²	76	131 Å²	131	78%	0.784	79%	0.79	S	S	*	*				125.8	75.1	125.7	0	0	0	0	0	119.9
148	L	29.2	Very low	28.4	Very low	178 Å²	178	134.1 Å²	134.1	93%	0.932	79%	0.785	S	S	*	*			trans	-0.1	121.5	155.1	-70.5	163.8	0	0	0	120.5
149	A	27.8	Very low	28.2	Very low	93 Å²	93	129.6 Å²	129.6	77%	0.769	77%	0.772	S	S	*	*			trans	-17.7	147.3	156.6	0	0	0	0	0	121.3
150	C	25.3	Very low	28	Very low	116 Å²	116	131.7 Å²	131.7	78%	0.784	77%	0.765	S	S	*	*				-173.3	149.9	124.4	-104.2	0	0	0	0	117.5
151	L	28.5	Very low	27.9	Very low	143 Å²	143	130.5 Å²	130.5	75%	0.749	76%	0.763	S	S	*	*			trans	76.4	131.1	148.7	-65.2	160.9	0	0	0	123.3
152	N	28.9	Very low	27.9	Very low	155 Å²	155	129.4 Å²	129.4	83%	0.829	76%	0.761	S	S	*	*			trans	38.4	149.5	138.7	-51.7	1.3	0	0	0	121.2
153	G	26.5	Very low	27.8	Very low	74 Å²	74	129.9 Å²	129.9	76%	0.763	76%	0.755	S	S	*	*			cis	-169.3	-155.4	3.9	0	0	0	0	0	107.6
154	E	26.8	Very low	27.8	Very low	172 Å²	172	134.3 Å²	134.3	80%	0.804	77%	0.766	S	S	*	*			cis	-172.1	149.7	-2.2	-151	-173.5	172	0	0	108.3
155	V	29.9	Very low	27.8	Very low	119 Å²	119	132.3 Å²	132.3	72%	0.721	76%	0.756	S	S	*	*			trans	51.7	156.7	162	-68	0	0	0	0	121.4
156	E	27.1	Very low	27.7	Very low	152 Å²	152	133.2 Å²	133.2	71%	0.71	76%	0.761	S	S	*	*			cis	-161.5	-179.1	-11.3	-121.1	174.6	-168	0	0	113.8
157	N	26.2	Very low	27.5	Very low	131 Å²	131	128.6 Å²	128.6	70%	0.701	75%	0.753	S	S	*	*			trans	77.7	113.3	169.2	-61.7	-54.5	0	0	0	116.9
158	M	27.3	Very low	27.5	Very low	143 Å²	143	131.2 Å²	131.2	70%	0.704	76%	0.759	S	S	*	*			cis	75.6	125.2	36.9	-145.2	-162.2	-57.1	0	0	111.2
159	T	26.9	Very low	27.4	Very low	113 Å²	113	128.1 Å²	128.1	69%	0.693	75%	0.753	S	S	*	*			cis	-154.6	145.4	49.6	48.5	0	0	0	0	116.4
160	N	27.4	Very low	27.3	Very low	119 Å²	119	127.6 Å²	127.6	64%	0.636	76%	0.756	S	S	*	*				35.5	152.3	129	-51.7	-16.2	0	0	0	121.5
161	L	28.2	Very low	27.5	Very low	150 Å²	150	127.6 Å²	127.6	79%	0.785	76%	0.764	S	S	*	*			cis	-123.8	144.1	19.6	-84.7	84.6	0	0	0	111.9
162	L	29.1	Very low	27.5	Very low	118 Å²	118	124.5 Å²	124.5	62%	0.618	77%	0.767	S	S	*	*				59.1	133.2	78.9	-49.4	175.3	0	0	0	113.7
163	E	28.1	Very low	27.4	Very low	149 Å²	149	125.2 Å²	125.2	70%	0.696	77%	0.771	S	S	*	*			cis	-165.3	159.6	-2	-126.1	165.6	-172.8	0	0	110.5
164	D	27.3	Very low	27.5	Very low	146 Å²	146	126.1 Å²	126.1	78%	0.781	77%	0.771	S	S	*	*			trans	41.1	153.5	137	-72.7	16.6	0	0	0	123.7
165	A	28.3	Very low	27.6	Very low	83 Å²	83	123.2 Å²	123.2	69%	0.686	78%	0.777	S	S	*	*			cis	-164.2	179.4	-10.2	0	0	0	0	0	111.5
166	E	27.3	Very low	27.5	Very low	199 Å²	199	121.5 Å²	121.5	93%	0.93	78%	0.783	S	S	*	*			trans	-12.8	146.8	165.4	-52.5	-177	135.5	0	0	120.8
167	G	24.9	Very low	27.4	Very low	72 Å²	72	117.8 Å²	117.8	74%	0.742	79%	0.785	S	S	*	*				135.7	117.1	118.6	0	0	0	0	0	120.9
168	S	27.1	Very low	27.5	Very low	131 Å²	131	121.7 Å²	121.7	92%	0.916	80%	0.796	S	S	*	*			trans	78.5	173.4	138.3	-149.7	0	0	0	0	120.4
169	S	27.1	Very low	27.6	Very low	113 Å²	113	120.4 Å²	120.4	79%	0.79	80%	0.801	S	S	*	*			trans	-111.2	148.8	-160.3	59.6	0	0	0	0	114.5
170	G	26	Very low	28	Very low	82 Å²	82	123.5 Å²	123.5	85%	0.845	81%	0.808	S	S	*	*			trans	-167.1	139.8	164.6	0	0	0	0	0	112.1
171	A	29.2	Very low	28.3	Very low	115 Å²	115	125.5 Å²	125.5	95%	0.95	82%	0.818	S	S	*	*			trans	-108.3	151.6	178.2	0	0	0	0	0	111.4
172	G	27.5	Very low	28.4	Very low	78 Å²	78	124.3 Å²	124.3	80%	0.804	82%	0.823	S	S	*	*			trans	-175.5	128.2	173	0	0	0	0	0	112.9
173	D	27.1	Very low	28.6	Very low	170 Å²	170	127.9 Å²	127.9	91%	0.909	84%	0.836	S	S	*	*			trans	-77.2	142.9	175.8	-76.1	-68.9	0	0	0	112.7
174	A	29.4	Very low	29	Very low	94 Å²	94	127.1 Å²	127.1	78%	0.777	84%	0.841	S	S	*	*				163.2	126.2	110.6	0	0	0	0	0	114.5
175	A	29.3	Very low	29.2	Very low	111 Å²	111	127.2 Å²	127.2	92%	0.917	84%	0.842	S	S	*	*			trans	43.8	118.7	147.7	0	0	0	0	0	121.4
176	G	26	Very low	29.4	Very low	82 Å²	82	131.6 Å²	131.6	85%	0.845	85%	0.853	S	S	*	*			trans	-179.1	34	169.6	0	0	0	0	0	122.8
177	G	26.8	Very low	29.8	Very low	74 Å²	74	131 Å²	131	76%	0.763	85%	0.85	S	S	*	*			trans	62.2	121.3	151.5	0	0	0	0	0	122.5
178	K	27	Very low	30.3	Very low	213 Å²	213	134.9 Å²	134.9	93%	0.926	85%	0.854	S	S	*	*			trans	58	106.8	149.3	-57.8	-174.7	178.6	-172.5	0	120.1
179	S	29.1	Very low	30.8	Very low	116 Å²	116	138 Å²	138	81%	0.811	85%	0.851	S	S	*	*				-161.1	123	123	-155.5	0	0	0	0	110.3
180	E	35.4	Very low	31.2	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	85%	0.85	S	S	*	*			trans	-85	146.2	154.8	-70.1	161.8	102.7	0	0	107.4
181	D	33.4	Very low	31.6	Very low	160 Å²	160	141 Å²	141	86%	0.856	84%	0.839	S	S	*	*			trans	149.8	63.1	160.5	-83.4	-20.8	0	0	0	111.8
182	S	31.3	Very low	31.9	Very low	125 Å²	125	145.6 Å²	145.6	87%	0.874	84%	0.838	S	S	*	*	S	Bend	trans	-160.5	31.7	169.5	54.1	0	0	0	0	116.4
183	E	32.3	Very low	32.3	Very low	194 Å²	194	144.8 Å²	144.8	91%	0.907	82%	0.824	S	S	*	*	S	Bend	trans	-138.6	45.6	179.4	-156.2	173.5	-161.2	0	0	113.7
184	V	36.2	Very low	33	Very low	132 Å²	132	140.1 Å²	140.1	80%	0.8	80%	0.801	S	S	*	*	S	Bend	trans	-128.1	-0.6	-177.5	-77	0	0	0	0	115.7
185	D	31.6	Very low	33.4	Very low	149 Å²	149	142 Å²	142	80%	0.797	80%	0.797	S	S	*	*	S	Bend	trans	-117.1	20	-168.4	-140.7	13	0	0	0	114.7
186	L	32.8	Very low	33.8	Very low	174 Å²	174	143.7 Å²	143.7	91%	0.911	79%	0.791	S	S	*	*	S	Bend	trans	-116.9	-20.1	178	-76.2	175.2	0	0	0	115.3
187	E	35.3	Very low	34.3	Very low	188 Å²	188	145.4 Å²	145.4	88%	0.879	78%	0.777	S	S	*	*	S	Bend	trans	-76.6	-22.3	-178.9	-61.6	-162.4	136.2	0	0	113.3	K189	E187-K189 PolarHBondContact O-N 3.11Å
188	N	37.3	Very low	34.9	Very low	153 Å²	153	147.8 Å²	147.8	82%	0.818	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	28.6	-160.3	-144.6	1.5	0	0	0	115.1
189	K	37.4	Very low	35.7	Very low	197 Å²	197	144.2 Å²	144.2	86%	0.857	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.8	11.3	-174.2	-134.7	173.9	-175.6	176.8	0	118	E187	E187-K189 PolarHBondContact O-N 3.11Å
190	V	35.4	Very low	36	Very low	128 Å²	128	143.6 Å²	143.6	78%	0.776	75%	0.746	S	S	*	*			trans	-138.7	59.8	174.9	-159.6	0	0	0	0	113.8
191	E	34.8	Very low	35.9	Very low	128 Å²	128	144.2 Å²	144.2	60%	0.598	74%	0.742	S	S	*	*			trans	-130	65.7	166.6	-82.3	-156.9	148.6	0	0	112.5	R537	E191-R537 IonicContact OE1-NH2 2.67Å; E191-R537 PolarHBondContact OE1-NH2 3.35Å; E191-R537 IonicContact OE2-CZ 2.81Å; E191-R537 IonicContact OE2-NH1 3.37Å; E191-R537 PolarHBondContact OE2-NH1 3.47Å; E191-R537 IonicContact OE2-NH2 2.56Å; E191-R537 PolarHBondContact OE2-NH2 2.85Å
192	F	34.1	Very low	36.3	Very low	213 Å²	213	145.9 Å²	145.9	93%	0.934	74%	0.737	S	S	*	*	S	Bend	trans	-143	37.4	167.2	-139.8	-91.5	0	0	0	114.3
193	A	36.8	Very low	37.2	Very low	61 Å²	61	144.1 Å²	144.1	50%	0.504	72%	0.715	S	S	.	*	S	Bend	trans	-145.4	-19.4	172.7	0	0	0	0	0	114.4	L195	A193-L195 VanDerWaalsContact C-N 3.29Å; A193-L195 PolarHBondContact O-N 3.41Å
194	V	40.4	Very low	37.2	Very low	71 Å²	71	141 Å²	141	43%	0.43	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.6	61.4	-159.9	-160.4	0	0	0	0	114	L198	V194-L198 HydrophobicContact CG1-CD1 4.43Å
195	L	39.3	Very low	37.3	Very low	133 Å²	133	142.1 Å²	142.1	70%	0.696	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	-26.9	162.8	-77.4	179.9	0	0	0	113.7	A193	A193-L195 VanDerWaalsContact C-N 3.29Å; A193-L195 PolarHBondContact O-N 3.41Å
196	D	36.6	Very low	37.7	Very low	147 Å²	147	142 Å²	142	79%	0.786	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-27.8	172.1	-74	-22.9	0	0	0	112
197	E	37	Very low	37.9	Very low	118 Å²	118	140.6 Å²	140.6	55%	0.551	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-13.9	-174.2	-62.3	178.2	151.9	0	0	114.7	E199 D200 Y201	E197-E199 VanDerWaalsContact C-N 3.31Å; E197-E199 PolarHBondContact O-N 3.23Å; E197-D200 PolarHBondContact O-N 3.37Å; E197-Y201 PolarHBondContact O-N 3.15Å
198	L	39.7	Very low	37.9	Very low	125 Å²	125	143.8 Å²	143.8	65%	0.654	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-16	-174.4	-153.3	76.9	0	0	0	113.5	V194	V194-L198 HydrophobicContact CG1-CD1 4.43Å
199	E	42.5	Very low	37.6	Very low	137 Å²	137	140.1 Å²	140.1	64%	0.64	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-34.7	173.7	-161.2	158.9	-144.4	0	0	110.7	E197	E197-E199 VanDerWaalsContact C-N 3.31Å; E197-E199 PolarHBondContact O-N 3.23Å
200	D	36.6	Very low	37.4	Very low	104 Å²	104	138.9 Å²	138.9	56%	0.556	70%	0.703	S	S	*	*	H	α-helix	trans	-74.2	-27.8	-179.7	-73.7	-16.3	0	0	0	113.7	E197 Y202 E203 N204	E197-D200 PolarHBondContact O-N 3.37Å; D200-Y202 PolarHBondContact O-N 3.43Å; D200-E203 PolarHBondContact O-N 3.05Å; D200-N204 PolarHBondContact O-N 3.48Å; D200-N204 PolarHBondContact O-ND2 2.96Å
201	Y	33.4	Very low	37.2	Very low	192 Å²	192	135.5 Å²	135.5	75%	0.753	69%	0.694	S	S	*	*	H	α-helix	trans	-63.3	-22.6	177.1	-170.9	-99.2	0	0	0	113.3	E197	E197-Y201 PolarHBondContact O-N 3.15Å
202	Y	41.8	Very low	36.9	Very low	194 Å²	194	138.9 Å²	138.9	76%	0.761	71%	0.71	S	S	*	*	H	α-helix	trans	-88.1	-21.2	179.5	-131.3	-81	0	0	0	113.7	D200	D200-Y202 PolarHBondContact O-N 3.43Å
203	E	49.5	Very low	36.9	Very low	88 Å²	88	138.4 Å²	138.4	41%	0.411	71%	0.71	S	S	.	*	H	α-helix	trans	-78.7	-43	176.6	-67.6	-86.8	-161.8	0	0	110.9	D200 L205 L206	D200-E203 PolarHBondContact O-N 3.05Å; E203-L205 PolarHBondContact O-N 3.04Å; E203-L206 PolarHBondContact O-N 2.94Å; E203-L206 VanDerWaalsContact O-N 3.09Å
204	N	33.6	Very low	36.4	Very low	129 Å²	129	139.4 Å²	139.4	69%	0.69	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-8	-174.3	-76.4	-44.3	0	0	0	115.9	D200	D200-N204 PolarHBondContact O-N 3.48Å; D200-N204 PolarHBondContact O-ND2 2.96Å
205	L	36.5	Very low	35.8	Very low	155 Å²	155	139.6 Å²	139.6	81%	0.812	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-10.2	176.1	-167.3	59	0	0	0	113.2	E203	E203-L205 PolarHBondContact O-N 3.04Å
206	L	41.3	Very low	35.1	Very low	148 Å²	148	142.7 Å²	142.7	78%	0.775	75%	0.751	S	S	*	*	S	Bend	trans	-98.4	-17.3	-177.8	-64.2	176.2	0	0	0	114	E203 R208	E203-L206 PolarHBondContact O-N 2.94Å; E203-L206 VanDerWaalsContact O-N 3.09Å; L206-R208 PolarHBondContact O-N 3.06Å
207	D	37.6	Very low	34.7	Very low	143 Å²	143	144.4 Å²	144.4	77%	0.765	75%	0.752	S	S	*	*			trans	-100.8	57.5	-168.3	-157.8	30.2	0	0	0	113.7
208	R	34.5	Very low	34.4	Very low	255 Å²	255	144.4 Å²	144.4	96%	0.962	76%	0.764	S	S	*	*			trans	-130.7	76.1	165.4	-85.8	-167.8	172.1	-121	-0.5	111.5	L206	L206-R208 PolarHBondContact O-N 3.06Å
209	G	30.9	Very low	33.8	Very low	76 Å²	76	146.2 Å²	146.2	78%	0.784	78%	0.775	S	S	*	*			trans	-118.6	143.4	160.3	0	0	0	0	0	109.7
210	D	33.6	Very low	33.3	Very low	171 Å²	171	144 Å²	144	91%	0.914	78%	0.78	S	S	*	*			trans	-100.5	156.6	-164.3	-168.9	22.1	0	0	0	114.2
211	G	29.8	Very low	33	Very low	58 Å²	58	147 Å²	147	60%	0.598	79%	0.794	S	S	*	*			trans	76.1	150	169.2	0	0	0	0	0	117.3
212	E	30.1	Very low	32.7	Very low	198 Å²	198	144.3 Å²	144.3	93%	0.925	80%	0.798	S	S	*	*			cis	-149.2	178.3	-9.2	-83.2	-157.5	112.4	0	0	110
213	Q	32.9	Very low	31.9	Very low	203 Å²	203	143.9 Å²	143.9	95%	0.949	80%	0.803	S	S	*	*			trans	-77.1	143.4	-178.4	-62.6	177.6	-3.9	0	0	113.4
214	G	27.3	Very low	30.8	Very low	82 Å²	82	149.2 Å²	149.2	85%	0.845	83%	0.828	S	S	*	*			trans	-170.7	82.8	173	0	0	0	0	0	113.5
215	G	27.9	Very low	30.5	Very low	75 Å²	75	151.4 Å²	151.4	77%	0.773	83%	0.833	S	S	*	*			trans	-97.4	126.5	176.3	0	0	0	0	0	112.4
216	F	25.1	Very low	30	Very low	199 Å²	199	153.3 Å²	153.3	87%	0.873	84%	0.838	S	S	*	*			trans	-141.6	173.9	165.2	-124.6	-93.5	0	0	0	112.6
217	K	26.8	Very low	29.3	Very low	183 Å²	183	151.8 Å²	151.8	80%	0.796	84%	0.835	S	S	*	*			trans	-82.3	156.1	-154.5	-62.7	175.2	-178.6	174.4	0	114.9
218	S	30.2	Very low	28.8	Very low	117 Å²	117	153.6 Å²	153.6	82%	0.818	84%	0.838	S	S	*	*			trans	-64	145.8	162	54	0	0	0	0	112.4
219	D	27.6	Very low	28.6	Very low	164 Å²	164	147.7 Å²	147.7	88%	0.877	83%	0.826	S	S	*	*			trans	-137.5	160.2	151.3	-148.8	-20	0	0	0	109.6
220	A	32.5	Very low	28.6	Very low	90 Å²	90	152.6 Å²	152.6	74%	0.744	83%	0.829	S	S	*	*			trans	-121.8	115.1	-167.2	0	0	0	0	0	112.1
221	I	29.8	Very low	28.5	Very low	167 Å²	167	149.5 Å²	149.5	86%	0.856	83%	0.827	S	S	*	*			trans	-116.6	118.7	176.4	-59.9	-176.9	0	0	0	111.4
222	V	26.8	Very low	28.3	Very low	136 Å²	136	151.3 Å²	151.3	82%	0.824	83%	0.83	S	S	*	*			trans	-18.2	144.5	164.3	179.6	0	0	0	0	117.5
223	Q	26.3	Very low	28.3	Very low	185 Å²	185	146.5 Å²	146.5	86%	0.864	82%	0.824	S	S	*	*			trans	-68.4	149.7	173.2	-61.4	155.4	-39.7	0	0	112.2
224	Q	26.7	Very low	28.4	Very low	200 Å²	200	147 Å²	147	94%	0.935	82%	0.819	S	S	*	*			trans	-126	131.8	152	-164.1	163.7	7.1	0	0	108.7
225	E	26.5	Very low	28.8	Very low	174 Å²	174	147.4 Å²	147.4	81%	0.813	81%	0.814	S	S	*	*			trans	-102.5	118.9	-169.3	-178	172.4	-150.1	0	0	109.6	V227	E225-V227 HydrophobicContact CG-CG2 4.18Å
226	E	26	Very low	29.5	Very low	196 Å²	196	150.6 Å²	150.6	92%	0.916	80%	0.804	S	S	*	*			trans	-114.6	110.9	174.5	-169.2	167.4	-137.4	0	0	109.1
227	V	27.4	Very low	30.3	Very low	116 Å²	116	148 Å²	148	70%	0.703	79%	0.794	S	S	*	*			trans	-89.6	110.8	-173.8	179.8	0	0	0	0	109.4	E225	E225-V227 HydrophobicContact CG-CG2 4.18Å
228	H	26.9	Very low	31.3	Very low	180 Å²	180	142.2 Å²	142.2	83%	0.833	77%	0.771	S	S	*	*			trans	-95.3	116	165.9	-162.7	-58.6	0	0	0	109.5	E230	H228-E230 PolarHBondContact O-N 3.14Å
229	D	30.3	Very low	32	Very low	131 Å²	131	137.7 Å²	137.7	70%	0.701	74%	0.742	S	S	*	*			trans	-61.6	132.2	171.1	-98.8	-46.5	0	0	0	110.2
230	E	30.2	Very low	32.8	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	72%	0.724	S	S	*	*			trans	-125	116.2	162.4	-172.1	173.2	-155.9	0	0	108.3	H228 S232	H228-E230 PolarHBondContact O-N 3.14Å; E230-S232 VanDerWaalsContact C-N 3.31Å; E230-S232 PolarHBondContact O-N 3.5Å
231	A	30.7	Very low	33.8	Very low	106 Å²	106	131.7 Å²	131.7	88%	0.876	69%	0.692	S	S	*	*			trans	-74.8	76.8	-168.1	0	0	0	0	0	112.6	A233	A231-A233 PolarHBondContact O-N 3.06Å
232	S	27.1	Very low	34.6	Very low	96 Å²	96	127.2 Å²	127.2	67%	0.671	67%	0.67	S	S	*	*			trans	-69.1	100.3	174.7	-161.7	0	0	0	0	110.8	E230 Y234	E230-S232 VanDerWaalsContact C-N 3.31Å; E230-S232 PolarHBondContact O-N 3.5Å; S232-Y234 PolarHBondContact O-N 3.18Å
233	A	29.9	Very low	35.8	Very low	97 Å²	97	124.6 Å²	124.6	80%	0.802	65%	0.651	S	S	*	*			trans	-66	101.1	172.4	0	0	0	0	0	109.7	A231 A235	A231-A233 PolarHBondContact O-N 3.06Å; A233-A235 PolarHBondContact O-N 2.83Å
234	Y	33.4	Very low	37.2	Very low	213 Å²	213	116.3 Å²	116.3	84%	0.835	61%	0.613	S	S	*	*			trans	-62	107.1	-174.3	-107.2	-100.4	0	0	0	112.1	S232 Y236	S232-Y234 PolarHBondContact O-N 3.18Å; Y234-Y236 PolarHBondContact O-N 2.78Å; Y234-Y236 VanDerWaalsContact O-N 3.09Å
235	A	37.3	Very low	38.7	Very low	91 Å²	91	109.7 Å²	109.7	75%	0.752	59%	0.585	S	S	*	*			trans	-70.8	99.8	162.7	0	0	0	0	0	108.5	A233 E237	A233-A235 PolarHBondContact O-N 2.83Å; A235-E237 PolarHBondContact O-N 3.43Å
236	Y	41.4	Very low	40.1	Very low	141 Å²	141	104.2 Å²	104.2	55%	0.553	57%	0.569	S	S	*	*			trans	-44.4	130.5	-179	-178.6	-85.9	0	0	0	112	Y234 E238 D241 F311	Y234-Y236 PolarHBondContact O-N 2.78Å; Y234-Y236 VanDerWaalsContact O-N 3.09Å; Y236-E238 VanDerWaalsContact C-N 3.32Å; Y236-E238 PolarHBondContact O-N 3.06Å; Y236-D241 PolarHBondContact OH-OD2 3Å; Y236-F311 HydrophobicContact CE2-CE2 4.34Å; Y236-F311 WeakPolarHBondContact OH-CD2 3.48Å; Y236-F311 WeakPolarHBondContact OH-CE2 3.37Å
237	E	42.9	Very low	41.6	Very low	144 Å²	144	99 Å²	99	67%	0.673	55%	0.546	S	S	*	.			trans	-70.1	87.3	-178.3	-74.7	-144.6	155.7	0	0	111.9	A235 G239 F240	A235-E237 PolarHBondContact O-N 3.43Å; E237-G239 PolarHBondContact O-N 3.42Å; E237-F240 PolarHBondContact O-N 2.94Å
238	E	46.8	Very low	43	Very low	63 Å²	63	94.7 Å²	94.7	29%	0.294	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-1.2	168.1	-157.8	-164.2	-136.5	0	0	112	Y236 N242 V465 K466 R474	Y236-E238 VanDerWaalsContact C-N 3.32Å; Y236-E238 PolarHBondContact O-N 3.06Å; E238-N242 PolarHBondContact O-ND2 2.91Å; E238-V465 WeakPolarHBondContact OE1-CG1 3.39Å; E238-K466 PolarHBondContact OE1-N 3.18Å; E238-K466 VanDerWaalsContact OE1-N 3.12Å; E238-R474 VanDerWaalsContact C-NH2 3.27Å; E238-R474 VanDerWaalsContact CB-NH2 3.32Å; E238-R474 VanDerWaalsContact CD-NH2 3.31Å; E238-R474 PolarHBondContact O-NH1 2.72Å; E238-R474 PolarHBondContact O-NH2 3.17Å; E238-R474 IonicContact OE2-CZ 3.62Å; E238-R474 IonicContact OE2-NE 3.42Å; E238-R474 IonicContact OE2-NH2 3.91Å; E238-R474 PolarHBondContact OE2-NH2 3.29Å
239	G	44.9	Very low	44.4	Very low	21 Å²	21	93.4 Å²	93.4	22%	0.216	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-63.6	171	0	0	0	0	0	112.7	E237 D241 N242 D243	E237-G239 PolarHBondContact O-N 3.42Å; G239-D241 VanDerWaalsContact C-N 3.34Å; G239-D241 PolarHBondContact O-N 2.77Å; G239-D241 VanDerWaalsContact O-N 3.16Å; G239-N242 WeakPolarHBondContact O-CA 3.49Å; G239-N242 WeakPolarHBondContact O-CB 3.41Å; G239-N242 PolarHBondContact O-N 3.07Å; G239-D243 PolarHBondContact O-N 2.85Å
240	F	45.8	Very low	45.3	Very low	116 Å²	116	94.9 Å²	94.9	51%	0.509	52%	0.517	S	S	.	.	H	α-helix	trans	-47.3	-47.2	-170.1	-176.1	-97.5	0	0	0	114.4	E237 N242 D243 V244	E237-F240 PolarHBondContact O-N 2.94Å; F240-N242 PolarHBondContact O-N 3.15Å; F240-D243 PolarHBondContact O-N 2.89Å; F240-V244 HydrophobicContact CD1-CG2 4.49Å; F240-V244 HydrophobicContact CE1-CG2 4.22Å; F240-V244 HydrophobicContact CZ-CG2 4.48Å; F240-V244 WeakPolarHBondContact O-CG2 3.48Å; F240-V244 PolarHBondContact O-N 2.85Å
241	D	52.1	Low	45.9	Very low	12 Å²	12	89.6 Å²	89.6	6%	0.064	51%	0.51	C	S	.	.	H	α-helix	trans	-58.3	-30.2	177.4	-106	-57.7	0	0	0	113.4	Y236 G239 D245 T310 R341	Y236-D241 PolarHBondContact OH-OD2 3Å; G239-D241 VanDerWaalsContact C-N 3.34Å; G239-D241 PolarHBondContact O-N 2.77Å; G239-D241 VanDerWaalsContact O-N 3.16Å; D241-D245 PolarHBondContact O-N 3.47Å; D241-T310 PolarHBondContact OD1-OG1 3.03Å; D241-R341 PolarHBondContact O-NH2 2.7Å; D241-R341 IonicContact OD1-CZ 3.8Å; D241-R341 VanDerWaalsContact OD1-CZ 3.24Å; D241-R341 IonicContact OD1-NH1 3.02Å; D241-R341 PolarHBondContact OD1-NH1 3.32Å; D241-R341 IonicContact OD1-NH2 2.72Å; D241-R341 PolarHBondContact OD1-NH2 3.41Å
242	N	47.6	Very low	46.3	Very low	73 Å²	73	89 Å²	89	39%	0.39	49%	0.491	S	S	.	.	H	α-helix	trans	-87.1	-30.9	-178.8	-65.1	-101.3	0	0	0	112.4	E238 G239 F240 V244 D245 A246 R474	E238-N242 PolarHBondContact O-ND2 2.91Å; G239-N242 WeakPolarHBondContact O-CA 3.49Å; G239-N242 WeakPolarHBondContact O-CB 3.41Å; G239-N242 PolarHBondContact O-N 3.07Å; F240-N242 PolarHBondContact O-N 3.15Å; N242-V244 VanDerWaalsContact C-N 3.28Å; N242-D245 PolarHBondContact O-N 3.42Å; N242-A246 PolarHBondContact O-N 3.39Å; N242-A246 VanDerWaalsContact O-N 3.11Å; N242-R474 PolarHBondContact ND2-NH1 3.32Å
243	D	51.1	Low	46.6	Very low	82 Å²	82	90.3 Å²	90.3	44%	0.439	50%	0.497	S	S	.	.	H	α-helix	trans	-69.1	-32.8	172.1	-63.7	-47.6	0	0	0	110.3	G239 F240 L247	G239-D243 PolarHBondContact O-N 2.85Å; F240-D243 PolarHBondContact O-N 2.89Å; D243-L247 WeakPolarHBondContact O-CG 3.21Å; D243-L247 PolarHBondContact O-N 2.63Å
244	V	56.6	Low	46.8	Very low	11 Å²	11	91.7 Å²	91.7	7%	0.067	50%	0.495	C	S	.	.	H	α-helix	trans	-60.8	-46.7	165.7	165.3	0	0	0	0	111.8	F240 N242 A246 L247 L248 I308	F240-V244 HydrophobicContact CD1-CG2 4.49Å; F240-V244 HydrophobicContact CE1-CG2 4.22Å; F240-V244 HydrophobicContact CZ-CG2 4.48Å; F240-V244 WeakPolarHBondContact O-CG2 3.48Å; F240-V244 PolarHBondContact O-N 2.85Å; N242-V244 VanDerWaalsContact C-N 3.28Å; V244-A246 VanDerWaalsContact C-N 3.32Å; V244-A246 PolarHBondContact O-N 2.96Å; V244-L247 PolarHBondContact O-N 2.87Å; V244-L248 HydrophobicContact CG1-CD1 3.69Å; V244-L248 HydrophobicContact CG1-CG 4.32Å; V244-L248 VanDerWaalsContact O-CG 3.28Å; V244-L248 WeakPolarHBondContact O-CG 3.49Å; V244-L248 PolarHBondContact O-N 3.17Å; V244-L248 VanDerWaalsContact O-N 3.08Å; V244-I308 HydrophobicContact CG1-CD1 3.7Å; V244-I308 HydrophobicContact CG2-CD1 4.21Å
245	D	56.7	Low	46.8	Very low	61 Å²	61	87 Å²	87	33%	0.326	49%	0.491	S	S	.	.	H	α-helix	trans	-59.1	-42.1	179.3	-78	-6.2	0	0	0	111.9	D241 N242 L248 E249 R341	D241-D245 PolarHBondContact O-N 3.47Å; N242-D245 PolarHBondContact O-N 3.42Å; D245-L248 PolarHBondContact O-N 3.19Å; D245-E249 PolarHBondContact O-N 3.12Å; D245-R341 IonicContact OD1-CZ 2.69Å; D245-R341 IonicContact OD1-NE 2.7Å; D245-R341 PolarHBondContact OD1-NE 3.06Å; D245-R341 IonicContact OD1-NH2 2.97Å; D245-R341 PolarHBondContact OD1-NH2 3.24Å; D245-R341 IonicContact OD2-CZ 2.69Å; D245-R341 IonicContact OD2-NE 3.25Å; D245-R341 PolarHBondContact OD2-NE 3.23Å; D245-R341 IonicContact OD2-NH2 3.33Å
246	A	56.7	Low	46.6	Very low	58 Å²	58	92.4 Å²	92.4	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-46.7	176.7	0	0	0	0	0	112.5	N242 V244 L248 E249 E250	N242-A246 PolarHBondContact O-N 3.39Å; N242-A246 VanDerWaalsContact O-N 3.11Å; V244-A246 VanDerWaalsContact C-N 3.32Å; V244-A246 PolarHBondContact O-N 2.96Å; A246-L248 PolarHBondContact O-N 3.08Å; A246-E249 PolarHBondContact O-N 3.25Å; A246-E250 PolarHBondContact O-N 3.04Å
247	L	58.1	Low	46.4	Very low	86 Å²	86	95.2 Å²	95.2	45%	0.45	51%	0.512	S	S	.	.	H	α-helix	trans	-67	-15.1	177.7	-73.1	169.5	0	0	0	114.1	D243 V244	D243-L247 WeakPolarHBondContact O-CG 3.21Å; D243-L247 PolarHBondContact O-N 2.63Å; V244-L247 PolarHBondContact O-N 2.87Å
248	L	57.3	Low	45.8	Very low	27 Å²	27	96.6 Å²	96.6	14%	0.141	52%	0.521	C	S	.	.	H	α-helix	trans	-97.6	-21.7	175.6	-66.7	177	0	0	0	113.1	V244 D245 A246 L320 I340	V244-L248 HydrophobicContact CG1-CD1 3.69Å; V244-L248 HydrophobicContact CG1-CG 4.32Å; V244-L248 VanDerWaalsContact O-CG 3.28Å; V244-L248 WeakPolarHBondContact O-CG 3.49Å; V244-L248 PolarHBondContact O-N 3.17Å; V244-L248 VanDerWaalsContact O-N 3.08Å; D245-L248 PolarHBondContact O-N 3.19Å; A246-L248 PolarHBondContact O-N 3.08Å; L248-L320 HydrophobicContact CD1-CD2 3.94Å; L248-L320 HydrophobicContact CD2-CD2 3.59Å; L248-L320 HydrophobicContact CG-CD2 4.45Å; L248-I340 HydrophobicContact CD1-CG2 3.88Å
249	E	55.2	Low	45	Very low	153 Å²	153	105.4 Å²	105.4	72%	0.715	55%	0.551	S	S	*	*	H	α-helix	trans	-85.8	-29.9	174.2	-166.5	159.3	-132.8	0	0	112.1	D245 A246 G251 M252	D245-E249 PolarHBondContact O-N 3.12Å; A246-E249 PolarHBondContact O-N 3.25Å; E249-G251 PolarHBondContact O-N 3.47Å; E249-M252 WeakPolarHBondContact O-CB 3.42Å; E249-M252 PolarHBondContact O-N 2.39Å
250	E	49.8	Very low	44.4	Very low	161 Å²	161	112.3 Å²	112.3	75%	0.752	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-25.1	174.9	-172	168.9	-150.5	0	0	113.6	A246 M252	A246-E250 PolarHBondContact O-N 3.04Å; E250-M252 VanDerWaalsContact C-N 3.34Å; E250-M252 PolarHBondContact O-N 2.56Å
251	G	41.6	Very low	43.7	Very low	69 Å²	69	111.3 Å²	111.3	71%	0.711	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	0.4	175.4	0	0	0	0	0	115.7	E249	E249-G251 PolarHBondContact O-N 3.47Å
252	M	40.1	Very low	42.8	Very low	95 Å²	95	119 Å²	119	47%	0.468	63%	0.631	S	S	.	*	S	Bend	trans	-99.8	125.7	-175.6	-69.8	-88.2	-79.1	0	0	111.7	E249 E250 V254	E249-M252 WeakPolarHBondContact O-CB 3.42Å; E249-M252 PolarHBondContact O-N 2.39Å; E250-M252 VanDerWaalsContact C-N 3.34Å; E250-M252 PolarHBondContact O-N 2.56Å; M252-V254 PolarHBondContact O-N 3.33Å
253	P	32.7	Very low	42.1	Very low	123 Å²	123	123.6 Å²	123.6	80%	0.799	66%	0.656	S	S	*	*			trans	-61.8	111.3	173.5	-23.7	34.6	0	0	0	111.8	P255	P253-P255 WeakPolarHBondContact O-CD 3.48Å
254	V	34.8	Very low	41.3	Very low	126 Å²	126	128.1 Å²	128.1	76%	0.764	67%	0.671	S	S	*	*			trans	-64.1	123.2	-178.3	-174.9	0	0	0	0	110.3	M252 K256	M252-V254 PolarHBondContact O-N 3.33Å; V254-K256 PolarHBondContact O-N 3.01Å; V254-K256 VanDerWaalsContact O-N 3.11Å
255	P	33	Very low	40.1	Very low	114 Å²	114	138.8 Å²	138.8	74%	0.74	71%	0.712	S	S	*	*			trans	-66.1	114.1	176.6	26	-33	0	0	0	110	P253 K257	P253-P255 WeakPolarHBondContact O-CD 3.48Å; P255-K257 PolarHBondContact O-N 3.03Å
256	K	34.5	Very low	38.9	Very low	205 Å²	205	140.4 Å²	140.4	89%	0.891	73%	0.734	S	S	*	*			trans	-63.3	99.1	-178.1	-69.2	178.7	179.7	174.6	0	110.9	V254 M258	V254-K256 PolarHBondContact O-N 3.01Å; V254-K256 VanDerWaalsContact O-N 3.11Å; K256-M258 PolarHBondContact O-N 2.96Å
257	K	36.8	Very low	37.6	Very low	200 Å²	200	141.2 Å²	141.2	87%	0.87	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-65.1	124.2	162.9	-74.2	-168.9	173.8	-173	0	109.2	P255	P255-K257 PolarHBondContact O-N 3.03Å
258	M	30.5	Very low	36.2	Very low	172 Å²	172	145.1 Å²	145.1	85%	0.847	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-58.9	140.9	171	-74.5	158	54.5	0	0	110.2	K256	K256-M258 PolarHBondContact O-N 2.96Å
259	R	29.2	Very low	35	Very low	249 Å²	249	149 Å²	149	94%	0.94	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-75.7	125.7	159.8	-68.1	177.6	177.7	148.9	-2.1	107.3
260	L	31.8	Very low	34	Very low	166 Å²	166	147.6 Å²	147.6	87%	0.869	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-93	151.3	159.7	-95.7	160	0	0	0	108.7
261	A	31	Very low	33.4	Very low	94 Å²	94	149 Å²	149	78%	0.777	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-80	172.7	-171.5	0	0	0	0	0	112.6
262	E	34.8	Very low	33.2	Very low	174 Å²	174	153.7 Å²	153.7	81%	0.813	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-60.3	138.2	164.9	-64.9	170.2	86.5	0	0	110.5
263	D	32.1	Very low	32.9	Very low	170 Å²	170	153.6 Å²	153.6	91%	0.909	81%	0.814	S	S	*	*			trans	-141.4	143.3	154.4	-123.8	-35.2	0	0	0	109.1
264	K	34.9	Very low	33	Very low	176 Å²	176	154.9 Å²	154.9	77%	0.765	81%	0.814	S	S	*	*			trans	-116.4	121.6	-173.9	-69.6	178.8	-179	174.2	0	110.5
265	Y	30.7	Very low	33.2	Very low	236 Å²	236	152.1 Å²	152.1	93%	0.925	81%	0.812	S	S	*	*			trans	-148	161.7	151.8	-129.4	-92.3	0	0	0	111
266	A	30.9	Very low	33.3	Very low	94 Å²	94	154.2 Å²	154.2	78%	0.777	82%	0.817	S	S	*	*			trans	-129.3	163.4	-164.7	0	0	0	0	0	113.9
267	G	29.3	Very low	33.3	Very low	76 Å²	76	148.5 Å²	148.5	78%	0.784	82%	0.816	S	S	*	*			trans	106.6	139.7	-175.9	0	0	0	0	0	111.7
268	D	28.4	Very low	33.2	Very low	167 Å²	167	147.7 Å²	147.7	89%	0.893	82%	0.816	S	S	*	*			cis	-161.7	179.5	-3.2	-168	17.9	0	0	0	109.7
269	S	32.9	Very low	33.6	Very low	110 Å²	110	143.1 Å²	143.1	77%	0.769	81%	0.812	S	S	*	*			trans	91.5	132.7	170.1	-163.2	0	0	0	0	118
270	D	35.2	Very low	33.8	Very low	123 Å²	123	134.3 Å²	134.3	66%	0.658	80%	0.799	S	S	*	*			trans	-82.5	147	-172.6	-71.5	-73.5	0	0	0	115.6
271	H	37.1	Very low	34.4	Very low	190 Å²	190	132 Å²	132	88%	0.88	79%	0.792	S	S	*	*				-155.7	163	105.6	-103.1	-46.8	0	0	0	111.5
272	Q	35.8	Very low	35.1	Very low	167 Å²	167	134.7 Å²	134.7	78%	0.78	79%	0.788	S	S	*	*			trans	-97.9	-172.6	-159.2	-69.3	173.6	-18.2	0	0	113.5
273	S	35.5	Very low	35.8	Very low	93 Å²	93	132 Å²	132	65%	0.65	79%	0.786	S	S	*	*			trans	-52.5	165.2	176.3	61.9	0	0	0	0	113.2
274	D	34.5	Very low	37	Very low	150 Å²	150	126.8 Å²	126.8	80%	0.802	76%	0.757	S	S	*	*			cis	-141.7	171.3	29.8	-80.3	-82.2	0	0	0	110.6
275	G	37.8	Very low	38.4	Very low	69 Å²	69	122.3 Å²	122.3	71%	0.711	74%	0.744	S	S	*	*			cis	150.3	-21.9	6.6	0	0	0	0	0	111.5
276	D	36.4	Very low	40.4	Very low	158 Å²	158	114.9 Å²	114.9	85%	0.845	72%	0.723	S	S	*	*			trans	-94.6	113.8	-177.8	-67.1	-46.7	0	0	0	113.2	E278	D276-E278 VanDerWaalsContact C-N 3.27Å; D276-E278 PolarHBondContact O-N 3.4Å
277	G	33.5	Very low	42.5	Very low	85 Å²	85	116.3 Å²	116.3	88%	0.876	71%	0.712	S	S	*	*			trans	-79.1	55.2	-179.4	0	0	0	0	0	115	G279	G277-G279 PolarHBondContact O-N 2.86Å
278	E	36	Very low	44.8	Very low	183 Å²	183	117.8 Å²	117.8	86%	0.855	70%	0.701	S	S	*	*			trans	-63.4	125.8	163.9	-82.3	-142.2	129.6	0	0	110	D276 G280	D276-E278 VanDerWaalsContact C-N 3.27Å; D276-E278 PolarHBondContact O-N 3.4Å; E278-G280 PolarHBondContact O-N 3.29Å
279	G	37.6	Very low	47.3	Very low	75 Å²	75	114 Å²	114	77%	0.773	68%	0.676	S	S	*	*			trans	-72.9	65.6	177.1	0	0	0	0	0	112.3	G277 V281	G277-G279 PolarHBondContact O-N 2.86Å; G279-V281 PolarHBondContact O-N 3.42Å
280	G	32.7	Very low	49.6	Very low	65 Å²	65	111.6 Å²	111.6	67%	0.67	66%	0.657	S	S	*	*			trans	-59.9	91.4	-178.2	0	0	0	0	0	112.5	E278 Q282	E278-G280 PolarHBondContact O-N 3.29Å; G280-Q282 PolarHBondContact O-N 2.75Å
281	V	45	Very low	52	Low	117 Å²	117	107.2 Å²	107.2	71%	0.709	64%	0.635	S	S	*	*			trans	-62.3	105.1	173.3	179.6	0	0	0	0	108.1	G279	G279-V281 PolarHBondContact O-N 3.42Å
282	Q	46.8	Very low	54.3	Low	151 Å²	151	100.6 Å²	100.6	71%	0.706	61%	0.605	S	S	*	*			trans	-54.1	142	176.8	-75.1	-167.2	-9.5	0	0	110.5	G280 M284	G280-Q282 PolarHBondContact O-N 2.75Å; Q282-M284 PolarHBondContact O-N 2.84Å; Q282-M284 VanDerWaalsContact O-N 3.15Å
283	P	48.1	Very low	56.7	Low	118 Å²	118	97.1 Å²	97.1	77%	0.766	59%	0.588	S	S	*	*			trans	-59.6	120.9	-165.5	20.5	-32.7	0	0	0	112.4	V285	P283-V285 PolarHBondContact O-N 3Å; P283-V285 VanDerWaalsContact O-N 3.15Å
284	M	57.5	Low	58.8	Low	60 Å²	60	97.5 Å²	97.5	30%	0.296	59%	0.59	S	S	.	*			trans	-51	114.8	169.7	172.5	-156.1	73.1	0	0	109.8	Q282 T286 K466 F468	Q282-M284 PolarHBondContact O-N 2.84Å; Q282-M284 VanDerWaalsContact O-N 3.15Å; M284-T286 HydrophobicContact CE-CG2 3.94Å; M284-T286 PolarHBondContact O-N 3.29Å; M284-T286 VanDerWaalsContact O-N 3.13Å; M284-K466 HydrophobicContact CE-CB 4.4Å; M284-K466 HydrophobicContact CE-CD 3.86Å; M284-K466 HydrophobicContact CE-CG 3.82Å; M284-K466 HydrophobicContact CG-CB 4.29Å; M284-K466 HydrophobicContact SD-CB 3.78Å; M284-K466 HydrophobicContact SD-CD 3.64Å; M284-K466 HydrophobicContact SD-CG 3.75Å; M284-F468 HydrophobicContact CB-CE1 4.5Å; M284-F468 HydrophobicContact CG-CD1 4.27Å; M284-F468 HydrophobicContact CG-CE1 3.88Å; M284-F468 HydrophobicContact CG-CE2 4.47Å; M284-F468 HydrophobicContact CG-CZ 3.98Å; M284-F468 HydrophobicContact SD-CE1 4.05Å; M284-F468 HydrophobicContact SD-CE2 4.5Å; M284-F468 HydrophobicContact SD-CZ 3.77Å
285	V	64.8	Low	60.9	Low	81 Å²	81	99.2 Å²	99.2	49%	0.491	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81	101.7	-172.3	-176.9	0	0	0	0	109.7	P283 K287 K467	P283-V285 PolarHBondContact O-N 3Å; P283-V285 VanDerWaalsContact O-N 3.15Å; V285-K287 HydrophobicContact CG1-CG 4.08Å; V285-K287 PolarHBondContact O-N 3.3Å; V285-K467 PolarHBondContact N-O 2.68Å; V285-K467 WeakPolarHBondContact O-CA 3.32Å; V285-K467 WeakPolarHBondContact O-CB 3.46Å; V285-K467 PolarHBondContact O-N 2.98Å
286	T	72	Confident	62.7	Low	80 Å²	80	99.7 Å²	99.7	49%	0.491	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-63.2	116.7	166.3	46.4	0	0	0	0	109.6	M284 T464	M284-T286 HydrophobicContact CE-CG2 3.94Å; M284-T286 PolarHBondContact O-N 3.29Å; M284-T286 VanDerWaalsContact O-N 3.13Å; T286-T464 HydrophobicContact CG2-CG2 3.87Å
287	K	75.3	Confident	64.4	Low	124 Å²	124	102.7 Å²	102.7	54%	0.539	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112	124.8	170.6	-72.9	-151.9	167.7	-152.4	0	109.6	V285 K289 V465	V285-K287 HydrophobicContact CG1-CG 4.08Å; V285-K287 PolarHBondContact O-N 3.3Å; K287-K289 PolarHBondContact O-N 3.34Å; K287-V465 PolarHBondContact N-O 3.35Å; K287-V465 PolarHBondContact O-N 2.88Å
288	I	78.4	Confident	66.2	Low	108 Å²	108	103.5 Å²	103.5	55%	0.554	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.9	126.6	167.1	-56.9	174.5	0	0	0	107.5	Q462	I288-Q462 HydrophobicContact CG2-CB 3.74Å; I288-Q462 HydrophobicContact CG2-CG 4.06Å
289	K	80.8	Confident	68.1	Low	87 Å²	87	100.2 Å²	100.2	38%	0.378	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112	132	166	-78.3	-162.3	-177.5	-178.2	0	109	K287 V291 V463 V465	K287-K289 PolarHBondContact O-N 3.34Å; K289-V291 HydrophobicContact CB-CG1 4.33Å; K289-V463 PolarHBondContact N-O 2.92Å; K289-V463 PolarHBondContact O-N 3.4Å; K289-V465 HydrophobicContact CB-CG2 4.14Å; K289-V465 HydrophobicContact CD-CG2 4.04Å; K289-V465 HydrophobicContact CG-CB 4.4Å; K289-V465 HydrophobicContact CG-CG2 4.01Å
290	T	81.3	Confident	69.9	Low	59 Å²	59	103.2 Å²	103.2	36%	0.362	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76	126.5	163.4	-48.1	0	0	0	0	108.7	G315 F460 E461	T290-G315 WeakPolarHBondContact O-CA 3.46Å; T290-F460 HydrophobicContact CG2-CB 3.59Å; T290-F460 HydrophobicContact CG2-CD1 3.73Å; T290-F460 HydrophobicContact CG2-CG 3.82Å; T290-E461 WeakPolarHBondContact CA-O 3.38Å
291	V	84.3	Confident	72.3	Confident	32 Å²	32	108.1 Å²	108.1	19%	0.194	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.2	150.7	177.3	-61.4	0	0	0	0	110.5	K289 K293 F460 E461 V463	K289-V291 HydrophobicContact CB-CG1 4.33Å; V291-K293 PolarHBondContact O-N 2.72Å; V291-F460 WeakPolarHBondContact O-CA 3.45Å; V291-E461 HydrophobicContact CG2-CG 3.71Å; V291-E461 PolarHBondContact N-O 3.43Å; V291-E461 PolarHBondContact O-N 3.4Å; V291-V463 HydrophobicContact CG2-CB 4.46Å; V291-V463 HydrophobicContact CG2-CG2 3.66Å
292	L	87.2	Confident	74.2	Confident	50 Å²	50	108.2 Å²	108.2	26%	0.262	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-60.4	123.3	175.8	178.2	62.1	0	0	0	110.3	S294 G315 I316 P317 F458	L292-S294 PolarHBondContact O-N 3.4Å; L292-G315 PolarHBondContact N-O 2.92Å; L292-I316 HydrophobicContact CB-CD1 4.24Å; L292-I316 HydrophobicContact CD1-CD1 3.98Å; L292-I316 HydrophobicContact CD2-CD1 4.16Å; L292-I316 HydrophobicContact CG-CD1 4.36Å; L292-P317 HydrophobicContact CD2-CG 4.28Å; L292-F458 HydrophobicContact CD1-CB 3.72Å; L292-F458 HydrophobicContact CD1-CD1 3.78Å; L292-F458 HydrophobicContact CD1-CG 3.99Å
293	K	85.8	Confident	76.2	Confident	94 Å²	94	104.5 Å²	104.5	41%	0.409	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-67.3	124.4	-179.5	-177.8	-179.9	178.5	-175.9	0	110.6	V291 D459 E461	V291-K293 PolarHBondContact O-N 2.72Å; K293-D459 HydrophobicContact CB-CB 3.87Å; K293-D459 WeakPolarHBondContact CB-O 3.37Å; K293-D459 HydrophobicContact CD-CB 3.92Å; K293-D459 PolarHBondContact N-O 2.79Å; K293-E461 HydrophobicContact CB-CB 4.49Å; K293-E461 HydrophobicContact CB-CG 4.33Å
294	S	79.8	Confident	78.4	Confident	101 Å²	101	103 Å²	103	71%	0.706	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-62.4	139.2	179.9	63.8	0	0	0	0	112.7	L292	L292-S294 PolarHBondContact O-N 3.4Å
295	R	77.7	Confident	79.9	Confident	186 Å²	186	107.8 Å²	107.8	70%	0.702	59%	0.588	S	S	*	*			trans	-141.2	130.5	176.3	-70.2	-175.6	173	-161	2.4	109.4	D459	R295-D459 IonicContact CZ-OD2 3.79Å; R295-D459 IonicContact NE-OD2 3.83Å; R295-D459 PolarHBondContact NE-OD2 3.02Å; R295-D459 IonicContact NH2-OD1 3.02Å; R295-D459 PolarHBondContact NH2-OD1 2.99Å; R295-D459 IonicContact NH2-OD2 4Å; R295-D459 PolarHBondContact NH2-OD2 3.28Å
296	G	75.7	Confident	81.1	Confident	79 Å²	79	105.2 Å²	105.2	81%	0.814	58%	0.578	S	S	*	*	S	Bend	trans	75.6	-169.7	-179.2	0	0	0	0	0	114.2
297	R	71.7	Confident	82.1	Confident	221 Å²	221	105.2 Å²	105.2	83%	0.834	57%	0.569	S	S	*	*	S	Bend	trans	-79.3	142.1	169.4	-66.2	-173.7	178.7	-154.7	-3.6	109
298	P	71.8	Confident	82.9	Confident	103 Å²	103	100.6 Å²	100.6	67%	0.669	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-64.7	155.7	175.6	29	-35.5	0	0	0	111	T300	P298-T300 PolarHBondContact O-N 2.89Å
299	P	75.7	Confident	83.4	Confident	114 Å²	114	98.5 Å²	98.5	74%	0.74	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-55	127.2	171.5	-24.3	34.5	0	0	0	111
300	T	75.3	Confident	83.8	Confident	138 Å²	138	94.5 Å²	94.5	85%	0.847	52%	0.521	S	S	*	.			trans	-90.2	-8	179.9	50.9	0	0	0	0	113.4	P298	P298-T300 PolarHBondContact O-N 2.89Å
301	E	82.8	Confident	84.2	Confident	168 Å²	168	93.4 Å²	93.4	79%	0.785	51%	0.511	S	S	*	.	S	Bend	trans	-77.7	128.6	177.2	-64.4	-176.8	170.6	0	0	110
302	P	86.1	Confident	84.5	Confident	119 Å²	119	92.1 Å²	92.1	77%	0.773	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-68.7	147.3	174.8	30	-34.4	0	0	0	110.4
303	L	89.2	Confident	84.5	Confident	73 Å²	73	93 Å²	93	38%	0.382	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-64.3	148.4	171.1	-66.4	177.1	0	0	0	110.7	W307 M309 Y319	L303-W307 HydrophobicContact CB-CB 4.13Å; L303-M309 HydrophobicContact CD1-CB 4.11Å; L303-M309 VanDerWaalsContact CD1-N 3.35Å; L303-Y319 HydrophobicContact CD1-CD1 4.01Å; L303-Y319 HydrophobicContact CD1-CE1 4.27Å; L303-Y319 HydrophobicContact CD2-CD1 3.93Å; L303-Y319 HydrophobicContact CD2-CE1 3.8Å
304	P	92.4	Very high	84.5	Confident	86 Å²	86	88.6 Å²	88.6	56%	0.558	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-59.5	155.3	173.6	-21	32.5	0	0	0	112	G306 W307	P304-G306 PolarHBondContact O-N 3.45Å; P304-W307 WeakPolarHBondContact O-CB 3.44Å; P304-W307 PolarHBondContact O-N 3.35Å
305	D	88.9	Confident	84.8	Confident	160 Å²	160	84 Å²	84	86%	0.856	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	141.2	179.7	-68.8	-43.4	0	0	0	112.4	W307	D305-W307 PolarHBondContact O-N 2.92Å
306	G	90.4	Very high	85.3	Confident	27 Å²	27	75.7 Å²	75.7	28%	0.278	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-15.8	-176.3	0	0	0	0	0	115.5	P304 H321 R322	P304-G306 PolarHBondContact O-N 3.45Å; G306-H321 VanDerWaalsContact C-CD2 3.47Å; G306-R322 WeakPolarHBondContact O-CG 3.38Å; G306-R322 PolarHBondContact O-N 3.45Å
307	W	93.8	Very high	86	Confident	80 Å²	80	73.1 Å²	73.1	30%	0.303	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	142.3	177.2	-69.1	83.8	0	0	0	113.3	L303 P304 D305 L320 H321 V326 T328	L303-W307 HydrophobicContact CB-CB 4.13Å; P304-W307 WeakPolarHBondContact O-CB 3.44Å; P304-W307 PolarHBondContact O-N 3.35Å; D305-W307 PolarHBondContact O-N 2.92Å; W307-L320 CarbonylContact C-O 3.55Å; W307-L320 WeakPolarHBondContact CA-O 3.34Å; W307-L320 VanDerWaalsContact CE3-C 3.48Å; W307-H321 AromaticContact CD1-CD2 3.56Å; W307-H321 HydrophobicContact CD2-CB 3.9Å; W307-H321 AromaticContact CE2-CD2 3.97Å; W307-H321 HydrophobicContact CE3-CB 4.11Å; W307-H321 HydrophobicContact CG-CB 4.48Å; W307-H321 HydrophobicContact CH2-CB 4.09Å; W307-H321 HydrophobicContact CZ2-CB 3.86Å; W307-H321 HydrophobicContact CZ3-CB 4.2Å; W307-H321 AromaticContact NE1-CD2 3.51Å; W307-V326 HydrophobicContact CH2-CG1 4.36Å; W307-T328 HydrophobicContact CH2-CG2 4.33Å; W307-T328 HydrophobicContact CZ3-CG2 4.05Å
308	I	91.6	Very high	87	Confident	27 Å²	27	62.6 Å²	62.6	14%	0.138	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.8	171.1	59.9	175.4	0	0	0	111	V244 Y319 L320 R322	V244-I308 HydrophobicContact CG1-CD1 3.7Å; V244-I308 HydrophobicContact CG2-CD1 4.21Å; I308-Y319 CarbonylContact O-C 3.57Å; I308-Y319 WeakPolarHBondContact O-CA 3.27Å; I308-L320 HydrophobicContact CD1-CD2 4.3Å; I308-L320 HydrophobicContact CG1-CB 4.11Å; I308-L320 HydrophobicContact CG1-CD2 4.48Å; I308-L320 HydrophobicContact CG1-CG 4.44Å; I308-L320 PolarHBondContact N-O 3.21Å; I308-L320 PolarHBondContact O-N 3.28Å; I308-R322 HydrophobicContact CD1-CG 3.98Å; I308-R322 HydrophobicContact CG1-CG 4.13Å; I308-R322 HydrophobicContact CG2-CG 4.28Å
309	M	89.6	Confident	88.1	Confident	65 Å²	65	61.1 Å²	61.1	32%	0.32	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	140.2	162.9	-176.3	-167.9	-74.3	0	0	108.8	L303 P317 V318 Y319	L303-M309 HydrophobicContact CD1-CB 4.11Å; L303-M309 VanDerWaalsContact CD1-N 3.35Å; M309-P317 HydrophobicContact CE-CB 4.31Å; M309-P317 HydrophobicContact CG-CB 3.82Å; M309-P317 HydrophobicContact SD-CB 3.68Å; M309-V318 WeakPolarHBondContact CA-O 3.27Å; M309-Y319 HydrophobicContact CB-CD1 4.02Å; M309-Y319 HydrophobicContact CB-CE1 3.97Å; M309-Y319 HydrophobicContact CE-CE1 3.55Å; M309-Y319 WeakPolarHBondContact CE-OH 3.25Å; M309-Y319 HydrophobicContact CG-CD1 4.38Å; M309-Y319 HydrophobicContact CG-CE1 4.09Å
310	T	89.3	Confident	88.9	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	172.3	167	-169.7	0	0	0	0	110.3	D241 P317 V318 I340 R341	D241-T310 PolarHBondContact OD1-OG1 3.03Å; T310-P317 CarbonylContact O-C 3.55Å; T310-P317 WeakPolarHBondContact O-CA 3Å; T310-V318 HydrophobicContact CG2-CG1 3.94Å; T310-V318 PolarHBondContact N-O 3.02Å; T310-V318 WeakPolarHBondContact O-CG1 3.18Å; T310-V318 PolarHBondContact O-N 2.99Å; T310-I340 HydrophobicContact CG2-CD1 3.8Å; T310-I340 HydrophobicContact CG2-CG1 4.07Å; T310-I340 HydrophobicContact CG2-CG2 3.99Å; T310-R341 PolarHBondContact OG1-NH1 3.14Å; T310-R341 PolarHBondContact OG1-NH2 3.2Å; T310-R341 VanDerWaalsContact OG1-NH2 3.11Å
311	F	89.1	Confident	89.8	Confident	36 Å²	36	50.4 Å²	50.4	16%	0.158	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.2	-178.5	-77.1	-96.9	0	0	0	112.9	Y236 G315 P317 R341	Y236-F311 HydrophobicContact CE2-CE2 4.34Å; Y236-F311 WeakPolarHBondContact OH-CD2 3.48Å; Y236-F311 WeakPolarHBondContact OH-CE2 3.37Å; F311-G315 WeakPolarHBondContact CD1-O 3.28Å; F311-P317 HydrophobicContact CD1-CB 4.49Å; F311-P317 HydrophobicContact CE1-CB 4.06Å; F311-P317 HydrophobicContact CE1-CG 4.35Å; F311-P317 HydrophobicContact CE2-CB 4.44Å; F311-P317 HydrophobicContact CZ-CB 4.02Å; F311-R341 PolarHBondContact O-NH1 3.08Å
312	H	90.8	Very high	90.1	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.028	25%	0.252	C	S	.	.			trans	-75	159.6	170.2	-176.8	-122.2	0	0	0	111.4	S314 G315 I316 V318 W329 I340 R341 H343 F450	H312-S314 PolarHBondContact ND1-N 2.87Å; H312-S314 PolarHBondContact ND1-OG 3.49Å; H312-S314 PolarHBondContact O-N 3.47Å; H312-S314 VanDerWaalsContact O-N 3.08Å; H312-G315 PolarHBondContact O-N 3.23Å; H312-I316 PolarHBondContact N-O 3.14Å; H312-V318 HydrophobicContact CB-CG1 4.19Å; H312-W329 HydrophobicContact CB-CZ2 3.85Å; H312-W329 AromaticContact CG-CZ2 3.92Å; H312-I340 PolarHBondContact CD2-O 2.88Å; H312-I340 VanDerWaalsContact CD2-O 3.27Å; H312-R341 VanDerWaalsContact CD2-C 3.43Å; H312-R341 PolarHBondContact CD2-O 3.05Å; H312-R341 VanDerWaalsContact CD2-O 3.29Å; H312-H343 AromaticContact CD2-CE1 3.91Å; H312-H343 AromaticContact CD2-NE2 3.99Å; H312-H343 PolarHBondContact NE2-O 3.19Å; H312-F450 AromaticContact ND1-CE1 3.88Å
313	N	87.2	Confident	90.2	Very high	69 Å²	69	50 Å²	50	37%	0.369	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-6.5	177	-79.6	-8.8	0	0	0	114.6	G315 R341 L447 R451	N313-G315 VanDerWaalsContact C-N 3.26Å; N313-R341 WeakPolarHBondContact CB-O 3.45Å; N313-R341 PolarHBondContact N-O 3.17Å; N313-R341 PolarHBondContact ND2-O 3.3Å; N313-R341 VanDerWaalsContact ND2-O 3.08Å; N313-R341 PolarHBondContact OD1-O 2.97Å; N313-L447 HydrophobicContact CB-CD1 4.3Å; N313-L447 HydrophobicContact CB-CD2 4.27Å; N313-R451 PolarHBondContact O-NE 2.9Å; N313-R451 PolarHBondContact O-NH2 2.9Å
314	S	85.9	Confident	90.3	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-2.9	166.6	61.6	0	0	0	0	113.7	H312 I316 F450 F460	H312-S314 PolarHBondContact ND1-N 2.87Å; H312-S314 PolarHBondContact ND1-OG 3.49Å; H312-S314 PolarHBondContact O-N 3.47Å; H312-S314 VanDerWaalsContact O-N 3.08Å; S314-I316 VanDerWaalsContact C-N 3.32Å; S314-I316 PolarHBondContact O-N 3.06Å; S314-F450 VanDerWaalsContact OG-CE1 3.32Å; S314-F450 WeakPolarHBondContact OG-CE1 3.21Å; S314-F460 WeakPolarHBondContact O-CE1 3.47Å
315	G	86.4	Confident	90.2	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.031	24%	0.235	C	C	.	.	S	Bend	trans	85.9	-4.3	178.1	0	0	0	0	0	115	T290 L292 F311 H312 N313	T290-G315 WeakPolarHBondContact O-CA 3.46Å; L292-G315 PolarHBondContact N-O 2.92Å; F311-G315 WeakPolarHBondContact CD1-O 3.28Å; H312-G315 PolarHBondContact O-N 3.23Å; N313-G315 VanDerWaalsContact C-N 3.26Å
316	I	88.8	Confident	90.3	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.067	21%	0.205	C	C	.	.	S	Bend	trans	-92.6	139.8	-180	-61.1	-65.1	0	0	0	110.5	L292 H312 S314 L454 F458 F460	L292-I316 HydrophobicContact CB-CD1 4.24Å; L292-I316 HydrophobicContact CD1-CD1 3.98Å; L292-I316 HydrophobicContact CD2-CD1 4.16Å; L292-I316 HydrophobicContact CG-CD1 4.36Å; H312-I316 PolarHBondContact N-O 3.14Å; S314-I316 VanDerWaalsContact C-N 3.32Å; S314-I316 PolarHBondContact O-N 3.06Å; I316-L454 HydrophobicContact CD1-CD2 4.2Å; I316-L454 HydrophobicContact CG1-CD1 3.56Å; I316-L454 HydrophobicContact CG1-CD2 3.84Å; I316-L454 HydrophobicContact CG1-CG 4.21Å; I316-F458 HydrophobicContact CD1-CB 4.44Å; I316-F458 HydrophobicContact CD1-CD2 3.96Å; I316-F458 HydrophobicContact CD1-CE2 4.37Å; I316-F458 HydrophobicContact CD1-CG 4.08Å; I316-F460 HydrophobicContact CD1-CE1 3.78Å; I316-F460 HydrophobicContact CD1-CZ 3.63Å; I316-F460 HydrophobicContact CG1-CE1 4.18Å; I316-F460 HydrophobicContact CG1-CZ 4.04Å
317	P	89.9	Confident	90.5	Very high	25 Å²	25	41 Å²	41	16%	0.162	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	139.2	171.7	27.5	-34.6	0	0	0	111.5	L292 M309 T310 F311 W329	L292-P317 HydrophobicContact CD2-CG 4.28Å; M309-P317 HydrophobicContact CE-CB 4.31Å; M309-P317 HydrophobicContact CG-CB 3.82Å; M309-P317 HydrophobicContact SD-CB 3.68Å; T310-P317 CarbonylContact O-C 3.55Å; T310-P317 WeakPolarHBondContact O-CA 3Å; F311-P317 HydrophobicContact CD1-CB 4.49Å; F311-P317 HydrophobicContact CE1-CB 4.06Å; F311-P317 HydrophobicContact CE1-CG 4.35Å; F311-P317 HydrophobicContact CE2-CB 4.44Å; F311-P317 HydrophobicContact CZ-CB 4.02Å; P317-W329 PolarHBondContact O-NE1 2.98Å; P317-W329 VanDerWaalsContact O-NE1 3.08Å
318	V	92.1	Very high	90.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.4	-179.3	64.6	0	0	0	0	109.7	M309 T310 H312 V327 W329 I340	M309-V318 WeakPolarHBondContact CA-O 3.27Å; T310-V318 HydrophobicContact CG2-CG1 3.94Å; T310-V318 PolarHBondContact N-O 3.02Å; T310-V318 WeakPolarHBondContact O-CG1 3.18Å; T310-V318 PolarHBondContact O-N 2.99Å; H312-V318 HydrophobicContact CB-CG1 4.19Å; V318-V327 HydrophobicContact CG2-CG1 3.38Å; V318-W329 HydrophobicContact CB-CD2 4.37Å; V318-W329 HydrophobicContact CB-CZ2 3.71Å; V318-W329 HydrophobicContact CG1-CZ2 4.47Å; V318-W329 HydrophobicContact CG2-CD2 3.83Å; V318-W329 VanDerWaalsContact CG2-CE2 3.45Å; V318-W329 HydrophobicContact CG2-CE3 4.25Å; V318-W329 HydrophobicContact CG2-CG 4.37Å; V318-W329 HydrophobicContact CG2-CH2 4Å; V318-W329 HydrophobicContact CG2-CZ2 3.57Å; V318-W329 HydrophobicContact CG2-CZ3 4.31Å; V318-I340 HydrophobicContact CG1-CD1 3.88Å; V318-I340 HydrophobicContact CG1-CG1 3.78Å
319	Y	94.1	Very high	90.3	Very high	72 Å²	72	39.1 Å²	39.1	28%	0.282	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.7	-178.4	-55.6	-79.8	0	0	0	111.7	L303 I308 M309 V327 T328	L303-Y319 HydrophobicContact CD1-CD1 4.01Å; L303-Y319 HydrophobicContact CD1-CE1 4.27Å; L303-Y319 HydrophobicContact CD2-CD1 3.93Å; L303-Y319 HydrophobicContact CD2-CE1 3.8Å; I308-Y319 CarbonylContact O-C 3.57Å; I308-Y319 WeakPolarHBondContact O-CA 3.27Å; M309-Y319 HydrophobicContact CB-CD1 4.02Å; M309-Y319 HydrophobicContact CB-CE1 3.97Å; M309-Y319 HydrophobicContact CE-CE1 3.55Å; M309-Y319 WeakPolarHBondContact CE-OH 3.25Å; M309-Y319 HydrophobicContact CG-CD1 4.38Å; M309-Y319 HydrophobicContact CG-CE1 4.09Å; Y319-V327 CarbonylContact O-C 3.57Å; Y319-V327 VanDerWaalsContact O-CA 3.27Å; Y319-V327 WeakPolarHBondContact O-CA 3.24Å; Y319-V327 WeakPolarHBondContact O-CG1 3.33Å; Y319-T328 PolarHBondContact N-O 2.85Å; Y319-T328 PolarHBondContact O-N 3.19Å
320	L	94	Very high	90.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.5	179.9	166.5	62.7	0	0	0	111.1	L248 W307 I308 V326 V327 I340	L248-L320 HydrophobicContact CD1-CD2 3.94Å; L248-L320 HydrophobicContact CD2-CD2 3.59Å; L248-L320 HydrophobicContact CG-CD2 4.45Å; W307-L320 CarbonylContact C-O 3.55Å; W307-L320 WeakPolarHBondContact CA-O 3.34Å; W307-L320 VanDerWaalsContact CE3-C 3.48Å; I308-L320 HydrophobicContact CD1-CD2 4.3Å; I308-L320 HydrophobicContact CG1-CB 4.11Å; I308-L320 HydrophobicContact CG1-CD2 4.48Å; I308-L320 HydrophobicContact CG1-CG 4.44Å; I308-L320 PolarHBondContact N-O 3.21Å; I308-L320 PolarHBondContact O-N 3.28Å; L320-V326 WeakPolarHBondContact CA-O 3.26Å; L320-V327 HydrophobicContact CB-CG2 4.35Å; L320-V327 HydrophobicContact CD1-CG2 3.67Å; L320-I340 HydrophobicContact CB-CD1 3.47Å; L320-I340 VanDerWaalsContact CB-CD1 3.47Å; L320-I340 HydrophobicContact CD2-CD1 3.82Å; L320-I340 HydrophobicContact CG-CD1 4.13Å
321	H	93.9	Very high	90.4	Very high	26 Å²	26	46.9 Å²	46.9	12%	0.12	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	112.8	161.9	-168.4	-112.5	0	0	0	109.4	G306 W307 E323 T324 R325 V326	G306-H321 VanDerWaalsContact C-CD2 3.47Å; W307-H321 AromaticContact CD1-CD2 3.56Å; W307-H321 HydrophobicContact CD2-CB 3.9Å; W307-H321 AromaticContact CE2-CD2 3.97Å; W307-H321 HydrophobicContact CE3-CB 4.11Å; W307-H321 HydrophobicContact CG-CB 4.48Å; W307-H321 HydrophobicContact CH2-CB 4.09Å; W307-H321 HydrophobicContact CZ2-CB 3.86Å; W307-H321 HydrophobicContact CZ3-CB 4.2Å; W307-H321 AromaticContact NE1-CD2 3.51Å; H321-E323 VanDerWaalsContact C-N 3.34Å; H321-E323 IonicContact CE1-OE2 3.15Å; H321-E323 PolarHBondContact O-N 3.24Å; H321-T324 PolarHBondContact ND1-N 3.38Å; H321-T324 PolarHBondContact ND1-OG1 2.95Å; H321-R325 PolarHBondContact O-N 2.96Å; H321-V326 PolarHBondContact N-O 3.16Å
322	R	89.4	Confident	90.5	Very high	116 Å²	116	48.6 Å²	48.6	44%	0.438	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-43.3	-169.6	-70.2	175.3	65.2	-156.3	-0.7	112.8	G306 I308	G306-R322 WeakPolarHBondContact O-CG 3.38Å; G306-R322 PolarHBondContact O-N 3.45Å; I308-R322 HydrophobicContact CD1-CG 3.98Å; I308-R322 HydrophobicContact CG1-CG 4.13Å; I308-R322 HydrophobicContact CG2-CG 4.28Å
323	E	87.9	Confident	90.5	Very high	163 Å²	163	49.7 Å²	49.7	76%	0.762	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-44.8	-172.1	-53.2	-177.2	158.7	0	0	112.8	H321	H321-E323 VanDerWaalsContact C-N 3.34Å; H321-E323 IonicContact CE1-OE2 3.15Å; H321-E323 PolarHBondContact O-N 3.24Å
324	T	90.4	Very high	90.7	Very high	69 Å²	69	50.6 Å²	50.6	42%	0.423	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-4.6	-175	60.5	0	0	0	0	113.5	H321 V326 F334	H321-T324 PolarHBondContact ND1-N 3.38Å; H321-T324 PolarHBondContact ND1-OG1 2.95Å; T324-V326 PolarHBondContact O-N 3.1Å; T324-V326 VanDerWaalsContact O-N 3.14Å; T324-V326 WeakPolarHBondContact OG1-CG2 2.96Å; T324-F334 WeakPolarHBondContact O-CE2 3.44Å
325	R	90.6	Very high	90.7	Very high	50 Å²	50	51.4 Å²	51.4	19%	0.189	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	27	-178.4	-59.1	-73.4	-63.2	175.4	2.2	113.3	H321 F334 L335 G336 G338	H321-R325 PolarHBondContact O-N 2.96Å; R325-F334 HydrophobicContact CB-CD2 4.33Å; R325-F334 HydrophobicContact CB-CE2 3.9Å; R325-L335 WeakPolarHBondContact O-CB 3.43Å; R325-L335 PolarHBondContact O-N 3.31Å; R325-G336 PolarHBondContact NE-O 3.24Å; R325-G336 PolarHBondContact NH2-O 3.27Å; R325-G338 PolarHBondContact NH2-O 2.89Å
326	V	91.9	Very high	90.7	Very high	37 Å²	37	52 Å²	52	22%	0.224	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.3	174.1	173.2	0	0	0	0	109.2	W307 L320 H321 T324 P332 Y333	W307-V326 HydrophobicContact CH2-CG1 4.36Å; L320-V326 WeakPolarHBondContact CA-O 3.26Å; H321-V326 PolarHBondContact N-O 3.16Å; T324-V326 PolarHBondContact O-N 3.1Å; T324-V326 VanDerWaalsContact O-N 3.14Å; T324-V326 WeakPolarHBondContact OG1-CG2 2.96Å; V326-P332 HydrophobicContact CG1-CB 3.64Å; V326-Y333 CarbonylContact C-O 3.59Å; V326-Y333 WeakPolarHBondContact CA-O 3.49Å
327	V	93.3	Very high	90.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148	-177.2	-178.1	0	0	0	0	109.6	V318 Y319 L320 P332 Y333 L335 I340	V318-V327 HydrophobicContact CG2-CG1 3.38Å; Y319-V327 CarbonylContact O-C 3.57Å; Y319-V327 VanDerWaalsContact O-CA 3.27Å; Y319-V327 WeakPolarHBondContact O-CA 3.24Å; Y319-V327 WeakPolarHBondContact O-CG1 3.33Å; L320-V327 HydrophobicContact CB-CG2 4.35Å; L320-V327 HydrophobicContact CD1-CG2 3.67Å; V327-P332 WeakPolarHBondContact O-CA 3.5Å; V327-Y333 HydrophobicContact CB-CE1 4.35Å; V327-Y333 HydrophobicContact CB-CE2 4.09Å; V327-Y333 HydrophobicContact CG1-CE1 4.34Å; V327-Y333 HydrophobicContact CG1-CE2 4.42Å; V327-Y333 WeakPolarHBondContact CG1-OH 3.43Å; V327-Y333 PolarHBondContact N-O 2.8Å; V327-Y333 WeakPolarHBondContact O-CD1 3.3Å; V327-Y333 WeakPolarHBondContact O-CE1 3.24Å; V327-Y333 PolarHBondContact O-N 3.42Å; V327-L335 HydrophobicContact CB-CB 4.5Å; V327-L335 HydrophobicContact CG2-CB 3.63Å; V327-L335 HydrophobicContact CG2-CD2 3.79Å; V327-L335 HydrophobicContact CG2-CG 4.28Å; V327-I340 HydrophobicContact CG1-CD1 3.99Å; V327-I340 HydrophobicContact CG1-CG1 4.4Å; V327-I340 HydrophobicContact CG2-CD1 3.94Å
328	T	93.1	Very high	89.8	Confident	18 Å²	18	57.2 Å²	57.2	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	146.4	175.5	-163.3	0	0	0	0	114.1	W307 Y319 S330 R331	W307-T328 HydrophobicContact CH2-CG2 4.33Å; W307-T328 HydrophobicContact CZ3-CG2 4.05Å; Y319-T328 PolarHBondContact N-O 2.85Å; Y319-T328 PolarHBondContact O-N 3.19Å; T328-S330 PolarHBondContact OG1-N 3.03Å; T328-S330 PolarHBondContact OG1-O 3.49Å; T328-R331 VanDerWaalsContact OG1-C 3.32Å; T328-R331 PolarHBondContact OG1-O 3.11Å
329	W	89.3	Confident	89.5	Confident	50 Å²	50	60.4 Å²	60.4	19%	0.189	31%	0.312	C	S	.	.	S	Bend	trans	-105.4	-28.1	150.6	-68.2	-83	0	0	0	112	H312 P317 V318 Y333 H343 P345 F450	H312-W329 HydrophobicContact CB-CZ2 3.85Å; H312-W329 AromaticContact CG-CZ2 3.92Å; P317-W329 PolarHBondContact O-NE1 2.98Å; P317-W329 VanDerWaalsContact O-NE1 3.08Å; V318-W329 HydrophobicContact CB-CD2 4.37Å; V318-W329 HydrophobicContact CB-CZ2 3.71Å; V318-W329 HydrophobicContact CG1-CZ2 4.47Å; V318-W329 HydrophobicContact CG2-CD2 3.83Å; V318-W329 VanDerWaalsContact CG2-CE2 3.45Å; V318-W329 HydrophobicContact CG2-CE3 4.25Å; V318-W329 HydrophobicContact CG2-CG 4.37Å; V318-W329 HydrophobicContact CG2-CH2 4Å; V318-W329 HydrophobicContact CG2-CZ2 3.57Å; V318-W329 HydrophobicContact CG2-CZ3 4.31Å; W329-Y333 HydrophobicContact CE3-CE1 4.24Å; W329-Y333 HydrophobicContact CZ3-CE1 4.15Å; W329-Y333 AromaticContact CZ3-CZ 3.93Å; W329-Y333 WeakPolarHBondContact CZ3-OH 3.34Å; W329-H343 AromaticContact CH2-NE2 3.74Å; W329-P345 HydrophobicContact CE3-CB 4.48Å; W329-P345 HydrophobicContact CH2-CB 4.1Å; W329-P345 HydrophobicContact CZ3-CB 3.6Å; W329-P345 HydrophobicContact CZ3-CG 4.49Å; W329-F450 HydrophobicContact CH2-CE1 4.16Å; W329-F450 HydrophobicContact CZ2-CE1 4.07Å; W329-F450 HydrophobicContact CZ2-CZ 4.32Å
330	S	89.7	Confident	89.2	Confident	70 Å²	70	57.2 Å²	57.2	49%	0.49	30%	0.3	S	S	.	.	S	Bend	trans	-151.9	-72.9	174.7	63.9	0	0	0	0	111.5	T328 P332 S349 P351	T328-S330 PolarHBondContact OG1-N 3.03Å; T328-S330 PolarHBondContact OG1-O 3.49Å; S330-P332 WeakPolarHBondContact O-CD 3.4Å; S330-S349 PolarHBondContact OG-O 3.41Å; S330-P351 WeakPolarHBondContact OG-CD 3.36Å
331	R	89.7	Confident	88.9	Confident	160 Å²	160	58.2 Å²	58.2	60%	0.604	30%	0.303	S	S	*	.	S	Bend	trans	-80.4	120.3	169.1	179.2	-174.7	178.7	92.8	-3.2	109.6	T328 S348	T328-R331 VanDerWaalsContact OG1-C 3.32Å; T328-R331 PolarHBondContact OG1-O 3.11Å; R331-S348 VanDerWaalsContact CD-O 3.25Å; R331-S348 WeakPolarHBondContact CD-O 3.35Å
332	P	92.3	Very high	88.5	Confident	73 Å²	73	64.4 Å²	64.4	47%	0.474	33%	0.33	S	S	.	.			trans	-69.9	148.7	179.2	-17.9	31.7	0	0	0	113.5	V326 V327 S330	V326-P332 HydrophobicContact CG1-CB 3.64Å; V327-P332 WeakPolarHBondContact O-CA 3.5Å; S330-P332 WeakPolarHBondContact O-CD 3.4Å
333	Y	91.2	Very high	88.4	Confident	29 Å²	29	59.9 Å²	59.9	11%	0.114	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	166.8	175.7	60.2	-81	0	0	0	110.3	V326 V327 W329 H343 P346	V326-Y333 CarbonylContact C-O 3.59Å; V326-Y333 WeakPolarHBondContact CA-O 3.49Å; V327-Y333 HydrophobicContact CB-CE1 4.35Å; V327-Y333 HydrophobicContact CB-CE2 4.09Å; V327-Y333 HydrophobicContact CG1-CE1 4.34Å; V327-Y333 HydrophobicContact CG1-CE2 4.42Å; V327-Y333 WeakPolarHBondContact CG1-OH 3.43Å; V327-Y333 PolarHBondContact N-O 2.8Å; V327-Y333 WeakPolarHBondContact O-CD1 3.3Å; V327-Y333 WeakPolarHBondContact O-CE1 3.24Å; V327-Y333 PolarHBondContact O-N 3.42Å; W329-Y333 HydrophobicContact CE3-CE1 4.24Å; W329-Y333 HydrophobicContact CZ3-CE1 4.15Å; W329-Y333 AromaticContact CZ3-CZ 3.93Å; W329-Y333 WeakPolarHBondContact CZ3-OH 3.34Å; Y333-H343 AromaticContact CE2-CD2 3.93Å; Y333-P346 HydrophobicContact CD2-CG 3.85Å; Y333-P346 HydrophobicContact CE2-CG 4.4Å; Y333-P346 HydrophobicContact CG-CG 3.94Å
334	F	90.4	Very high	88.5	Confident	88 Å²	88	55.8 Å²	55.8	39%	0.386	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127	-179	-177.9	-112.9	0	0	0	110.9	T324 R325 V437	T324-F334 WeakPolarHBondContact O-CE2 3.44Å; R325-F334 HydrophobicContact CB-CD2 4.33Å; R325-F334 HydrophobicContact CB-CE2 3.9Å; F334-V437 HydrophobicContact CD1-CB 4.39Å
335	L	87.2	Confident	88.4	Confident	17 Å²	17	52.5 Å²	52.5	9%	0.089	28%	0.277	C	S	.	.			trans	-85.4	-21.3	178.2	175.7	64.3	0	0	0	112.8	R325 V327 T337 G338 I340 H343	R325-L335 WeakPolarHBondContact O-CB 3.43Å; R325-L335 PolarHBondContact O-N 3.31Å; V327-L335 HydrophobicContact CB-CB 4.5Å; V327-L335 HydrophobicContact CG2-CB 3.63Å; V327-L335 HydrophobicContact CG2-CD2 3.79Å; V327-L335 HydrophobicContact CG2-CG 4.28Å; L335-T337 PolarHBondContact O-N 3.27Å; L335-G338 WeakPolarHBondContact CD2-O 3.35Å; L335-G338 PolarHBondContact O-N 2.74Å; L335-I340 HydrophobicContact CD2-CB 3.72Å; L335-I340 HydrophobicContact CD2-CG1 4.39Å; L335-H343 HydrophobicContact CD1-CB 3.76Å; L335-H343 VanDerWaalsContact CD1-CG 3.44Å
336	G	86.4	Confident	88.4	Confident	17 Å²	17	50.7 Å²	50.7	18%	0.175	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-134.5	-172.5	0	0	0	0	0	112.5	R325 G338	R325-G336 PolarHBondContact NE-O 3.24Å; R325-G336 PolarHBondContact NH2-O 3.27Å; G336-G338 PolarHBondContact O-N 2.66Å
337	T	81.5	Confident	88.2	Confident	120 Å²	120	49.6 Å²	49.6	74%	0.736	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	5.6	177	52.8	0	0	0	0	113.7	L335	L335-T337 PolarHBondContact O-N 3.27Å
338	G	77.7	Confident	87.9	Confident	27 Å²	27	51.7 Å²	51.7	28%	0.278	28%	0.28	S	S	.	.	S	Bend	trans	-65.6	157	178.4	0	0	0	0	0	113.7	R325 L335 G336	R325-G338 PolarHBondContact NH2-O 2.89Å; L335-G338 WeakPolarHBondContact CD2-O 3.35Å; L335-G338 PolarHBondContact O-N 2.74Å; G336-G338 PolarHBondContact O-N 2.66Å
339	S	86.3	Confident	87.8	Confident	67 Å²	67	50.9 Å²	50.9	47%	0.469	28%	0.275	S	S	.	.			trans	-83.8	122.9	170.2	-179.8	0	0	0	0	109.7	R341 K342 H343	S339-R341 PolarHBondContact O-N 2.9Å; S339-K342 CarbonylContact O-C 3.59Å; S339-K342 PolarHBondContact O-N 3.37Å; S339-H343 VanDerWaalsContact C-CE1 3.44Å; S339-H343 PolarHBondContact O-CE1 3.05Å; S339-H343 PolarHBondContact O-N 3.29Å; S339-H343 PolarHBondContact O-ND1 2.87Å
340	I	87.3	Confident	87.8	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.5	-178.9	-174.6	156.1	0	0	0	113.4	L248 T310 H312 V318 L320 V327 L335 H343	L248-I340 HydrophobicContact CD1-CG2 3.88Å; T310-I340 HydrophobicContact CG2-CD1 3.8Å; T310-I340 HydrophobicContact CG2-CG1 4.07Å; T310-I340 HydrophobicContact CG2-CG2 3.99Å; H312-I340 PolarHBondContact CD2-O 2.88Å; H312-I340 VanDerWaalsContact CD2-O 3.27Å; V318-I340 HydrophobicContact CG1-CD1 3.88Å; V318-I340 HydrophobicContact CG1-CG1 3.78Å; L320-I340 HydrophobicContact CB-CD1 3.47Å; L320-I340 VanDerWaalsContact CB-CD1 3.47Å; L320-I340 HydrophobicContact CD2-CD1 3.82Å; L320-I340 HydrophobicContact CG-CD1 4.13Å; V327-I340 HydrophobicContact CG1-CD1 3.99Å; V327-I340 HydrophobicContact CG1-CG1 4.4Å; V327-I340 HydrophobicContact CG2-CD1 3.94Å; L335-I340 HydrophobicContact CD2-CB 3.72Å; L335-I340 HydrophobicContact CD2-CG1 4.39Å; I340-H343 WeakPolarHBondContact CA-CE1 3.05Å; I340-H343 PolarHBondContact O-CE1 3.09Å; I340-H343 PolarHBondContact O-ND1 3.03Å; I340-H343 PolarHBondContact O-NE2 2.84Å
341	R	87.5	Confident	87.8	Confident	20 Å²	20	49.1 Å²	49.1	8%	0.075	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-11.6	178.2	-54.4	-165	-169.8	-97.3	6	114.7	D241 D245 T310 F311 H312 N313 S339 H343	D241-R341 PolarHBondContact O-NH2 2.7Å; D241-R341 IonicContact OD1-CZ 3.8Å; D241-R341 VanDerWaalsContact OD1-CZ 3.24Å; D241-R341 IonicContact OD1-NH1 3.02Å; D241-R341 PolarHBondContact OD1-NH1 3.32Å; D241-R341 IonicContact OD1-NH2 2.72Å; D241-R341 PolarHBondContact OD1-NH2 3.41Å; D245-R341 IonicContact OD1-CZ 2.69Å; D245-R341 IonicContact OD1-NE 2.7Å; D245-R341 PolarHBondContact OD1-NE 3.06Å; D245-R341 IonicContact OD1-NH2 2.97Å; D245-R341 PolarHBondContact OD1-NH2 3.24Å; D245-R341 IonicContact OD2-CZ 2.69Å; D245-R341 IonicContact OD2-NE 3.25Å; D245-R341 PolarHBondContact OD2-NE 3.23Å; D245-R341 IonicContact OD2-NH2 3.33Å; T310-R341 PolarHBondContact OG1-NH1 3.14Å; T310-R341 PolarHBondContact OG1-NH2 3.2Å; T310-R341 VanDerWaalsContact OG1-NH2 3.11Å; F311-R341 PolarHBondContact O-NH1 3.08Å; H312-R341 VanDerWaalsContact CD2-C 3.43Å; H312-R341 PolarHBondContact CD2-O 3.05Å; H312-R341 VanDerWaalsContact CD2-O 3.29Å; N313-R341 WeakPolarHBondContact CB-O 3.45Å; N313-R341 PolarHBondContact N-O 3.17Å; N313-R341 PolarHBondContact ND2-O 3.3Å; N313-R341 VanDerWaalsContact ND2-O 3.08Å; N313-R341 PolarHBondContact OD1-O 2.97Å; S339-R341 PolarHBondContact O-N 2.9Å; R341-H343 PolarHBondContact N-CE1 2.79Å
342	K	85.6	Confident	87.8	Confident	157 Å²	157	45.1 Å²	45.1	68%	0.683	26%	0.263	S	S	*	.	S	Bend	trans	-140.6	37.8	-168.3	-59.6	178.5	173.7	-178	0	113.1	S339	S339-K342 CarbonylContact O-C 3.59Å; S339-K342 PolarHBondContact O-N 3.37Å
343	H	87.5	Confident	87.6	Confident	21 Å²	21	42 Å²	42	10%	0.097	24%	0.242	C	C	.	.			trans	-118.1	141.2	178.8	69.9	-74.9	0	0	0	109	H312 W329 Y333 L335 S339 I340 R341 P345	H312-H343 AromaticContact CD2-CE1 3.91Å; H312-H343 AromaticContact CD2-NE2 3.99Å; H312-H343 PolarHBondContact NE2-O 3.19Å; W329-H343 AromaticContact CH2-NE2 3.74Å; Y333-H343 AromaticContact CE2-CD2 3.93Å; L335-H343 HydrophobicContact CD1-CB 3.76Å; L335-H343 VanDerWaalsContact CD1-CG 3.44Å; S339-H343 VanDerWaalsContact C-CE1 3.44Å; S339-H343 PolarHBondContact O-CE1 3.05Å; S339-H343 PolarHBondContact O-N 3.29Å; S339-H343 PolarHBondContact O-ND1 2.87Å; I340-H343 WeakPolarHBondContact CA-CE1 3.05Å; I340-H343 PolarHBondContact O-CE1 3.09Å; I340-H343 PolarHBondContact O-ND1 3.03Å; I340-H343 PolarHBondContact O-NE2 2.84Å; R341-H343 PolarHBondContact N-CE1 2.79Å; H343-P345 WeakPolarHBondContact O-CD 3.37Å
344	D	88.9	Confident	87.5	Confident	76 Å²	76	44.3 Å²	44.3	41%	0.406	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-76.1	119.4	177.2	-54.8	-70.7	0	0	0	108.5	L447	D344-L447 PolarHBondContact OD1-N 2.64Å
345	P	89.6	Confident	87.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-68.9	139.5	-176.3	27.9	-36.9	0	0	0	111.3	W329 H343 T347 I350 S444 V445 F450	W329-P345 HydrophobicContact CE3-CB 4.48Å; W329-P345 HydrophobicContact CH2-CB 4.1Å; W329-P345 HydrophobicContact CZ3-CB 3.6Å; W329-P345 HydrophobicContact CZ3-CG 4.49Å; H343-P345 WeakPolarHBondContact O-CD 3.37Å; P345-T347 PolarHBondContact O-N 3.1Å; P345-I350 HydrophobicContact CB-CD1 4.31Å; P345-I350 HydrophobicContact CG-CD1 4.22Å; P345-S444 WeakPolarHBondContact O-CA 3.19Å; P345-V445 WeakPolarHBondContact CD-O 3.41Å; P345-V445 HydrophobicContact CG-CB 4.25Å; P345-V445 PolarHBondContact O-N 3.27Å; P345-F450 HydrophobicContact CG-CD1 3.72Å; P345-F450 HydrophobicContact CG-CE1 3.88Å; P345-F450 HydrophobicContact CG-CG 4.08Å; P345-F450 HydrophobicContact CG-CZ 4.37Å
346	P	90.1	Very high	87.6	Confident	12 Å²	12	52.1 Å²	52.1	8%	0.078	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-58.4	136.1	169.7	-21.8	32.7	0	0	0	110.1	Y333 S348 S349 V439	Y333-P346 HydrophobicContact CD2-CG 3.85Å; Y333-P346 HydrophobicContact CE2-CG 4.4Å; Y333-P346 HydrophobicContact CG-CG 3.94Å; P346-S348 PolarHBondContact O-N 3.01Å; P346-S348 VanDerWaalsContact O-N 3.17Å; P346-S349 VanDerWaalsContact O-CB 3.27Å; P346-S349 WeakPolarHBondContact O-CB 3.5Å; P346-S349 PolarHBondContact O-N 2.92Å; P346-S349 PolarHBondContact O-OG 3.01Å; P346-V439 HydrophobicContact CG-CG1 4.12Å
347	T	88.2	Confident	87.7	Confident	15 Å²	15	54.1 Å²	54.1	9%	0.092	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-54.4	-40	179.4	-59.1	0	0	0	0	111.2	P345 S349 I350 H354 K357 E443 V445	P345-T347 PolarHBondContact O-N 3.1Å; T347-S349 PolarHBondContact O-N 3.34Å; T347-I350 PolarHBondContact O-N 3.39Å; T347-I350 VanDerWaalsContact O-N 3.12Å; T347-H354 HydrophobicContact CG2-CB 3.95Å; T347-K357 HydrophobicContact CG2-CD 4Å; T347-E443 VanDerWaalsContact CB-O 3.26Å; T347-E443 WeakPolarHBondContact CB-O 3.47Å; T347-E443 PolarHBondContact N-O 2.79Å; T347-E443 PolarHBondContact OG1-O 2.85Å; T347-V445 HydrophobicContact CG2-CG2 4.32Å; T347-V445 VanDerWaalsContact OG1-CG2 3.24Å; T347-V445 WeakPolarHBondContact OG1-CG2 3.41Å
348	S	86.8	Confident	88	Confident	43 Å²	43	52.6 Å²	52.6	30%	0.301	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-64.9	-14.9	177.1	60.2	0	0	0	0	114.8	R331 P346 I350	R331-S348 VanDerWaalsContact CD-O 3.25Å; R331-S348 WeakPolarHBondContact CD-O 3.35Å; P346-S348 PolarHBondContact O-N 3.01Å; P346-S348 VanDerWaalsContact O-N 3.17Å; S348-I350 PolarHBondContact O-N 3.27Å
349	S	89.9	Confident	88.7	Confident	2 Å²	2	55 Å²	55	1%	0.014	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-74	-12	173.3	74.5	0	0	0	0	113.5	S330 P346 T347	S330-S349 PolarHBondContact OG-O 3.41Å; P346-S349 VanDerWaalsContact O-CB 3.27Å; P346-S349 WeakPolarHBondContact O-CB 3.5Å; P346-S349 PolarHBondContact O-N 2.92Å; P346-S349 PolarHBondContact O-OG 3.01Å; T347-S349 PolarHBondContact O-N 3.34Å
350	I	90.9	Very high	88.8	Confident	13 Å²	13	54.8 Å²	54.8	7%	0.067	27%	0.269	C	S	.	.	S	Bend	trans	-127.5	81.1	-178.7	-52.7	151.6	0	0	0	108.1	P345 T347 S348 C352 L353 H354 F450 Y453	P345-I350 HydrophobicContact CB-CD1 4.31Å; P345-I350 HydrophobicContact CG-CD1 4.22Å; T347-I350 PolarHBondContact O-N 3.39Å; T347-I350 VanDerWaalsContact O-N 3.12Å; S348-I350 PolarHBondContact O-N 3.27Å; I350-C352 VanDerWaalsContact C-N 3.26Å; I350-C352 PolarHBondContact O-N 3.24Å; I350-C352 VanDerWaalsContact O-N 3.1Å; I350-L353 HydrophobicContact CB-CB 4.03Å; I350-L353 HydrophobicContact CD1-CD2 4.12Å; I350-L353 HydrophobicContact CG2-CB 3.57Å; I350-L353 PolarHBondContact O-N 3.35Å; I350-H354 PolarHBondContact O-N 3.22Å; I350-F450 HydrophobicContact CD1-CD2 3.8Å; I350-F450 HydrophobicContact CD1-CE2 3.35Å; I350-F450 HydrophobicContact CD1-CZ 3.93Å; I350-F450 HydrophobicContact CG1-CE2 4.25Å; I350-Y453 HydrophobicContact CG2-CE1 3.9Å
351	P	89.4	Confident	88.9	Confident	69 Å²	69	58.6 Å²	58.6	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-55.7	-34.4	-169.3	-29.5	36.1	0	0	0	115.1	S330 H354 Y355	S330-P351 WeakPolarHBondContact OG-CD 3.36Å; P351-H354 PolarHBondContact O-N 3.49Å; P351-Y355 WeakPolarHBondContact O-CB 3.32Å; P351-Y355 PolarHBondContact O-N 3.06Å
352	C	89.3	Confident	89.1	Confident	76 Å²	76	63.4 Å²	63.4	51%	0.514	31%	0.311	S	S	.	.	H	α-helix	trans	-68.3	-36.1	176.1	41	0	0	0	0	113.6	I350 K356 Y453	I350-C352 VanDerWaalsContact C-N 3.26Å; I350-C352 PolarHBondContact O-N 3.24Å; I350-C352 VanDerWaalsContact O-N 3.1Å; C352-K356 WeakPolarHBondContact O-CB 3.34Å; C352-K356 PolarHBondContact O-N 3.11Å; C352-Y453 PolarHBondContact SG-OH 2.98Å
353	L	88.1	Confident	89.3	Confident	8 Å²	8	60.1 Å²	60.1	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-74.6	-40.4	172.7	176.5	57.2	0	0	0	110.8	I350 K356 K357 V445 Y453	I350-L353 HydrophobicContact CB-CB 4.03Å; I350-L353 HydrophobicContact CD1-CD2 4.12Å; I350-L353 HydrophobicContact CG2-CB 3.57Å; I350-L353 PolarHBondContact O-N 3.35Å; L353-K356 PolarHBondContact O-N 3.03Å; L353-K357 HydrophobicContact CD1-CG 4.36Å; L353-K357 PolarHBondContact O-N 2.92Å; L353-V445 HydrophobicContact CD2-CG1 4Å; L353-V445 HydrophobicContact CD2-CG2 3.88Å; L353-Y453 HydrophobicContact CB-CD1 4.29Å; L353-Y453 HydrophobicContact CB-CD2 4.44Å; L353-Y453 HydrophobicContact CB-CE1 4.1Å; L353-Y453 HydrophobicContact CB-CE2 4.26Å; L353-Y453 HydrophobicContact CB-CG 4.47Å; L353-Y453 HydrophobicContact CD1-CD2 3.82Å; L353-Y453 HydrophobicContact CD1-CE2 4.32Å; L353-Y453 HydrophobicContact CD1-CG 3.98Å; L353-Y453 HydrophobicContact CD2-CD1 4.11Å; L353-Y453 HydrophobicContact CD2-CG 4.15Å; L353-Y453 HydrophobicContact CG-CG 4.43Å
354	H	89.1	Confident	89.3	Confident	77 Å²	77	65.1 Å²	65.1	36%	0.356	32%	0.315	S	S	.	.	H	α-helix	trans	-59.7	-51.9	175.5	179.9	51.4	0	0	0	112.2	T347 I350 P351 K356 K357 M358	T347-H354 HydrophobicContact CG2-CB 3.95Å; I350-H354 PolarHBondContact O-N 3.22Å; P351-H354 PolarHBondContact O-N 3.49Å; H354-K356 VanDerWaalsContact C-N 3.25Å; H354-K356 PolarHBondContact O-N 2.93Å; H354-K357 PolarHBondContact O-N 3.3Å; H354-K357 VanDerWaalsContact O-N 3.16Å; H354-M358 WeakPolarHBondContact O-CG 3.47Å; H354-M358 PolarHBondContact O-N 3.28Å
355	Y	90.3	Very high	89.3	Confident	169 Å²	169	66.8 Å²	66.8	66%	0.663	32%	0.321	S	S	*	.	H	α-helix	trans	-56.4	-41.5	175.2	-179.3	-92.2	0	0	0	111.6	P351 M358 K359	P351-Y355 WeakPolarHBondContact O-CB 3.32Å; P351-Y355 PolarHBondContact O-N 3.06Å; Y355-M358 PolarHBondContact O-N 3.16Å; Y355-K359 HydrophobicContact CE1-CD 4.41Å; Y355-K359 WeakPolarHBondContact O-CB 3.4Å; Y355-K359 PolarHBondContact O-N 3.2Å
356	K	88.6	Confident	89.1	Confident	101 Å²	101	73.4 Å²	73.4	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-62.4	-49.4	175.6	-176	176	172.1	-179.3	0	112	C352 L353 H354 M358 K359 D360	C352-K356 WeakPolarHBondContact O-CB 3.34Å; C352-K356 PolarHBondContact O-N 3.11Å; L353-K356 PolarHBondContact O-N 3.03Å; H354-K356 VanDerWaalsContact C-N 3.25Å; H354-K356 PolarHBondContact O-N 2.93Å; K356-M358 VanDerWaalsContact C-N 3.26Å; K356-M358 PolarHBondContact O-N 3.14Å; K356-K359 PolarHBondContact O-N 2.82Å; K356-D360 WeakPolarHBondContact CE-OD1 2.91Å; K356-D360 WeakPolarHBondContact CE-OD2 3.46Å; K356-D360 IonicContact NZ-OD2 3.22Å; K356-D360 WeakPolarHBondContact O-CB 3.13Å; K356-D360 VanDerWaalsContact O-CG 3.3Å; K356-D360 PolarHBondContact O-N 2.81Å
357	K	88.8	Confident	88.6	Confident	58 Å²	58	79.2 Å²	79.2	25%	0.252	39%	0.386	S	S	.	.	H	α-helix	trans	-57.8	-39.3	178.5	-74	-161.2	179.7	-169.1	0	112.1	T347 L353 H354 Q361 E449	T347-K357 HydrophobicContact CG2-CD 4Å; L353-K357 HydrophobicContact CD1-CG 4.36Å; L353-K357 PolarHBondContact O-N 2.92Å; H354-K357 PolarHBondContact O-N 3.3Å; H354-K357 VanDerWaalsContact O-N 3.16Å; K357-Q361 VanDerWaalsContact O-CB 3.3Å; K357-Q361 WeakPolarHBondContact O-CB 3.26Å; K357-Q361 PolarHBondContact O-N 2.77Å; K357-E449 WeakPolarHBondContact CE-OE1 3.4Å; K357-E449 VanDerWaalsContact NZ-CD 3.26Å; K357-E449 IonicContact NZ-OE1 2.69Å; K357-E449 PolarHBondContact NZ-OE1 2.77Å; K357-E449 IonicContact NZ-OE2 2.65Å; K357-E449 PolarHBondContact NZ-OE2 3.08Å
358	M	88.9	Confident	87.7	Confident	88 Å²	88	81.3 Å²	81.3	43%	0.433	41%	0.41	S	S	.	.	H	α-helix	trans	-66.8	-42.2	176.5	-61.2	-73.7	86.6	0	0	112.4	H354 Y355 K356 Q361 E362	H354-M358 WeakPolarHBondContact O-CG 3.47Å; H354-M358 PolarHBondContact O-N 3.28Å; Y355-M358 PolarHBondContact O-N 3.16Å; K356-M358 VanDerWaalsContact C-N 3.26Å; K356-M358 PolarHBondContact O-N 3.14Å; M358-Q361 WeakPolarHBondContact O-CB 3.28Å; M358-Q361 PolarHBondContact O-N 2.81Å; M358-E362 PolarHBondContact O-N 2.82Å
359	K	91	Very high	86.5	Confident	79 Å²	79	85.9 Å²	85.9	34%	0.343	43%	0.427	S	S	.	.	H	α-helix	trans	-66.4	-44	175.2	-176.7	-177.3	173.6	-61.1	0	112.5	Y355 K356 Q361 E362 E363	Y355-K359 HydrophobicContact CE1-CD 4.41Å; Y355-K359 WeakPolarHBondContact O-CB 3.4Å; Y355-K359 PolarHBondContact O-N 3.2Å; K356-K359 PolarHBondContact O-N 2.82Å; K359-Q361 PolarHBondContact O-N 2.89Å; K359-E362 PolarHBondContact O-N 3.08Å; K359-E363 IonicContact NZ-OE1 3.17Å; K359-E363 PolarHBondContact NZ-OE1 3.5Å; K359-E363 IonicContact NZ-OE2 3.62Å; K359-E363 PolarHBondContact NZ-OE2 3.4Å; K359-E363 PolarHBondContact O-N 3.42Å
360	D	89.3	Confident	84.6	Confident	61 Å²	61	91.2 Å²	91.2	33%	0.326	46%	0.459	S	S	.	.	H	α-helix	trans	-65.7	-22.4	176.6	-67.9	8.2	0	0	0	111.5	K356 R364	K356-D360 WeakPolarHBondContact CE-OD1 2.91Å; K356-D360 WeakPolarHBondContact CE-OD2 3.46Å; K356-D360 IonicContact NZ-OD2 3.22Å; K356-D360 WeakPolarHBondContact O-CB 3.13Å; K356-D360 VanDerWaalsContact O-CG 3.3Å; K356-D360 PolarHBondContact O-N 2.81Å; D360-R364 PolarHBondContact O-N 3.33Å
361	Q	88.7	Confident	82.3	Confident	85 Å²	85	97.8 Å²	97.8	40%	0.397	50%	0.495	S	S	.	.	H	α-helix	trans	-81	-48.6	171.4	173.5	173.8	-11.4	0	0	112	K357 M358 K359 E363 R364 E365	K357-Q361 VanDerWaalsContact O-CB 3.3Å; K357-Q361 WeakPolarHBondContact O-CB 3.26Å; K357-Q361 PolarHBondContact O-N 2.77Å; M358-Q361 WeakPolarHBondContact O-CB 3.28Å; M358-Q361 PolarHBondContact O-N 2.81Å; K359-Q361 PolarHBondContact O-N 2.89Å; Q361-E363 VanDerWaalsContact C-N 3.26Å; Q361-E363 PolarHBondContact O-N 3.04Å; Q361-R364 WeakPolarHBondContact O-CA 3.36Å; Q361-R364 WeakPolarHBondContact O-CB 3.39Å; Q361-R364 PolarHBondContact O-N 3.41Å; Q361-E365 HydrophobicContact CG-CG 4.44Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.5Å; Q361-E365 PolarHBondContact NE2-OE1 2.91Å; Q361-E365 PolarHBondContact O-N 3.09Å
362	E	91.8	Very high	80.3	Confident	122 Å²	122	98.7 Å²	98.7	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-54.9	-43.4	175.3	-177.5	179.9	-162.8	0	0	111	M358 K359 R364 E365 L366	M358-E362 PolarHBondContact O-N 2.82Å; K359-E362 PolarHBondContact O-N 3.08Å; E362-R364 VanDerWaalsContact C-N 3.33Å; E362-R364 PolarHBondContact O-N 3.19Å; E362-E365 PolarHBondContact O-N 2.56Å; E362-L366 HydrophobicContact CG-CD1 4.06Å; E362-L366 WeakPolarHBondContact O-CB 3.48Å; E362-L366 VanDerWaalsContact O-CG 3.24Å; E362-L366 WeakPolarHBondContact O-CG 3.41Å; E362-L366 PolarHBondContact O-N 3.37Å
363	E	89.9	Confident	77.9	Confident	87 Å²	87	102.2 Å²	102.2	41%	0.407	52%	0.516	S	S	.	.	H	α-helix	trans	-65.3	-32.2	173.9	-74	179	175.5	0	0	113	K359 Q361 N367	K359-E363 IonicContact NZ-OE1 3.17Å; K359-E363 PolarHBondContact NZ-OE1 3.5Å; K359-E363 IonicContact NZ-OE2 3.62Å; K359-E363 PolarHBondContact NZ-OE2 3.4Å; K359-E363 PolarHBondContact O-N 3.42Å; Q361-E363 VanDerWaalsContact C-N 3.26Å; Q361-E363 PolarHBondContact O-N 3.04Å; E363-N367 VanDerWaalsContact O-CB 3.26Å; E363-N367 WeakPolarHBondContact O-CB 3.47Å; E363-N367 PolarHBondContact O-N 2.85Å; E363-N367 PolarHBondContact O-ND2 3.39Å
364	R	88.6	Confident	75.8	Confident	126 Å²	126	110.6 Å²	110.6	48%	0.475	56%	0.555	S	S	.	*	H	α-helix	trans	-71.9	-41	175.8	-171	176	-65.2	108.2	13.2	112.1	D360 Q361 E362 N367 G368 E369	D360-R364 PolarHBondContact O-N 3.33Å; Q361-R364 WeakPolarHBondContact O-CA 3.36Å; Q361-R364 WeakPolarHBondContact O-CB 3.39Å; Q361-R364 PolarHBondContact O-N 3.41Å; E362-R364 VanDerWaalsContact C-N 3.33Å; E362-R364 PolarHBondContact O-N 3.19Å; R364-N367 PolarHBondContact O-N 3.04Å; R364-G368 PolarHBondContact O-N 2.87Å; R364-G368 VanDerWaalsContact O-N 3.14Å; R364-E369 HydrophobicContact CG-CB 3.55Å; R364-E369 HydrophobicContact CG-CG 4.49Å; R364-E369 IonicContact NE-OE2 2.7Å; R364-E369 PolarHBondContact O-N 3.43Å
365	E	88.5	Confident	73.3	Confident	111 Å²	111	110.9 Å²	110.9	52%	0.519	57%	0.571	S	S	.	*	H	α-helix	trans	-65.2	-43.8	176.1	-70.3	173.2	-162.9	0	0	111	Q361 E362 N367 G368	Q361-E365 HydrophobicContact CG-CG 4.44Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.5Å; Q361-E365 PolarHBondContact NE2-OE1 2.91Å; Q361-E365 PolarHBondContact O-N 3.09Å; E362-E365 PolarHBondContact O-N 2.56Å; E365-N367 VanDerWaalsContact C-N 3.33Å; E365-N367 PolarHBondContact O-N 3.19Å; E365-G368 PolarHBondContact O-N 3.17Å; E365-G368 VanDerWaalsContact O-N 3.14Å
366	L	84.2	Confident	70.7	Confident	139 Å²	139	107.4 Å²	107.4	73%	0.728	58%	0.577	S	S	*	*	H	α-helix	trans	-64	-33.9	173.6	-72.8	169.2	0	0	0	113.3	E362 G368	E362-L366 HydrophobicContact CG-CD1 4.06Å; E362-L366 WeakPolarHBondContact O-CB 3.48Å; E362-L366 VanDerWaalsContact O-CG 3.24Å; E362-L366 WeakPolarHBondContact O-CG 3.41Å; E362-L366 PolarHBondContact O-N 3.37Å; L366-G368 VanDerWaalsContact C-N 3.28Å
367	N	80.3	Confident	68.3	Low	135 Å²	135	107 Å²	107	72%	0.722	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-2.4	175.4	-73.2	-43.1	0	0	0	113.7	E363 R364 E365	E363-N367 VanDerWaalsContact O-CB 3.26Å; E363-N367 WeakPolarHBondContact O-CB 3.47Å; E363-N367 PolarHBondContact O-N 2.85Å; E363-N367 PolarHBondContact O-ND2 3.39Å; R364-N367 PolarHBondContact O-N 3.04Å; E365-N367 VanDerWaalsContact C-N 3.33Å; E365-N367 PolarHBondContact O-N 3.19Å
368	G	70.1	Confident	65.9	Low	58 Å²	58	113.5 Å²	113.5	60%	0.598	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.7	12.2	172.2	0	0	0	0	0	116.2	R364 E365 L366 V370	R364-G368 PolarHBondContact O-N 2.87Å; R364-G368 VanDerWaalsContact O-N 3.14Å; E365-G368 PolarHBondContact O-N 3.17Å; E365-G368 VanDerWaalsContact O-N 3.14Å; L366-G368 VanDerWaalsContact C-N 3.28Å; G368-V370 PolarHBondContact O-N 3.42Å
369	E	60.8	Low	63.2	Low	140 Å²	140	113.8 Å²	113.8	65%	0.654	64%	0.637	S	S	*	*			trans	-78.1	56.5	176.2	-77.9	-166.6	143.4	0	0	112.3	R364 N371	R364-E369 HydrophobicContact CG-CB 3.55Å; R364-E369 HydrophobicContact CG-CG 4.49Å; R364-E369 IonicContact NE-OE2 2.7Å; R364-E369 PolarHBondContact O-N 3.43Å; E369-N371 PolarHBondContact O-N 2.96Å
370	V	50.2	Low	60.2	Low	113 Å²	113	116.2 Å²	116.2	69%	0.685	66%	0.664	S	S	*	*			trans	-96.2	76.8	175.6	-173.8	0	0	0	0	110.2	G368	G368-V370 PolarHBondContact O-N 3.42Å
371	N	43.4	Very low	57.2	Low	152 Å²	152	120 Å²	120	81%	0.813	68%	0.684	S	S	*	*			trans	-101.5	84.4	177.1	-126.9	37.9	0	0	0	112	E369	E369-N371 PolarHBondContact O-N 2.96Å
372	S	45.8	Very low	54.4	Low	88 Å²	88	123 Å²	123	62%	0.615	71%	0.708	S	S	*	*	S	Bend	trans	37.2	93.1	145.4	62.5	0	0	0	0	118.4
373	N	40.1	Very low	51.4	Low	149 Å²	149	120 Å²	120	80%	0.797	71%	0.711	S	S	*	*	S	Bend	trans	-144.7	-30.6	154.7	-109.5	-21.9	0	0	0	114.5	A375	N373-A375 VanDerWaalsContact C-N 3.3Å; N373-A375 PolarHBondContact O-N 3.35Å
374	E	43.7	Very low	48.6	Very low	185 Å²	185	125.7 Å²	125.7	86%	0.864	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-70.8	-22.2	177.5	-67.9	-171.4	105.9	0	0	114.3	A376	E374-A376 PolarHBondContact O-N 2.93Å
375	A	35.8	Very low	45.7	Very low	83 Å²	83	128.3 Å²	128.3	69%	0.686	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-68.7	-15.8	-179	0	0	0	0	0	114	N373 A377	N373-A375 VanDerWaalsContact C-N 3.3Å; N373-A375 PolarHBondContact O-N 3.35Å; A375-A377 VanDerWaalsContact C-N 3.31Å; A375-A377 PolarHBondContact O-N 2.86Å
376	A	35.7	Very low	42.8	Very low	96 Å²	96	128.3 Å²	128.3	79%	0.793	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-75.3	-14.7	-177.1	0	0	0	0	0	114.2	E374	E374-A376 PolarHBondContact O-N 2.93Å
377	A	38.6	Very low	40.2	Very low	92 Å²	92	130 Å²	130	76%	0.76	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-98.7	-6.2	-176.4	0	0	0	0	0	114.6	A375	A375-A377 VanDerWaalsContact C-N 3.31Å; A375-A377 PolarHBondContact O-N 2.86Å
378	K	39	Very low	37.6	Very low	195 Å²	195	129.7 Å²	129.7	85%	0.848	77%	0.765	S	S	*	*	S	Bend	trans	-145.9	56.1	-173.7	-71.9	-171.8	179.1	172.2	0	115
379	A	31.5	Very low	35.6	Very low	94 Å²	94	131.9 Å²	131.9	78%	0.777	78%	0.777	S	S	*	*			trans	-176.9	106.3	142.8	0	0	0	0	0	112.1
380	S	28	Very low	33.9	Very low	129 Å²	129	129 Å²	129	90%	0.902	79%	0.785	S	S	*	*			trans	-147.3	54.2	157.5	72.5	0	0	0	0	112.4
381	D	27.5	Very low	32.7	Very low	142 Å²	142	130.8 Å²	130.8	76%	0.759	79%	0.791	S	S	*	*			trans	-157	122.9	136	-164	2.8	0	0	0	111.8	G383	D381-G383 PolarHBondContact OD1-N 3.06Å
382	T	28.3	Very low	31.9	Very low	147 Å²	147	131 Å²	131	90%	0.902	79%	0.787	S	S	*	*			trans	-144.2	64.8	162.7	35.6	0	0	0	0	109.5	K384	T382-K384 PolarHBondContact O-N 2.74Å
383	G	30	Very low	31	Very low	60 Å²	60	134.9 Å²	134.9	62%	0.619	80%	0.796	S	S	*	*			trans	-80.2	79.4	179.9	0	0	0	0	0	116.9	D381	D381-G383 PolarHBondContact OD1-N 3.06Å
384	K	30.2	Very low	30.4	Very low	206 Å²	206	136.6 Å²	136.6	90%	0.896	80%	0.799	S	S	*	*			trans	77.5	140.8	155.4	-55.8	175.1	175.6	172.5	0	120.9	T382	T382-K384 PolarHBondContact O-N 2.74Å
385	E	27.3	Very low	29.5	Very low	181 Å²	181	136.5 Å²	136.5	85%	0.846	80%	0.798	S	S	*	*			trans	-72.4	168.7	154.2	-55.2	174.9	142.4	0	0	109.5
386	D	29.2	Very low	29.7	Very low	110 Å²	110	138 Å²	138	59%	0.588	80%	0.801	S	S	*	*			cis	-165.7	153.3	36.3	-167.5	21	0	0	0	113.3
387	K	28.6	Very low	29.1	Very low	174 Å²	174	138.6 Å²	138.6	76%	0.757	80%	0.799	S	S	*	*			trans	33	115.3	163.1	-72	158.9	-163.3	75.3	0	121.4
388	S	25.8	Very low	28.4	Very low	130 Å²	130	138.9 Å²	138.9	91%	0.909	80%	0.796	S	S	*	*				-171.8	157	115	-164.9	0	0	0	0	111.9
389	A	27.5	Very low	27.6	Very low	103 Å²	103	135.9 Å²	135.9	85%	0.851	79%	0.794	S	S	*	*			trans	-89.8	155.9	-171.7	0	0	0	0	0	115.1
390	G	25.5	Very low	27.4	Very low	80 Å²	80	138.3 Å²	138.3	83%	0.825	80%	0.798	S	S	*	*			trans	170.2	129.2	168.3	0	0	0	0	0	114.4
391	D	26.2	Very low	27.2	Very low	150 Å²	150	135.1 Å²	135.1	80%	0.802	79%	0.786	S	S	*	*			trans	-65.7	163.2	-173.3	-98.9	-51.8	0	0	0	118.5
392	Q	26.6	Very low	27.1	Very low	158 Å²	158	137.3 Å²	137.3	74%	0.738	79%	0.792	S	S	*	*			trans	69.9	120	143.3	-75.5	173.3	4.2	0	0	124.2
393	E	26.9	Very low	26.9	Very low	169 Å²	169	135.7 Å²	135.7	79%	0.79	79%	0.786	S	S	*	*				56.4	130.6	124.5	-69.4	-176.8	161.5	0	0	124.9
394	E	26.1	Very low	26.8	Very low	185 Å²	185	137.2 Å²	137.2	86%	0.864	79%	0.788	S	S	*	*			trans	71.9	160.1	147.8	-66.6	-152.4	154.7	0	0	123.5
395	H	24.4	Very low	26.7	Very low	182 Å²	182	135.9 Å²	135.9	84%	0.843	79%	0.785	S	S	*	*			trans	-78.9	-171.2	171.4	-56.9	-88.3	0	0	0	109.9
396	P	41.4	Very low	26.6	Very low	115 Å²	115	132.2 Å²	132.2	75%	0.747	77%	0.771	S	S	*	*			cis	-143.4	170.3	2.9	43.4	-24.2	0	0	0	118.5
397	S	22.4	Very low	26.5	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	78%	0.779	S	S	*	*			trans	46.6	141	135.5	-157.2	0	0	0	0	124.8
398	S	23.4	Very low	26.3	Very low	99 Å²	99	135.6 Å²	135.6	69%	0.692	78%	0.778	S	S	*	*			trans	80.2	118.8	153.3	78.9	0	0	0	0	118.1
399	T	23.6	Very low	26.3	Very low	131 Å²	131	135.1 Å²	135.1	80%	0.804	77%	0.774	S	S	*	*				90.8	131.2	73.6	-61.7	0	0	0	0	111.4
400	V	26.7	Very low	26.4	Very low	145 Å²	145	136.8 Å²	136.8	88%	0.879	77%	0.774	S	S	*	*			cis	-123.2	-173.4	14.4	-121.6	0	0	0	0	110.9
401	G	24.2	Very low	26.3	Very low	63 Å²	63	140.2 Å²	140.2	65%	0.649	77%	0.773	S	S	*	*			cis	163.2	-159.1	0.9	0	0	0	0	0	113.8
402	E	24.7	Very low	26.3	Very low	188 Å²	188	140.6 Å²	140.6	88%	0.879	77%	0.77	S	S	*	*			trans	54.9	108	166.2	-59.5	-159.9	122.1	0	0	122.5
403	S	25.4	Very low	26.2	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	76%	0.761	S	S	*	*			trans	60.9	145	139.3	60.9	0	0	0	0	122.2
404	S	26.7	Very low	26.1	Very low	93 Å²	93	133.7 Å²	133.7	65%	0.65	76%	0.758	S	S	*	*			cis	-174.1	140.5	-10.9	48.7	0	0	0	0	112.6
405	Q	27.7	Very low	26.2	Very low	178 Å²	178	130.5 Å²	130.5	83%	0.832	75%	0.751	S	S	*	*			trans	65.6	150.4	159.5	-63.5	179.1	-68.2	0	0	117.7
406	D	25.2	Very low	26.3	Very low	104 Å²	104	130.3 Å²	130.3	56%	0.556	75%	0.751	S	S	*	*			cis	-154.1	146.4	4.7	-144.2	40	0	0	0	111.2
407	R	28.1	Very low	25.6	Very low	198 Å²	198	129.7 Å²	129.7	75%	0.747	75%	0.749	S	S	*	*			trans	69.3	153.4	162.7	-56.5	170.4	-166.3	-122.9	1.3	118.3
408	E	25	Very low	25.7	Very low	157 Å²	157	134.9 Å²	134.9	73%	0.734	76%	0.758	S	S	*	*			cis	-153.5	-175.6	-3	-133	164.8	-125.9	0	0	111.2
409	S	24.9	Very low	25.9	Very low	120 Å²	120	138.8 Å²	138.8	84%	0.839	77%	0.765	S	S	*	*			trans	89.8	173.8	173.1	81.6	0	0	0	0	118.7
410	V	29.9	Very low	26.1	Very low	138 Å²	138	138.2 Å²	138.2	84%	0.836	76%	0.761	S	S	*	*			trans	-146.1	129.5	-147.7	174.8	0	0	0	0	112.8
411	D	23.8	Very low	26	Very low	152 Å²	152	140 Å²	140	81%	0.813	76%	0.76	S	S	*	*			trans	-164	159.3	139.4	-146.5	-2.8	0	0	0	114.8
412	E	25.5	Very low	26.5	Very low	157 Å²	157	141.5 Å²	141.5	73%	0.734	77%	0.766	S	S	*	*			trans	34.1	137.4	155.7	-100.4	-69.6	75.9	0	0	127.7
413	S	24.6	Very low	26.5	Very low	78 Å²	78	143.4 Å²	143.4	55%	0.545	77%	0.767	S	S	.	*			trans	91.7	114.1	134.1	78.6	0	0	0	0	124.5
414	S	24.3	Very low	26.6	Very low	105 Å²	105	145.2 Å²	145.2	73%	0.734	77%	0.768	S	S	*	*			trans	71.7	161.2	135.9	93.9	0	0	0	0	119.7
415	T	28.9	Very low	26.7	Very low	117 Å²	117	145.7 Å²	145.7	72%	0.718	77%	0.767	S	S	*	*			cis	-158.8	-178.9	-23.1	20.3	0	0	0	0	109.8
416	Q	26.6	Very low	26.7	Very low	179 Å²	179	142.2 Å²	142.2	84%	0.836	77%	0.769	S	S	*	*			trans	81.2	147.3	165.3	-57.5	-168.3	24.7	0	0	117.5
417	S	25.4	Very low	27.1	Very low	102 Å²	102	146 Å²	146	71%	0.713	78%	0.783	S	S	*	*			cis	-162.1	156.5	-15.4	47.8	0	0	0	0	112.1
418	K	26	Very low	27.4	Very low	217 Å²	217	139.8 Å²	139.8	94%	0.943	78%	0.781	S	S	*	*			trans	-157	158.6	142.4	-126.3	170.2	-175.7	173	0	111.5
419	E	27.5	Very low	27.9	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	79%	0.789	S	S	*	*			trans	-119.8	178.1	-158.2	-167	176	-156.9	0	0	112.1
420	V	26.9	Very low	28.5	Very low	120 Å²	120	139.8 Å²	139.8	73%	0.727	79%	0.791	S	S	*	*			trans	78.8	132.6	174.7	-168.2	0	0	0	0	111.7
421	Q	25.3	Very low	28.8	Very low	182 Å²	182	136.4 Å²	136.4	85%	0.85	78%	0.784	S	S	*	*			cis	-143.5	168	27.9	-148.9	151.4	27.9	0	0	113.2
422	A	34.1	Very low	29.3	Very low	94 Å²	94	137.9 Å²	137.9	78%	0.777	79%	0.786	S	S	*	*			trans	-111.8	140.2	-177.2	0	0	0	0	0	114
423	Y	24.8	Very low	29.6	Very low	228 Å²	228	136.8 Å²	136.8	89%	0.894	79%	0.79	S	S	*	*			trans	-170	155.2	160.7	74.5	-87.2	0	0	0	107.7
424	D	26.7	Very low	30.1	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	80%	0.803	S	S	*	*			cis	-145.8	165.2	-28.2	-171.1	15.9	0	0	0	107.7
425	T	29.2	Very low	30.8	Very low	103 Å²	103	140 Å²	140	63%	0.632	79%	0.791	S	S	*	*			trans	-102.5	114.9	-166.6	-54.1	0	0	0	0	113.6	Q427	T425-Q427 HydrophobicContact CG2-CG 3.83Å; T425-Q427 PolarHBondContact O-N 2.63Å
426	A	28.2	Very low	31.4	Very low	105 Å²	105	141.9 Å²	141.9	87%	0.868	79%	0.79	S	S	*	*			trans	-76	101.5	161.3	0	0	0	0	0	109.7	G428	A426-G428 PolarHBondContact O-N 3.11Å
427	Q	34	Very low	32.4	Very low	184 Å²	184	137.2 Å²	137.2	86%	0.86	77%	0.773	S	S	*	*			trans	-79.5	105.3	-176.9	-67.2	-176.4	-9.2	0	0	111.9	T425	T425-Q427 HydrophobicContact CG2-CG 3.83Å; T425-Q427 PolarHBondContact O-N 2.63Å
428	G	32.9	Very low	33.5	Very low	67 Å²	67	138.5 Å²	138.5	69%	0.691	77%	0.768	S	S	*	*			trans	-100.3	131.4	165.2	0	0	0	0	0	111	A426 L430	A426-G428 PolarHBondContact O-N 3.11Å; G428-L430 PolarHBondContact O-N 3.33Å
429	A	37.1	Very low	34.8	Very low	111 Å²	111	131.1 Å²	131.1	92%	0.917	74%	0.741	S	S	*	*	S	Bend	trans	-85.5	59.6	-166.6	0	0	0	0	0	115.1
430	L	36.8	Very low	36	Very low	165 Å²	165	126.1 Å²	126.1	86%	0.864	73%	0.725	S	S	*	*	S	Bend	trans	-148.7	147.3	154.8	-139.6	88.8	0	0	0	110.5	G428	G428-L430 PolarHBondContact O-N 3.33Å
431	G	35.5	Very low	37.5	Very low	68 Å²	68	128.5 Å²	128.5	70%	0.701	73%	0.726	S	S	*	*			trans	-64.9	134.4	-168.7	0	0	0	0	0	114.6	V433	G431-V433 PolarHBondContact O-N 3.33Å
432	Q	35.5	Very low	39.1	Very low	183 Å²	183	127.5 Å²	127.5	86%	0.855	73%	0.726	S	S	*	*			trans	-69.9	91.8	177.6	-68	-175.1	3.3	0	0	112.3	K434	Q432-K434 PolarHBondContact O-N 2.87Å
433	V	30.9	Very low	41	Very low	134 Å²	134	128.9 Å²	128.9	81%	0.812	72%	0.717	S	S	*	*			trans	-79.2	93	157.8	-174	0	0	0	0	107.4	G431 A435	G431-V433 PolarHBondContact O-N 3.33Å; V433-A435 HydrophobicContact CG1-CB 4.24Å; V433-A435 PolarHBondContact O-N 2.83Å
434	K	35.7	Very low	43.8	Very low	191 Å²	191	119.2 Å²	119.2	83%	0.83	68%	0.682	S	S	*	*			trans	-76.4	49.1	-178	-160.7	175.9	180	177.4	0	112.3	Q432 K436	Q432-K434 PolarHBondContact O-N 2.87Å; K434-K436 PolarHBondContact O-N 2.66Å; K434-K436 VanDerWaalsContact O-N 3.16Å
435	A	38.2	Very low	46.6	Very low	58 Å²	58	112 Å²	112	48%	0.479	64%	0.644	S	S	.	*			trans	-69.3	108.4	173.6	0	0	0	0	0	109	V433 V437	V433-A435 HydrophobicContact CG1-CB 4.24Å; V433-A435 PolarHBondContact O-N 2.83Å; A435-V437 HydrophobicContact CB-CG2 3.81Å; A435-V437 PolarHBondContact O-N 2.75Å
436	K	42.2	Very low	49.3	Very low	157 Å²	157	113.6 Å²	113.6	68%	0.683	64%	0.644	S	S	*	*			trans	-73.6	70.5	169.1	-168.7	-156.5	-178.5	-147.8	0	108.6	K434 E438	K434-K436 PolarHBondContact O-N 2.66Å; K434-K436 VanDerWaalsContact O-N 3.16Å; K436-E438 WeakPolarHBondContact CE-OE1 3.46Å; K436-E438 WeakPolarHBondContact CE-OE2 3.49Å; K436-E438 IonicContact NZ-OE1 3.47Å; K436-E438 PolarHBondContact NZ-OE1 2.94Å; K436-E438 IonicContact NZ-OE2 3.92Å; K436-E438 PolarHBondContact NZ-OE2 2.87Å; K436-E438 PolarHBondContact O-N 2.96Å
437	V	46.5	Very low	52	Low	82 Å²	82	110 Å²	110	50%	0.497	61%	0.61	S	S	.	*			trans	-73.5	77.9	174.5	-172	0	0	0	0	108.2	F334 A435 V439	F334-V437 HydrophobicContact CD1-CB 4.39Å; A435-V437 HydrophobicContact CB-CG2 3.81Å; A435-V437 PolarHBondContact O-N 2.75Å; V437-V439 PolarHBondContact O-N 3.49Å
438	E	49.6	Very low	54.4	Low	128 Å²	128	106.3 Å²	106.3	60%	0.598	59%	0.593	S	S	*	*			trans	-64.4	121.2	151.5	-77.4	167.9	157.5	0	0	106.4	K436 C440	K436-E438 WeakPolarHBondContact CE-OE1 3.46Å; K436-E438 WeakPolarHBondContact CE-OE2 3.49Å; K436-E438 IonicContact NZ-OE1 3.47Å; K436-E438 PolarHBondContact NZ-OE1 2.94Å; K436-E438 IonicContact NZ-OE2 3.92Å; K436-E438 PolarHBondContact NZ-OE2 2.87Å; K436-E438 PolarHBondContact O-N 2.96Å; E438-C440 PolarHBondContact O-N 2.9Å; E438-C440 VanDerWaalsContact O-N 3.15Å
439	V	53.1	Low	57	Low	62 Å²	62	106.8 Å²	106.8	38%	0.376	58%	0.577	S	S	.	*			trans	-62.7	117.4	175.2	176.3	0	0	0	0	107.2	P346 V437 K441	P346-V439 HydrophobicContact CG-CG1 4.12Å; V437-V439 PolarHBondContact O-N 3.49Å; V439-K441 PolarHBondContact O-N 3.13Å
440	C	53.6	Low	59.4	Low	76 Å²	76	101.7 Å²	101.7	51%	0.514	53%	0.534	S	S	.	.			trans	-57.2	113.4	175.9	-60.3	0	0	0	0	108.4	E438 D442 E443	E438-C440 PolarHBondContact O-N 2.9Å; E438-C440 VanDerWaalsContact O-N 3.15Å; C440-D442 PolarHBondContact O-N 3.14Å; C440-E443 PolarHBondContact O-N 3.43Å; C440-E443 VanDerWaalsContact O-N 3.07Å
441	K	57.4	Low	61.7	Low	170 Å²	170	97 Å²	97	74%	0.739	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-57	-35	-178.6	-70.7	-174.4	173.1	-173.2	0	111.4	V439 E443 S444	V439-K441 PolarHBondContact O-N 3.13Å; K441-E443 PolarHBondContact O-N 2.93Å; K441-E443 VanDerWaalsContact O-N 3.15Å; K441-S444 WeakPolarHBondContact O-CB 3.44Å; K441-S444 PolarHBondContact O-N 3.12Å; K441-S444 PolarHBondContact O-OG 3.31Å
442	D	60.1	Low	64.2	Low	160 Å²	160	98.4 Å²	98.4	86%	0.856	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-63.1	-17.9	-178.4	-38.5	-39.9	0	0	0	113.1	C440	C440-D442 PolarHBondContact O-N 3.14Å
443	E	73.5	Confident	66.8	Low	123 Å²	123	91.8 Å²	91.8	58%	0.575	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-105	-3.5	172.6	-64.1	-169	171.6	0	0	113.9	T347 C440 K441	T347-E443 VanDerWaalsContact CB-O 3.26Å; T347-E443 WeakPolarHBondContact CB-O 3.47Å; T347-E443 PolarHBondContact N-O 2.79Å; T347-E443 PolarHBondContact OG1-O 2.85Å; C440-E443 PolarHBondContact O-N 3.43Å; C440-E443 VanDerWaalsContact O-N 3.07Å; K441-E443 PolarHBondContact O-N 2.93Å; K441-E443 VanDerWaalsContact O-N 3.15Å
444	S	83.6	Confident	69.5	Low	25 Å²	25	85.7 Å²	85.7	18%	0.175	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-84.1	156.6	-178.4	70.7	0	0	0	0	112.9	P345 K441	P345-S444 WeakPolarHBondContact O-CA 3.19Å; K441-S444 WeakPolarHBondContact O-CB 3.44Å; K441-S444 PolarHBondContact O-N 3.12Å; K441-S444 PolarHBondContact O-OG 3.31Å
445	V	85.2	Confident	72.1	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	41%	0.411	C	S	.	.			trans	-104.3	119	176	-175	0	0	0	0	107.7	P345 T347 L353 E449 F450	P345-V445 WeakPolarHBondContact CD-O 3.41Å; P345-V445 HydrophobicContact CG-CB 4.25Å; P345-V445 PolarHBondContact O-N 3.27Å; T347-V445 HydrophobicContact CG2-CG2 4.32Å; T347-V445 VanDerWaalsContact OG1-CG2 3.24Å; T347-V445 WeakPolarHBondContact OG1-CG2 3.41Å; L353-V445 HydrophobicContact CD2-CG1 4Å; L353-V445 HydrophobicContact CD2-CG2 3.88Å; V445-E449 HydrophobicContact CG1-CB 4.05Å; V445-E449 HydrophobicContact CG1-CG 4.26Å; V445-E449 WeakPolarHBondContact CG1-OE2 3.49Å; V445-F450 HydrophobicContact CG1-CB 3.84Å
446	E	86.6	Confident	74.5	Confident	137 Å²	137	86.7 Å²	86.7	64%	0.64	42%	0.422	S	S	*	.			trans	-59.9	145	176.6	-64.3	-169.5	148.3	0	0	111.2	E448 E449 F450	E446-E448 PolarHBondContact O-N 3.42Å; E446-E448 VanDerWaalsContact O-N 3.09Å; E446-E449 PolarHBondContact O-N 3.43Å; E446-F450 PolarHBondContact O-N 3.12Å
447	L	84.2	Confident	76.6	Confident	28 Å²	28	82.5 Å²	82.5	15%	0.147	41%	0.411	C	S	.	.	H	α-helix	trans	-50.3	-37.8	-177.8	180	63.1	0	0	0	113.9	N313 D344 R451	N313-L447 HydrophobicContact CB-CD1 4.3Å; N313-L447 HydrophobicContact CB-CD2 4.27Å; D344-L447 PolarHBondContact OD1-N 2.64Å; L447-R451 WeakPolarHBondContact O-CG 2.93Å; L447-R451 PolarHBondContact O-N 3.14Å
448	E	84.8	Confident	78.7	Confident	107 Å²	107	82.9 Å²	82.9	50%	0.5	41%	0.406	S	S	.	.	H	α-helix	trans	-73.1	-41.6	178.7	-79.2	55.3	-127.9	0	0	112.7	E446 F450 R451 L452	E446-E448 PolarHBondContact O-N 3.42Å; E446-E448 VanDerWaalsContact O-N 3.09Å; E448-F450 VanDerWaalsContact C-N 3.33Å; E448-R451 PolarHBondContact O-N 3.46Å; E448-R451 IonicContact OE1-CZ 3.33Å; E448-R451 IonicContact OE1-NH1 2.67Å; E448-R451 PolarHBondContact OE1-NH1 3.04Å; E448-L452 WeakPolarHBondContact O-CG 3.48Å; E448-L452 PolarHBondContact O-N 3.24Å; E448-L452 VanDerWaalsContact O-N 3.09Å
449	E	86.8	Confident	80.5	Confident	78 Å²	78	79.9 Å²	79.9	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-42.1	171.6	-168.7	-165.3	-176.9	0	0	110.6	K357 V445 E446 R451 L452 Y453	K357-E449 WeakPolarHBondContact CE-OE1 3.4Å; K357-E449 VanDerWaalsContact NZ-CD 3.26Å; K357-E449 IonicContact NZ-OE1 2.69Å; K357-E449 PolarHBondContact NZ-OE1 2.77Å; K357-E449 IonicContact NZ-OE2 2.65Å; K357-E449 PolarHBondContact NZ-OE2 3.08Å; V445-E449 HydrophobicContact CG1-CB 4.05Å; V445-E449 HydrophobicContact CG1-CG 4.26Å; V445-E449 WeakPolarHBondContact CG1-OE2 3.49Å; E446-E449 PolarHBondContact O-N 3.43Å; E449-R451 VanDerWaalsContact C-N 3.34Å; E449-R451 PolarHBondContact O-N 3.03Å; E449-L452 CarbonylContact O-C 3.57Å; E449-L452 PolarHBondContact O-N 3.41Å; E449-L452 VanDerWaalsContact O-N 3.17Å; E449-Y453 PolarHBondContact O-N 2.89Å
450	F	87.3	Confident	82.2	Confident	4 Å²	4	79.2 Å²	79.2	2%	0.018	39%	0.387	C	S	.	.	H	α-helix	trans	-61.7	-40.5	178.4	-174.9	-148.7	0	0	0	111.6	H312 S314 W329 P345 I350 V445 E446 E448 Y453 L454	H312-F450 AromaticContact ND1-CE1 3.88Å; S314-F450 VanDerWaalsContact OG-CE1 3.32Å; S314-F450 WeakPolarHBondContact OG-CE1 3.21Å; W329-F450 HydrophobicContact CH2-CE1 4.16Å; W329-F450 HydrophobicContact CZ2-CE1 4.07Å; W329-F450 HydrophobicContact CZ2-CZ 4.32Å; P345-F450 HydrophobicContact CG-CD1 3.72Å; P345-F450 HydrophobicContact CG-CE1 3.88Å; P345-F450 HydrophobicContact CG-CG 4.08Å; P345-F450 HydrophobicContact CG-CZ 4.37Å; I350-F450 HydrophobicContact CD1-CD2 3.8Å; I350-F450 HydrophobicContact CD1-CE2 3.35Å; I350-F450 HydrophobicContact CD1-CZ 3.93Å; I350-F450 HydrophobicContact CG1-CE2 4.25Å; V445-F450 HydrophobicContact CG1-CB 3.84Å; E446-F450 PolarHBondContact O-N 3.12Å; E448-F450 VanDerWaalsContact C-N 3.33Å; F450-Y453 PolarHBondContact O-N 2.92Å; F450-L454 HydrophobicContact CD1-CD1 4.06Å; F450-L454 HydrophobicContact CD2-CD1 3.72Å; F450-L454 HydrophobicContact CD2-CD2 4.45Å; F450-L454 HydrophobicContact CD2-CG 3.85Å; F450-L454 HydrophobicContact CE1-CD1 3.94Å; F450-L454 HydrophobicContact CE2-CD1 3.56Å; F450-L454 HydrophobicContact CE2-CD2 3.83Å; F450-L454 HydrophobicContact CE2-CG 3.7Å; F450-L454 HydrophobicContact CG-CD1 3.98Å; F450-L454 HydrophobicContact CZ-CD1 3.68Å; F450-L454 HydrophobicContact CZ-CD2 4.33Å; F450-L454 HydrophobicContact CZ-CG 4.28Å; F450-L454 WeakPolarHBondContact O-CB 3.35Å; F450-L454 WeakPolarHBondContact O-CD1 3.37Å; F450-L454 WeakPolarHBondContact O-CG 3.42Å; F450-L454 PolarHBondContact O-N 2.86Å
451	R	86.3	Confident	83.8	Confident	66 Å²	66	79.3 Å²	79.3	25%	0.249	38%	0.38	C	S	.	.	H	α-helix	trans	-62.2	-47.2	171.5	-74	-166.5	-164.4	100.5	2.9	112.2	N313 L447 E448 E449 Y453 L454 E455	N313-R451 PolarHBondContact O-NE 2.9Å; N313-R451 PolarHBondContact O-NH2 2.9Å; L447-R451 WeakPolarHBondContact O-CG 2.93Å; L447-R451 PolarHBondContact O-N 3.14Å; E448-R451 PolarHBondContact O-N 3.46Å; E448-R451 IonicContact OE1-CZ 3.33Å; E448-R451 IonicContact OE1-NH1 2.67Å; E448-R451 PolarHBondContact OE1-NH1 3.04Å; E449-R451 VanDerWaalsContact C-N 3.34Å; E449-R451 PolarHBondContact O-N 3.03Å; R451-Y453 PolarHBondContact O-N 3.43Å; R451-L454 PolarHBondContact O-N 2.93Å; R451-E455 WeakPolarHBondContact O-CB 3.29Å; R451-E455 WeakPolarHBondContact O-CG 3.23Å; R451-E455 PolarHBondContact O-N 2.87Å
452	L	87.8	Confident	85	Confident	98 Å²	98	78.1 Å²	78.1	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-64.6	-19.4	178.6	-70.6	173.5	0	0	0	114	E448 E449 K456	E448-L452 WeakPolarHBondContact O-CG 3.48Å; E448-L452 PolarHBondContact O-N 3.24Å; E448-L452 VanDerWaalsContact O-N 3.09Å; E449-L452 CarbonylContact O-C 3.57Å; E449-L452 PolarHBondContact O-N 3.41Å; E449-L452 VanDerWaalsContact O-N 3.17Å; L452-K456 VanDerWaalsContact O-CD 3.29Å; L452-K456 WeakPolarHBondContact O-CD 3.32Å; L452-K456 WeakPolarHBondContact O-CE 3.3Å; L452-K456 PolarHBondContact O-NZ 2.86Å
453	Y	89.1	Confident	85.9	Confident	43 Å²	43	73.7 Å²	73.7	17%	0.169	36%	0.355	C	S	.	.	H	α-helix	trans	-78.3	-52	165.8	173	-108.9	0	0	0	111.2	I350 C352 L353 E449 F450 R451 E455 K456	I350-Y453 HydrophobicContact CG2-CE1 3.9Å; C352-Y453 PolarHBondContact SG-OH 2.98Å; L353-Y453 HydrophobicContact CB-CD1 4.29Å; L353-Y453 HydrophobicContact CB-CD2 4.44Å; L353-Y453 HydrophobicContact CB-CE1 4.1Å; L353-Y453 HydrophobicContact CB-CE2 4.26Å; L353-Y453 HydrophobicContact CB-CG 4.47Å; L353-Y453 HydrophobicContact CD1-CD2 3.82Å; L353-Y453 HydrophobicContact CD1-CE2 4.32Å; L353-Y453 HydrophobicContact CD1-CG 3.98Å; L353-Y453 HydrophobicContact CD2-CD1 4.11Å; L353-Y453 HydrophobicContact CD2-CG 4.15Å; L353-Y453 HydrophobicContact CG-CG 4.43Å; E449-Y453 PolarHBondContact O-N 2.89Å; F450-Y453 PolarHBondContact O-N 2.92Å; R451-Y453 PolarHBondContact O-N 3.43Å; Y453-E455 PolarHBondContact O-N 2.85Å; Y453-K456 WeakPolarHBondContact O-CB 3.35Å; Y453-K456 PolarHBondContact O-N 3.15Å; Y453-K456 VanDerWaalsContact O-N 3.14Å
454	L	88.8	Confident	86.1	Confident	7 Å²	7	72 Å²	72	4%	0.037	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-38.1	-175.5	-69.9	167	0	0	0	113.7	I316 F450 R451 K456 C457 F458 F460	I316-L454 HydrophobicContact CD1-CD2 4.2Å; I316-L454 HydrophobicContact CG1-CD1 3.56Å; I316-L454 HydrophobicContact CG1-CD2 3.84Å; I316-L454 HydrophobicContact CG1-CG 4.21Å; F450-L454 HydrophobicContact CD1-CD1 4.06Å; F450-L454 HydrophobicContact CD2-CD1 3.72Å; F450-L454 HydrophobicContact CD2-CD2 4.45Å; F450-L454 HydrophobicContact CD2-CG 3.85Å; F450-L454 HydrophobicContact CE1-CD1 3.94Å; F450-L454 HydrophobicContact CE2-CD1 3.56Å; F450-L454 HydrophobicContact CE2-CD2 3.83Å; F450-L454 HydrophobicContact CE2-CG 3.7Å; F450-L454 HydrophobicContact CG-CD1 3.98Å; F450-L454 HydrophobicContact CZ-CD1 3.68Å; F450-L454 HydrophobicContact CZ-CD2 4.33Å; F450-L454 HydrophobicContact CZ-CG 4.28Å; F450-L454 WeakPolarHBondContact O-CB 3.35Å; F450-L454 WeakPolarHBondContact O-CD1 3.37Å; F450-L454 WeakPolarHBondContact O-CG 3.42Å; F450-L454 PolarHBondContact O-N 2.86Å; R451-L454 PolarHBondContact O-N 2.93Å; L454-K456 PolarHBondContact O-N 3.15Å; L454-K456 VanDerWaalsContact O-N 3.13Å; L454-C457 CarbonylContact O-C 3.56Å; L454-C457 PolarHBondContact O-N 3.13Å; L454-F458 HydrophobicContact CB-CD2 4.31Å; L454-F458 HydrophobicContact CD2-CD2 3.72Å; L454-F458 HydrophobicContact CD2-CE2 3.61Å; L454-F458 PolarHBondContact O-N 3.33Å; L454-F460 HydrophobicContact CB-CE2 4.09Å; L454-F460 HydrophobicContact CB-CZ 3.93Å
455	E	88.8	Confident	85.6	Confident	109 Å²	109	72.2 Å²	72.2	51%	0.509	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.8	177.1	-72.7	173.3	177.5	0	0	113.2	R451 Y453 F460	R451-E455 WeakPolarHBondContact O-CB 3.29Å; R451-E455 WeakPolarHBondContact O-CG 3.23Å; R451-E455 PolarHBondContact O-N 2.87Å; Y453-E455 PolarHBondContact O-N 2.85Å; E455-F460 HydrophobicContact CG-CD2 4.09Å; E455-F460 HydrophobicContact CG-CE2 4.06Å
456	K	89.6	Confident	85.2	Confident	161 Å²	161	76.5 Å²	76.5	70%	0.7	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-6.3	172.8	-63.3	167.2	-173.9	139.6	0	112.9	L452 Y453 L454	L452-K456 VanDerWaalsContact O-CD 3.29Å; L452-K456 WeakPolarHBondContact O-CD 3.32Å; L452-K456 WeakPolarHBondContact O-CE 3.3Å; L452-K456 PolarHBondContact O-NZ 2.86Å; Y453-K456 WeakPolarHBondContact O-CB 3.35Å; Y453-K456 PolarHBondContact O-N 3.15Å; Y453-K456 VanDerWaalsContact O-N 3.14Å; L454-K456 PolarHBondContact O-N 3.15Å; L454-K456 VanDerWaalsContact O-N 3.13Å
457	C	86.4	Confident	84.3	Confident	68 Å²	68	76.1 Å²	76.1	46%	0.459	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-20	-177.1	-63.1	0	0	0	0	113.6	L454	L454-C457 CarbonylContact O-C 3.56Å; L454-C457 PolarHBondContact O-N 3.13Å
458	F	89.4	Confident	83.7	Confident	90 Å²	90	76.2 Å²	76.2	40%	0.395	37%	0.368	S	S	.	.			trans	-140.4	141.1	-169.8	-61.8	-75.6	0	0	0	113.2	L292 I316 L454 F460	L292-F458 HydrophobicContact CD1-CB 3.72Å; L292-F458 HydrophobicContact CD1-CD1 3.78Å; L292-F458 HydrophobicContact CD1-CG 3.99Å; I316-F458 HydrophobicContact CD1-CB 4.44Å; I316-F458 HydrophobicContact CD1-CD2 3.96Å; I316-F458 HydrophobicContact CD1-CE2 4.37Å; I316-F458 HydrophobicContact CD1-CG 4.08Å; L454-F458 HydrophobicContact CB-CD2 4.31Å; L454-F458 HydrophobicContact CD2-CD2 3.72Å; L454-F458 HydrophobicContact CD2-CE2 3.61Å; L454-F458 PolarHBondContact O-N 3.33Å; F458-F460 HydrophobicContact CB-CE2 3.95Å; F458-F460 HydrophobicContact CB-CZ 4.24Å; F458-F460 WeakPolarHBondContact O-CD2 3.14Å
459	D	88	Confident	83	Confident	65 Å²	65	81 Å²	81	35%	0.348	38%	0.381	S	S	.	.			trans	-73.6	133.3	166	-69.2	5.4	0	0	0	110	K293 R295	K293-D459 HydrophobicContact CB-CB 3.87Å; K293-D459 WeakPolarHBondContact CB-O 3.37Å; K293-D459 HydrophobicContact CD-CB 3.92Å; K293-D459 PolarHBondContact N-O 2.79Å; R295-D459 IonicContact CZ-OD2 3.79Å; R295-D459 IonicContact NE-OD2 3.83Å; R295-D459 PolarHBondContact NE-OD2 3.02Å; R295-D459 IonicContact NH2-OD1 3.02Å; R295-D459 PolarHBondContact NH2-OD1 2.99Å; R295-D459 IonicContact NH2-OD2 4Å; R295-D459 PolarHBondContact NH2-OD2 3.28Å
460	F	88.3	Confident	82.2	Confident	49 Å²	49	80.3 Å²	80.3	22%	0.215	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.8	171.7	-69.2	-85.1	0	0	0	112	T290 V291 S314 I316 L454 E455 F458	T290-F460 HydrophobicContact CG2-CB 3.59Å; T290-F460 HydrophobicContact CG2-CD1 3.73Å; T290-F460 HydrophobicContact CG2-CG 3.82Å; V291-F460 WeakPolarHBondContact O-CA 3.45Å; S314-F460 WeakPolarHBondContact O-CE1 3.47Å; I316-F460 HydrophobicContact CD1-CE1 3.78Å; I316-F460 HydrophobicContact CD1-CZ 3.63Å; I316-F460 HydrophobicContact CG1-CE1 4.18Å; I316-F460 HydrophobicContact CG1-CZ 4.04Å; L454-F460 HydrophobicContact CB-CE2 4.09Å; L454-F460 HydrophobicContact CB-CZ 3.93Å; E455-F460 HydrophobicContact CG-CD2 4.09Å; E455-F460 HydrophobicContact CG-CE2 4.06Å; F458-F460 HydrophobicContact CB-CE2 3.95Å; F458-F460 HydrophobicContact CB-CZ 4.24Å; F458-F460 WeakPolarHBondContact O-CD2 3.14Å
461	E	87.1	Confident	80.7	Confident	78 Å²	78	85.3 Å²	85.3	36%	0.364	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.8	171.6	63.9	-168	165.5	0	0	111.4	T290 V291 K293 V463	T290-E461 WeakPolarHBondContact CA-O 3.38Å; V291-E461 HydrophobicContact CG2-CG 3.71Å; V291-E461 PolarHBondContact N-O 3.43Å; V291-E461 PolarHBondContact O-N 3.4Å; K293-E461 HydrophobicContact CB-CB 4.49Å; K293-E461 HydrophobicContact CB-CG 4.33Å; E461-V463 HydrophobicContact CG-CG2 4.39Å
462	Q	84	Confident	79.7	Confident	145 Å²	145	85.4 Å²	85.4	68%	0.678	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	109.5	-177.4	-72.3	-172.3	29.8	0	0	110.1	I288	I288-Q462 HydrophobicContact CG2-CB 3.74Å; I288-Q462 HydrophobicContact CG2-CG 4.06Å
463	V	79.4	Confident	78.9	Confident	66 Å²	66	83.6 Å²	83.6	40%	0.4	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.8	-177.9	178.3	0	0	0	0	110.5	K289 V291 E461 V465	K289-V463 PolarHBondContact N-O 2.92Å; K289-V463 PolarHBondContact O-N 3.4Å; V291-V463 HydrophobicContact CG2-CB 4.46Å; V291-V463 HydrophobicContact CG2-CG2 3.66Å; E461-V463 HydrophobicContact CG-CG2 4.39Å; V463-V465 HydrophobicContact CG1-CG2 4.14Å; V463-V465 PolarHBondContact O-N 2.79Å; V463-V465 VanDerWaalsContact O-N 3.08Å
464	T	76.6	Confident	77.9	Confident	87 Å²	87	82.6 Å²	82.6	53%	0.534	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	86.2	178.1	-56.6	0	0	0	0	110.9	T286	T286-T464 HydrophobicContact CG2-CG2 3.87Å
465	V	74.1	Confident	77	Confident	31 Å²	31	89.1 Å²	89.1	19%	0.188	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.7	179.5	172.3	0	0	0	0	110.7	E238 K287 K289 V463 K467	E238-V465 WeakPolarHBondContact OE1-CG1 3.39Å; K287-V465 PolarHBondContact N-O 3.35Å; K287-V465 PolarHBondContact O-N 2.88Å; K289-V465 HydrophobicContact CB-CG2 4.14Å; K289-V465 HydrophobicContact CD-CG2 4.04Å; K289-V465 HydrophobicContact CG-CB 4.4Å; K289-V465 HydrophobicContact CG-CG2 4.01Å; V463-V465 HydrophobicContact CG1-CG2 4.14Å; V463-V465 PolarHBondContact O-N 2.79Å; V463-V465 VanDerWaalsContact O-N 3.08Å; V465-K467 PolarHBondContact O-N 3.32Å
466	K	75.6	Confident	76.3	Confident	89 Å²	89	88.4 Å²	88.4	39%	0.387	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	97.2	-174.9	-74.3	179	171.5	-174.3	0	110.3	E238 M284 F468	E238-K466 PolarHBondContact OE1-N 3.18Å; E238-K466 VanDerWaalsContact OE1-N 3.12Å; M284-K466 HydrophobicContact CE-CB 4.4Å; M284-K466 HydrophobicContact CE-CD 3.86Å; M284-K466 HydrophobicContact CE-CG 3.82Å; M284-K466 HydrophobicContact CG-CB 4.29Å; M284-K466 HydrophobicContact SD-CB 3.78Å; M284-K466 HydrophobicContact SD-CD 3.64Å; M284-K466 HydrophobicContact SD-CG 3.75Å; K466-F468 HydrophobicContact CB-CE2 3.92Å; K466-F468 HydrophobicContact CB-CZ 4.35Å; K466-F468 WeakPolarHBondContact O-CD2 3.47Å; K466-F468 VanDerWaalsContact O-CE2 3.22Å; K466-F468 WeakPolarHBondContact O-CE2 3.47Å; K466-F468 PolarHBondContact O-N 2.79Å
467	K	68.4	Low	75.6	Confident	130 Å²	130	84 Å²	84	57%	0.565	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.4	179.4	-169.5	167.5	-174.1	175	0	111.8	V285 V465	V285-K467 PolarHBondContact N-O 2.68Å; V285-K467 WeakPolarHBondContact O-CA 3.32Å; V285-K467 WeakPolarHBondContact O-CB 3.46Å; V285-K467 PolarHBondContact O-N 2.98Å; V465-K467 PolarHBondContact O-N 3.32Å
468	F	71.6	Confident	75	Confident	29 Å²	29	84.6 Å²	84.6	13%	0.127	40%	0.401	C	S	.	.			trans	-88.9	154.8	168.7	-59	-92	0	0	0	110	M284 K466 E473 R474 F477	M284-F468 HydrophobicContact CB-CE1 4.5Å; M284-F468 HydrophobicContact CG-CD1 4.27Å; M284-F468 HydrophobicContact CG-CE1 3.88Å; M284-F468 HydrophobicContact CG-CE2 4.47Å; M284-F468 HydrophobicContact CG-CZ 3.98Å; M284-F468 HydrophobicContact SD-CE1 4.05Å; M284-F468 HydrophobicContact SD-CE2 4.5Å; M284-F468 HydrophobicContact SD-CZ 3.77Å; K466-F468 HydrophobicContact CB-CE2 3.92Å; K466-F468 HydrophobicContact CB-CZ 4.35Å; K466-F468 WeakPolarHBondContact O-CD2 3.47Å; K466-F468 VanDerWaalsContact O-CE2 3.22Å; K466-F468 WeakPolarHBondContact O-CE2 3.47Å; K466-F468 PolarHBondContact O-N 2.79Å; F468-E473 HydrophobicContact CB-CB 4.33Å; F468-E473 HydrophobicContact CD1-CB 4.12Å; F468-R474 HydrophobicContact CB-CB 3.97Å; F468-R474 HydrophobicContact CD1-CB 4.2Å; F468-R474 HydrophobicContact CD2-CB 3.72Å; F468-R474 HydrophobicContact CD2-CG 3.48Å; F468-R474 VanDerWaalsContact CD2-CG 3.48Å; F468-R474 HydrophobicContact CE2-CB 4.31Å; F468-R474 HydrophobicContact CE2-CG 3.73Å; F468-R474 HydrophobicContact CG-CB 3.67Å; F468-R474 HydrophobicContact CG-CG 3.99Å; F468-R474 HydrophobicContact CZ-CG 4.42Å; F468-F477 HydrophobicContact CD1-CB 4.48Å; F468-F477 HydrophobicContact CE1-CB 3.55Å; F468-F477 HydrophobicContact CE1-CD1 4.07Å; F468-F477 HydrophobicContact CE1-CD2 4.13Å; F468-F477 AromaticContact CE1-CG 3.64Å; F468-F477 HydrophobicContact CE1-CG 3.64Å; F468-F477 HydrophobicContact CZ-CB 3.93Å; F468-F477 AromaticContact CZ-CD1 3.59Å; F468-F477 HydrophobicContact CZ-CD1 3.59Å; F468-F477 HydrophobicContact CZ-CD2 4.33Å; F468-F477 HydrophobicContact CZ-CE1 4.21Å; F468-F477 AromaticContact CZ-CG 3.67Å; F468-F477 HydrophobicContact CZ-CG 3.67Å
469	R	69.7	Low	74.3	Confident	207 Å²	207	87.7 Å²	87.7	78%	0.781	41%	0.41	S	S	*	.	S	Bend	trans	-81.1	-34	178.2	-125.3	-176.3	76.9	109.3	0.9	111.4	E473	R469-E473 WeakPolarHBondContact CA-OE2 3.4Å; R469-E473 VanDerWaalsContact CB-OE2 3.23Å; R469-E473 WeakPolarHBondContact CB-OE2 3.47Å; R469-E473 PolarHBondContact N-OE2 3Å
470	T	70.4	Confident	73.8	Confident	64 Å²	64	86.8 Å²	86.8	39%	0.393	41%	0.405	S	S	.	.	S	Bend	trans	-132.3	159.4	174.5	68.9	0	0	0	0	113.1	A472 E473 R474	T470-A472 PolarHBondContact O-N 2.8Å; T470-E473 VanDerWaalsContact CB-OE1 3.3Å; T470-E473 WeakPolarHBondContact CB-OE1 3.15Å; T470-E473 VanDerWaalsContact CG2-OE1 3.28Å; T470-E473 WeakPolarHBondContact CG2-OE1 3.5Å; T470-E473 VanDerWaalsContact N-CD 3.29Å; T470-E473 PolarHBondContact N-OE1 3.08Å; T470-E473 VanDerWaalsContact N-OE1 3.11Å; T470-E473 PolarHBondContact N-OE2 3.04Å; T470-E473 PolarHBondContact O-N 3.27Å; T470-E473 WeakPolarHBondContact OG1-CG 3.22Å; T470-E473 PolarHBondContact OG1-N 2.82Å; T470-E473 PolarHBondContact OG1-OE1 3.03Å; T470-R474 PolarHBondContact O-N 3.01Å
471	W	56.4	Low	73.2	Confident	110 Å²	110	88.8 Å²	88.8	42%	0.417	42%	0.416	S	S	.	.	H	α-helix	trans	-66.9	-27	174.5	-169.5	-148.3	0	0	0	112.7	R474 R475	W471-R474 HydrophobicContact CE3-CB 4.13Å; W471-R474 HydrophobicContact CE3-CG 4.41Å; W471-R474 HydrophobicContact CZ3-CG 4.34Å; W471-R474 PolarHBondContact O-N 3.08Å; W471-R475 VanDerWaalsContact NE1-NH2 3.16Å; W471-R475 WeakPolarHBondContact O-CB 3.48Å; W471-R475 WeakPolarHBondContact O-CG 3.26Å; W471-R475 PolarHBondContact O-N 3.26Å
472	A	64.2	Low	72.4	Confident	67 Å²	67	92.5 Å²	92.5	55%	0.554	43%	0.431	S	S	*	.	H	α-helix	trans	-65.1	-48.2	174.3	0	0	0	0	0	111.5	T470 R474 R475 Q476	T470-A472 PolarHBondContact O-N 2.8Å; A472-R474 VanDerWaalsContact C-N 3.34Å; A472-R474 PolarHBondContact O-N 2.89Å; A472-R475 PolarHBondContact O-N 2.98Å; A472-Q476 WeakPolarHBondContact O-CB 3.4Å; A472-Q476 PolarHBondContact O-N 3.45Å
473	E	71.3	Confident	71.8	Confident	60 Å²	60	90.8 Å²	90.8	28%	0.28	42%	0.419	S	S	.	.	H	α-helix	trans	-55.7	-47.4	174	-68.1	146.9	-134.2	0	0	111.4	F468 R469 T470 R475 Q476 F477	F468-E473 HydrophobicContact CB-CB 4.33Å; F468-E473 HydrophobicContact CD1-CB 4.12Å; R469-E473 WeakPolarHBondContact CA-OE2 3.4Å; R469-E473 VanDerWaalsContact CB-OE2 3.23Å; R469-E473 WeakPolarHBondContact CB-OE2 3.47Å; R469-E473 PolarHBondContact N-OE2 3Å; T470-E473 VanDerWaalsContact CB-OE1 3.3Å; T470-E473 WeakPolarHBondContact CB-OE1 3.15Å; T470-E473 VanDerWaalsContact CG2-OE1 3.28Å; T470-E473 WeakPolarHBondContact CG2-OE1 3.5Å; T470-E473 VanDerWaalsContact N-CD 3.29Å; T470-E473 PolarHBondContact N-OE1 3.08Å; T470-E473 VanDerWaalsContact N-OE1 3.11Å; T470-E473 PolarHBondContact N-OE2 3.04Å; T470-E473 PolarHBondContact O-N 3.27Å; T470-E473 WeakPolarHBondContact OG1-CG 3.22Å; T470-E473 PolarHBondContact OG1-N 2.82Å; T470-E473 PolarHBondContact OG1-OE1 3.03Å; E473-R475 PolarHBondContact O-N 2.85Å; E473-Q476 CarbonylContact O-C 3.47Å; E473-Q476 WeakPolarHBondContact O-CB 3.42Å; E473-Q476 PolarHBondContact O-N 2.83Å; E473-Q476 VanDerWaalsContact O-N 3.12Å; E473-F477 WeakPolarHBondContact O-CB 3.42Å; E473-F477 PolarHBondContact O-N 2.86Å
474	R	68	Low	71.5	Confident	22 Å²	22	94.3 Å²	94.3	8%	0.083	43%	0.429	C	S	.	.	H	α-helix	trans	-64.2	-38.2	-179.3	-166.7	165.2	-175.5	-139.7	-7.4	112.6	E238 N242 F468 T470 W471 A472 N478	E238-R474 VanDerWaalsContact C-NH2 3.27Å; E238-R474 VanDerWaalsContact CB-NH2 3.32Å; E238-R474 VanDerWaalsContact CD-NH2 3.31Å; E238-R474 PolarHBondContact O-NH1 2.72Å; E238-R474 PolarHBondContact O-NH2 3.17Å; E238-R474 IonicContact OE2-CZ 3.62Å; E238-R474 IonicContact OE2-NE 3.42Å; E238-R474 IonicContact OE2-NH2 3.91Å; E238-R474 PolarHBondContact OE2-NH2 3.29Å; N242-R474 PolarHBondContact ND2-NH1 3.32Å; F468-R474 HydrophobicContact CB-CB 3.97Å; F468-R474 HydrophobicContact CD1-CB 4.2Å; F468-R474 HydrophobicContact CD2-CB 3.72Å; F468-R474 HydrophobicContact CD2-CG 3.48Å; F468-R474 VanDerWaalsContact CD2-CG 3.48Å; F468-R474 HydrophobicContact CE2-CB 4.31Å; F468-R474 HydrophobicContact CE2-CG 3.73Å; F468-R474 HydrophobicContact CG-CB 3.67Å; F468-R474 HydrophobicContact CG-CG 3.99Å; F468-R474 HydrophobicContact CZ-CG 4.42Å; T470-R474 PolarHBondContact O-N 3.01Å; W471-R474 HydrophobicContact CE3-CB 4.13Å; W471-R474 HydrophobicContact CE3-CG 4.41Å; W471-R474 HydrophobicContact CZ3-CG 4.34Å; W471-R474 PolarHBondContact O-N 3.08Å; A472-R474 VanDerWaalsContact C-N 3.34Å; A472-R474 PolarHBondContact O-N 2.89Å; R474-N478 WeakPolarHBondContact O-CB 3.44Å; R474-N478 PolarHBondContact O-N 3.09Å; R474-N478 PolarHBondContact O-ND2 3.49Å; R474-N478 VanDerWaalsContact O-ND2 3.14Å
475	R	68.8	Low	71	Confident	144 Å²	144	95.1 Å²	95.1	54%	0.543	43%	0.426	S	S	.	.	H	α-helix	trans	-72.6	-27.1	173.2	-75.3	178	172.3	171.6	-5.1	113	W471 A472 E473 R479	W471-R475 VanDerWaalsContact NE1-NH2 3.16Å; W471-R475 WeakPolarHBondContact O-CB 3.48Å; W471-R475 WeakPolarHBondContact O-CG 3.26Å; W471-R475 PolarHBondContact O-N 3.26Å; A472-R475 PolarHBondContact O-N 2.98Å; E473-R475 PolarHBondContact O-N 2.85Å; R475-R479 WeakPolarHBondContact O-CB 3.48Å; R475-R479 VanDerWaalsContact O-CG 3.26Å; R475-R479 WeakPolarHBondContact O-CG 3.4Å; R475-R479 PolarHBondContact O-N 3.38Å; R475-R479 PolarHBondContact O-NE 3.15Å
476	Q	75.2	Confident	70.3	Confident	95 Å²	95	96 Å²	96	44%	0.444	44%	0.436	S	S	.	.	H	α-helix	trans	-72.3	-52.5	170.4	-176.7	166.7	-20.3	0	0	110.5	A472 E473 N478 R479 D480	A472-Q476 WeakPolarHBondContact O-CB 3.4Å; A472-Q476 PolarHBondContact O-N 3.45Å; E473-Q476 CarbonylContact O-C 3.47Å; E473-Q476 WeakPolarHBondContact O-CB 3.42Å; E473-Q476 PolarHBondContact O-N 2.83Å; E473-Q476 VanDerWaalsContact O-N 3.12Å; Q476-N478 VanDerWaalsContact C-N 3.32Å; Q476-N478 PolarHBondContact O-N 2.97Å; Q476-R479 CarbonylContact O-C 3.55Å; Q476-R479 WeakPolarHBondContact O-CA 3.4Å; Q476-R479 PolarHBondContact O-N 3.02Å; Q476-D480 WeakPolarHBondContact O-CB 3.5Å; Q476-D480 VanDerWaalsContact O-CG 3.25Å; Q476-D480 PolarHBondContact O-N 3.04Å
477	F	73.8	Confident	69.5	Low	67 Å²	67	95.3 Å²	95.3	29%	0.294	44%	0.435	S	S	.	.	H	α-helix	trans	-53.2	-45.1	176.7	-178.1	-92.5	0	0	0	112.7	F468 E473 D480 M481	F468-F477 HydrophobicContact CD1-CB 4.48Å; F468-F477 HydrophobicContact CE1-CB 3.55Å; F468-F477 HydrophobicContact CE1-CD1 4.07Å; F468-F477 HydrophobicContact CE1-CD2 4.13Å; F468-F477 AromaticContact CE1-CG 3.64Å; F468-F477 HydrophobicContact CE1-CG 3.64Å; F468-F477 HydrophobicContact CZ-CB 3.93Å; F468-F477 AromaticContact CZ-CD1 3.59Å; F468-F477 HydrophobicContact CZ-CD1 3.59Å; F468-F477 HydrophobicContact CZ-CD2 4.33Å; F468-F477 HydrophobicContact CZ-CE1 4.21Å; F468-F477 AromaticContact CZ-CG 3.67Å; F468-F477 HydrophobicContact CZ-CG 3.67Å; E473-F477 WeakPolarHBondContact O-CB 3.42Å; E473-F477 PolarHBondContact O-N 2.86Å; F477-D480 PolarHBondContact O-N 3.01Å; F477-M481 HydrophobicContact CD1-CG 4.09Å; F477-M481 HydrophobicContact CE1-CG 3.57Å; F477-M481 HydrophobicContact CE2-CG 4.26Å; F477-M481 HydrophobicContact CZ-CG 3.65Å; F477-M481 HydrophobicContact CZ-SD 4.09Å; F477-M481 WeakPolarHBondContact O-CB 3.4Å; F477-M481 WeakPolarHBondContact O-CG 3.45Å; F477-M481 PolarHBondContact O-N 2.9Å
478	N	74.6	Confident	68.8	Low	81 Å²	81	93.7 Å²	93.7	43%	0.433	44%	0.44	S	S	.	.	H	α-helix	trans	-68.5	-33.2	177.2	-82	-48.1	0	0	0	113.8	R474 Q476 K482	R474-N478 WeakPolarHBondContact O-CB 3.44Å; R474-N478 PolarHBondContact O-N 3.09Å; R474-N478 PolarHBondContact O-ND2 3.49Å; R474-N478 VanDerWaalsContact O-ND2 3.14Å; Q476-N478 VanDerWaalsContact C-N 3.32Å; Q476-N478 PolarHBondContact O-N 2.97Å; N478-K482 WeakPolarHBondContact O-CB 3.46Å; N478-K482 WeakPolarHBondContact O-CG 3.45Å; N478-K482 PolarHBondContact O-N 2.9Å; N478-K482 VanDerWaalsContact O-N 3.08Å
479	R	75.4	Confident	68	Low	156 Å²	156	98.1 Å²	98.1	59%	0.589	46%	0.461	S	S	*	.	H	α-helix	trans	-70.4	-35.9	171.1	-76.1	178.9	-63.4	153.7	3.9	111.7	R475 Q476 R483	R475-R479 WeakPolarHBondContact O-CB 3.48Å; R475-R479 VanDerWaalsContact O-CG 3.26Å; R475-R479 WeakPolarHBondContact O-CG 3.4Å; R475-R479 PolarHBondContact O-N 3.38Å; R475-R479 PolarHBondContact O-NE 3.15Å; Q476-R479 CarbonylContact O-C 3.55Å; Q476-R479 WeakPolarHBondContact O-CA 3.4Å; Q476-R479 PolarHBondContact O-N 3.02Å; R479-R483 WeakPolarHBondContact O-CB 3.23Å; R479-R483 PolarHBondContact O-N 3.17Å
480	D	76.3	Confident	67.1	Low	45 Å²	45	95.6 Å²	95.6	24%	0.241	45%	0.451	C	S	.	.	H	α-helix	trans	-73.9	-38.6	-179.6	-69.7	-3.9	0	0	0	111.4	Q476 F477 R483 K484	Q476-D480 WeakPolarHBondContact O-CB 3.5Å; Q476-D480 VanDerWaalsContact O-CG 3.25Å; Q476-D480 PolarHBondContact O-N 3.04Å; F477-D480 PolarHBondContact O-N 3.01Å; D480-R483 VanDerWaalsContact CG-NH2 3.26Å; D480-R483 PolarHBondContact O-N 2.72Å; D480-R483 IonicContact OD1-CZ 3.95Å; D480-R483 IonicContact OD1-NH1 3.2Å; D480-R483 PolarHBondContact OD1-NH1 3.25Å; D480-R483 IonicContact OD1-NH2 2.74Å; D480-R483 PolarHBondContact OD1-NH2 2.89Å; D480-R483 IonicContact OD2-NH2 2.8Å; D480-K484 WeakPolarHBondContact O-CB 3.42Å; D480-K484 WeakPolarHBondContact O-CG 3.41Å; D480-K484 PolarHBondContact O-N 3.39Å
481	M	75.9	Confident	66	Low	91 Å²	91	94.5 Å²	94.5	45%	0.448	45%	0.445	S	S	.	.	H	α-helix	trans	-62.5	-50.3	168.9	-80.7	-60.6	-55.3	0	0	111.6	F477 R483 K484 Q485	F477-M481 HydrophobicContact CD1-CG 4.09Å; F477-M481 HydrophobicContact CE1-CG 3.57Å; F477-M481 HydrophobicContact CE2-CG 4.26Å; F477-M481 HydrophobicContact CZ-CG 3.65Å; F477-M481 HydrophobicContact CZ-SD 4.09Å; F477-M481 WeakPolarHBondContact O-CB 3.4Å; F477-M481 WeakPolarHBondContact O-CG 3.45Å; F477-M481 PolarHBondContact O-N 2.9Å; M481-R483 VanDerWaalsContact C-N 3.29Å; M481-R483 PolarHBondContact O-N 3.21Å; M481-K484 PolarHBondContact O-N 3.37Å; M481-Q485 WeakPolarHBondContact O-CB 3.25Å; M481-Q485 PolarHBondContact O-N 3.05Å
482	K	71.4	Confident	65.4	Low	157 Å²	157	96.5 Å²	96.5	68%	0.683	46%	0.462	S	S	*	.	H	α-helix	trans	-63.1	-34.1	176.5	-75.9	-174.3	175	-175.3	0	112.6	N478 A486	N478-K482 WeakPolarHBondContact O-CB 3.46Å; N478-K482 WeakPolarHBondContact O-CG 3.45Å; N478-K482 PolarHBondContact O-N 2.9Å; N478-K482 VanDerWaalsContact O-N 3.08Å; K482-A486 WeakPolarHBondContact O-CB 3.35Å; K482-A486 PolarHBondContact O-N 3.38Å
483	R	70.4	Confident	64.7	Low	109 Å²	109	95.7 Å²	95.7	41%	0.411	45%	0.449	S	S	.	.	H	α-helix	trans	-66.3	-51.2	172.8	178.2	172.7	68.6	-94.7	3.6	111.2	R479 D480 M481 Q485 A486 E487	R479-R483 WeakPolarHBondContact O-CB 3.23Å; R479-R483 PolarHBondContact O-N 3.17Å; D480-R483 VanDerWaalsContact CG-NH2 3.26Å; D480-R483 PolarHBondContact O-N 2.72Å; D480-R483 IonicContact OD1-CZ 3.95Å; D480-R483 IonicContact OD1-NH1 3.2Å; D480-R483 PolarHBondContact OD1-NH1 3.25Å; D480-R483 IonicContact OD1-NH2 2.74Å; D480-R483 PolarHBondContact OD1-NH2 2.89Å; D480-R483 IonicContact OD2-NH2 2.8Å; M481-R483 VanDerWaalsContact C-N 3.29Å; M481-R483 PolarHBondContact O-N 3.21Å; R483-Q485 VanDerWaalsContact C-N 3.33Å; R483-Q485 PolarHBondContact O-N 2.88Å; R483-A486 CarbonylContact O-C 3.54Å; R483-A486 PolarHBondContact O-N 2.8Å; R483-E487 WeakPolarHBondContact CD-OE1 3.37Å; R483-E487 VanDerWaalsContact CG-CD 3.42Å; R483-E487 HydrophobicContact CG-CG 4.33Å; R483-E487 VanDerWaalsContact CG-OE1 3.23Å; R483-E487 WeakPolarHBondContact CG-OE1 3.46Å; R483-E487 WeakPolarHBondContact CG-OE2 3.21Å; R483-E487 VanDerWaalsContact O-CB 3.31Å; R483-E487 WeakPolarHBondContact O-CB 3.44Å; R483-E487 VanDerWaalsContact O-CG 3.31Å; R483-E487 WeakPolarHBondContact O-CG 3.35Å; R483-E487 PolarHBondContact O-N 3.22Å
484	K	72.9	Confident	63.7	Low	140 Å²	140	94.8 Å²	94.8	61%	0.609	45%	0.448	S	S	*	.	H	α-helix	trans	-60.3	-41.8	178.5	-77.5	-175.2	176.4	-172	0	112.1	D480 M481 E487 S488	D480-K484 WeakPolarHBondContact O-CB 3.42Å; D480-K484 WeakPolarHBondContact O-CG 3.41Å; D480-K484 PolarHBondContact O-N 3.39Å; M481-K484 PolarHBondContact O-N 3.37Å; K484-E487 PolarHBondContact O-N 2.86Å; K484-S488 PolarHBondContact O-N 2.8Å; K484-S488 PolarHBondContact O-OG 3.49Å
485	Q	67.2	Low	62.6	Low	104 Å²	104	99.2 Å²	99.2	49%	0.486	49%	0.489	S	S	.	.	H	α-helix	trans	-60.8	-52.3	173.4	178.8	175.4	-5.3	0	0	111	M481 R483 E487 S488 E489	M481-Q485 WeakPolarHBondContact O-CB 3.25Å; M481-Q485 PolarHBondContact O-N 3.05Å; R483-Q485 VanDerWaalsContact C-N 3.33Å; R483-Q485 PolarHBondContact O-N 2.88Å; Q485-E487 PolarHBondContact O-N 2.79Å; Q485-S488 WeakPolarHBondContact CA-OG 3.39Å; Q485-S488 PolarHBondContact O-N 2.84Å; Q485-S488 VanDerWaalsContact O-N 3.14Å; Q485-S488 PolarHBondContact O-OG 3.22Å; Q485-E489 HydrophobicContact CG-CG 4.48Å; Q485-E489 WeakPolarHBondContact CG-OE1 3.38Å; Q485-E489 PolarHBondContact NE2-OE1 3.23Å; Q485-E489 WeakPolarHBondContact O-CB 3.19Å; Q485-E489 WeakPolarHBondContact O-CG 3.46Å; Q485-E489 PolarHBondContact O-N 3.18Å
486	A	59.5	Low	61.6	Low	48 Å²	48	95.2 Å²	95.2	40%	0.397	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-22.4	176.8	0	0	0	0	0	113.2	K482 R483 R490	K482-A486 WeakPolarHBondContact O-CB 3.35Å; K482-A486 PolarHBondContact O-N 3.38Å; R483-A486 CarbonylContact O-C 3.54Å; R483-A486 PolarHBondContact O-N 2.8Å; A486-R490 WeakPolarHBondContact O-CG 3.18Å; A486-R490 PolarHBondContact O-N 3.22Å
487	E	58.7	Low	60.8	Low	76 Å²	76	92 Å²	92	36%	0.355	46%	0.463	S	S	.	.	H	α-helix	trans	-81.5	-36.1	174.3	-80.4	164.5	176.7	0	0	112.6	R483 K484 Q485 E489 R490	R483-E487 WeakPolarHBondContact CD-OE1 3.37Å; R483-E487 VanDerWaalsContact CG-CD 3.42Å; R483-E487 HydrophobicContact CG-CG 4.33Å; R483-E487 VanDerWaalsContact CG-OE1 3.23Å; R483-E487 WeakPolarHBondContact CG-OE1 3.46Å; R483-E487 WeakPolarHBondContact CG-OE2 3.21Å; R483-E487 VanDerWaalsContact O-CB 3.31Å; R483-E487 WeakPolarHBondContact O-CB 3.44Å; R483-E487 VanDerWaalsContact O-CG 3.31Å; R483-E487 WeakPolarHBondContact O-CG 3.35Å; R483-E487 PolarHBondContact O-N 3.22Å; K484-E487 PolarHBondContact O-N 2.86Å; Q485-E487 PolarHBondContact O-N 2.79Å; E487-E489 VanDerWaalsContact C-N 3.31Å; E487-R490 VanDerWaalsContact CG-CZ 3.47Å; E487-R490 WeakPolarHBondContact O-CB 3.21Å; E487-R490 PolarHBondContact O-N 3.14Å; E487-R490 IonicContact OE1-CZ 2.64Å; E487-R490 IonicContact OE1-NH1 2.77Å; E487-R490 IonicContact OE1-NH2 3.24Å; E487-R490 PolarHBondContact OE1-NH2 3.43Å
488	S	53.8	Low	60.1	Low	95 Å²	95	92.8 Å²	92.8	66%	0.664	47%	0.467	S	S	*	.	H	α-helix	trans	-70.9	-25.2	167.1	50.3	0	0	0	0	113.2	K484 Q485	K484-S488 PolarHBondContact O-N 2.8Å; K484-S488 PolarHBondContact O-OG 3.49Å; Q485-S488 WeakPolarHBondContact CA-OG 3.39Å; Q485-S488 PolarHBondContact O-N 2.84Å; Q485-S488 VanDerWaalsContact O-N 3.14Å; Q485-S488 PolarHBondContact O-OG 3.22Å
489	E	54.7	Low	59.4	Low	122 Å²	122	92 Å²	92	57%	0.57	46%	0.462	S	S	*	.	S	Bend	trans	-83.8	-8.1	173.3	-70.6	171.4	-167.5	0	0	112.9	Q485 E487 P491	Q485-E489 HydrophobicContact CG-CG 4.48Å; Q485-E489 WeakPolarHBondContact CG-OE1 3.38Å; Q485-E489 PolarHBondContact NE2-OE1 3.23Å; Q485-E489 WeakPolarHBondContact O-CB 3.19Å; Q485-E489 WeakPolarHBondContact O-CG 3.46Å; Q485-E489 PolarHBondContact O-N 3.18Å; E487-E489 VanDerWaalsContact C-N 3.31Å; E489-P491 WeakPolarHBondContact O-CD 3.44Å
490	R	49.9	Very low	59	Low	155 Å²	155	84.6 Å²	84.6	59%	0.585	43%	0.434	S	S	*	.	S	Bend	trans	-64.3	127.1	170.7	-78.7	174.1	-166	170	14.4	108.6	A486 E487 I492	A486-R490 WeakPolarHBondContact O-CG 3.18Å; A486-R490 PolarHBondContact O-N 3.22Å; E487-R490 VanDerWaalsContact CG-CZ 3.47Å; E487-R490 WeakPolarHBondContact O-CB 3.21Å; E487-R490 PolarHBondContact O-N 3.14Å; E487-R490 IonicContact OE1-CZ 2.64Å; E487-R490 IonicContact OE1-NH1 2.77Å; E487-R490 IonicContact OE1-NH2 3.24Å; E487-R490 PolarHBondContact OE1-NH2 3.43Å; R490-I492 PolarHBondContact O-N 3.15Å
491	P	46.5	Very low	58.2	Low	40 Å²	40	85.9 Å²	85.9	26%	0.26	44%	0.444	S	S	.	.			trans	-63.6	105.9	177.5	-21.3	32.1	0	0	0	110.6	E489 L493	E489-P491 WeakPolarHBondContact O-CD 3.44Å; P491-L493 PolarHBondContact O-N 2.88Å
492	I	44.8	Very low	57.5	Low	152 Å²	152	82.1 Å²	82.1	78%	0.779	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-53.9	124.3	167	-57.5	176.2	0	0	0	106.7	R490	R490-I492 PolarHBondContact O-N 3.15Å
493	L	48.5	Very low	56.7	Low	51 Å²	51	78.6 Å²	78.6	27%	0.267	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-70.1	145.5	178	-60.6	179.1	0	0	0	109.6	P491 A495 L499 K624	P491-L493 PolarHBondContact O-N 2.88Å; L493-A495 PolarHBondContact O-N 3.23Å; L493-L499 HydrophobicContact CD1-CD1 3.53Å; L493-L499 HydrophobicContact CD1-CD2 4.21Å; L493-L499 HydrophobicContact CD1-CG 4.08Å; L493-K624 HydrophobicContact CD2-CD 3.53Å; L493-K624 HydrophobicContact CD2-CG 4.26Å
494	P	51.9	Low	56	Low	41 Å²	41	74.9 Å²	74.9	27%	0.266	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-58.7	139.4	167.5	28.8	-34.7	0	0	0	109.1	N496 Q497	P494-N496 WeakPolarHBondContact CB-OD1 3.18Å; P494-N496 PolarHBondContact O-N 2.98Å; P494-N496 PolarHBondContact O-OD1 3.39Å; P494-Q497 PolarHBondContact O-N 2.91Å; P494-Q497 VanDerWaalsContact O-N 3.11Å
495	A	43.8	Very low	54.8	Low	115 Å²	115	76.5 Å²	76.5	95%	0.95	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-8.4	-164.9	0	0	0	0	0	115	L493	L493-A495 PolarHBondContact O-N 3.23Å
496	N	48	Very low	53.8	Low	60 Å²	60	79.3 Å²	79.3	32%	0.321	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-13	176.7	56.6	0.3	0	0	0	113.9	P494 K498	P494-N496 WeakPolarHBondContact CB-OD1 3.18Å; P494-N496 PolarHBondContact O-N 2.98Å; P494-N496 PolarHBondContact O-OD1 3.39Å; N496-K498 PolarHBondContact O-N 2.8Å; N496-K498 VanDerWaalsContact O-N 3.1Å
497	Q	58.2	Low	53.1	Low	26 Å²	26	78.6 Å²	78.6	12%	0.121	43%	0.432	C	S	.	.			trans	-76.1	102.2	-178	-178.7	156.6	23.7	0	0	112.6	P494 L499 N516 K624	P494-Q497 PolarHBondContact O-N 2.91Å; P494-Q497 VanDerWaalsContact O-N 3.11Å; Q497-L499 HydrophobicContact CG-CD2 4.41Å; Q497-L499 PolarHBondContact O-N 3.47Å; Q497-N516 PolarHBondContact NE2-ND2 2.69Å; Q497-N516 PolarHBondContact NE2-OD1 2.92Å; Q497-K624 PolarHBondContact NE2-O 2.94Å
498	K	59.3	Low	52.5	Low	84 Å²	84	81.7 Å²	81.7	37%	0.365	46%	0.459	S	S	.	.			trans	-64.8	113.3	173.5	-62.4	-167.1	176.7	-173.7	0	111.3	N496 P517 Q593 E596	N496-K498 PolarHBondContact O-N 2.8Å; N496-K498 VanDerWaalsContact O-N 3.1Å; K498-P517 WeakPolarHBondContact O-CD 3.3Å; K498-Q593 WeakPolarHBondContact CD-O 3.3Å; K498-E596 PolarHBondContact NZ-O 2.9Å
499	L	61	Low	52.1	Low	64 Å²	64	80.8 Å²	80.8	34%	0.335	45%	0.449	S	S	.	.			trans	-104.1	132.4	174.2	-71.4	178.9	0	0	0	110.3	L493 Q497 T501 V514 N516	L493-L499 HydrophobicContact CD1-CD1 3.53Å; L493-L499 HydrophobicContact CD1-CD2 4.21Å; L493-L499 HydrophobicContact CD1-CG 4.08Å; Q497-L499 HydrophobicContact CG-CD2 4.41Å; Q497-L499 PolarHBondContact O-N 3.47Å; L499-T501 PolarHBondContact O-N 2.82Å; L499-V514 HydrophobicContact CB-CG1 3.96Å; L499-V514 HydrophobicContact CD1-CG1 3.83Å; L499-V514 HydrophobicContact CD2-CG1 3.88Å; L499-V514 HydrophobicContact CG-CG1 4.12Å; L499-N516 HydrophobicContact CD2-CB 4.17Å
500	I	65.6	Low	51.9	Low	2 Å²	2	84.4 Å²	84.4	1%	0.01	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	102.3	174.7	-57.3	170.5	0	0	0	108.1	L502 V514 I515 P517 I587 F590 T594	I500-L502 HydrophobicContact CG2-CD2 3.6Å; I500-L502 HydrophobicContact CG2-CG 4.14Å; I500-V514 WeakPolarHBondContact O-CA 3.41Å; I500-I515 HydrophobicContact CB-CB 4.5Å; I500-I515 WeakPolarHBondContact CB-O 3.33Å; I500-I515 PolarHBondContact N-O 2.7Å; I500-I515 PolarHBondContact O-N 3.47Å; I500-P517 HydrophobicContact CD1-CB 3.95Å; I500-P517 HydrophobicContact CD1-CG 4.06Å; I500-P517 HydrophobicContact CG1-CG 4.32Å; I500-I587 HydrophobicContact CG2-CG2 4.18Å; I500-F590 HydrophobicContact CD1-CD2 3.88Å; I500-F590 HydrophobicContact CD1-CE2 3.72Å; I500-T594 HydrophobicContact CD1-CG2 4.28Å
501	T	60.7	Low	52.1	Low	72 Å²	72	82.8 Å²	82.8	44%	0.442	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	110.5	174.1	-59.8	0	0	0	0	109.9	L499 E512	L499-T501 PolarHBondContact O-N 2.82Å; T501-E512 HydrophobicContact CG2-CB 4.22Å; T501-E512 HydrophobicContact CG2-CG 4.41Å
502	L	60.6	Low	52.8	Low	11 Å²	11	87.5 Å²	87.5	6%	0.058	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	109.9	-179.4	-55.3	171.1	0	0	0	110.2	I500 E512 F513 I515 Y529 V533 I587	I500-L502 HydrophobicContact CG2-CD2 3.6Å; I500-L502 HydrophobicContact CG2-CG 4.14Å; L502-E512 WeakPolarHBondContact O-CA 3.33Å; L502-F513 HydrophobicContact CB-CB 4.25Å; L502-F513 VanDerWaalsContact CB-O 3.27Å; L502-F513 WeakPolarHBondContact CB-O 3.41Å; L502-F513 HydrophobicContact CD1-CB 4.36Å; L502-F513 WeakPolarHBondContact CG-O 3.43Å; L502-F513 PolarHBondContact N-O 2.99Å; L502-F513 PolarHBondContact O-N 3.47Å; L502-I515 HydrophobicContact CD1-CD1 3.58Å; L502-I515 HydrophobicContact CD1-CG1 3.84Å; L502-Y529 HydrophobicContact CD1-CD2 3.64Å; L502-Y529 HydrophobicContact CD1-CE2 4.21Å; L502-Y529 HydrophobicContact CD2-CD2 4.04Å; L502-Y529 HydrophobicContact CD2-CE2 4.05Å; L502-Y529 HydrophobicContact CG-CD2 4.46Å; L502-V533 HydrophobicContact CD1-CG2 4.05Å; L502-I587 HydrophobicContact CD2-CD1 3.88Å; L502-I587 HydrophobicContact CD2-CG1 3.9Å; L502-I587 HydrophobicContact CD2-CG2 3.87Å
503	S	55.4	Low	53.9	Low	83 Å²	83	83.4 Å²	83.4	58%	0.58	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	113.7	169.2	49.5	0	0	0	0	110.3	Q505	S503-Q505 PolarHBondContact O-N 2.81Å
504	V	55	Low	54.8	Low	32 Å²	32	84.7 Å²	84.7	19%	0.194	47%	0.466	C	S	.	.			trans	-81.5	110.9	175.1	-170.7	0	0	0	0	108.9	A507 F513 V533	V504-A507 HydrophobicContact CB-CB 4.13Å; V504-A507 HydrophobicContact CG1-CB 3.88Å; V504-F513 HydrophobicContact CG2-CD2 3.75Å; V504-F513 HydrophobicContact CG2-CE2 3.88Å; V504-V533 HydrophobicContact CG1-CG1 4.3Å; V504-V533 HydrophobicContact CG2-CG1 3.93Å; V504-V533 HydrophobicContact CG2-CG2 4.31Å
505	Q	48.3	Very low	55.7	Low	174 Å²	174	83 Å²	83	81%	0.813	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-29.6	-171.7	-59.3	-169.8	14.3	0	0	113.3	S503	S503-Q505 PolarHBondContact O-N 2.81Å
506	D	46.3	Very low	57.1	Low	163 Å²	163	78.8 Å²	78.8	87%	0.872	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	18.9	-176.9	-75.8	-55.7	0	0	0	115.2
507	A	43.6	Very low	58.1	Low	33 Å²	33	76.6 Å²	76.6	27%	0.273	41%	0.405	S	S	.	.			trans	-93.4	125.9	176.4	0	0	0	0	0	111.7	V504 T509	V504-A507 HydrophobicContact CB-CB 4.13Å; V504-A507 HydrophobicContact CG1-CB 3.88Å; A507-T509 WeakPolarHBondContact CB-O 3.4Å; A507-T509 CarbonylContact O-C 3.57Å; A507-T509 PolarHBondContact O-N 3.13Å
508	P	46.8	Very low	58.4	Low	141 Å²	141	78 Å²	78	92%	0.916	41%	0.413	S	S	*	.	S	Bend	trans	-66.6	-6	177.4	27.9	-35.7	0	0	0	113.7
509	T	45.1	Very low	58.8	Low	75 Å²	75	77.5 Å²	77.5	46%	0.46	43%	0.432	S	S	.	.	S	Bend	trans	-119.7	119	159.4	60.6	0	0	0	0	108	A507 K511	A507-T509 WeakPolarHBondContact CB-O 3.4Å; A507-T509 CarbonylContact O-C 3.57Å; A507-T509 PolarHBondContact O-N 3.13Å; T509-K511 PolarHBondContact O-N 3.02Å; T509-K511 WeakPolarHBondContact OG1-CD 3.31Å; T509-K511 VanDerWaalsContact OG1-CE 3.25Å; T509-K511 WeakPolarHBondContact OG1-CE 3.31Å
510	K	49.7	Very low	59.7	Low	199 Å²	199	77.9 Å²	77.9	87%	0.865	43%	0.431	S	S	*	.			trans	-56	105.1	168.4	-76.1	-175.5	175.6	-177.7	0	109
511	K	55.1	Low	60.6	Low	120 Å²	120	80 Å²	80	52%	0.522	45%	0.446	S	S	.	.			trans	-122.9	105	176.2	-77.4	178.4	179.1	170.3	0	107.6	T509 F513	T509-K511 PolarHBondContact O-N 3.02Å; T509-K511 WeakPolarHBondContact OG1-CD 3.31Å; T509-K511 VanDerWaalsContact OG1-CE 3.25Å; T509-K511 WeakPolarHBondContact OG1-CE 3.31Å; K511-F513 HydrophobicContact CB-CE2 4Å; K511-F513 HydrophobicContact CB-CZ 4.34Å; K511-F513 WeakPolarHBondContact O-CD2 3.39Å
512	E	61.6	Low	61.9	Low	140 Å²	140	78.8 Å²	78.8	65%	0.654	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.1	172.9	-69.7	165.3	-164.7	0	0	108.4	T501 L502	T501-E512 HydrophobicContact CG2-CB 4.22Å; T501-E512 HydrophobicContact CG2-CG 4.41Å; L502-E512 WeakPolarHBondContact O-CA 3.33Å
513	F	67.4	Low	63.4	Low	66 Å²	66	79.7 Å²	79.7	29%	0.289	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.6	175.6	-68.6	-87.2	0	0	0	109.3	L502 V504 K511 R532 V533	L502-F513 HydrophobicContact CB-CB 4.25Å; L502-F513 VanDerWaalsContact CB-O 3.27Å; L502-F513 WeakPolarHBondContact CB-O 3.41Å; L502-F513 HydrophobicContact CD1-CB 4.36Å; L502-F513 WeakPolarHBondContact CG-O 3.43Å; L502-F513 PolarHBondContact N-O 2.99Å; L502-F513 PolarHBondContact O-N 3.47Å; V504-F513 HydrophobicContact CG2-CD2 3.75Å; V504-F513 HydrophobicContact CG2-CE2 3.88Å; K511-F513 HydrophobicContact CB-CE2 4Å; K511-F513 HydrophobicContact CB-CZ 4.34Å; K511-F513 WeakPolarHBondContact O-CD2 3.39Å; F513-R532 HydrophobicContact CD1-CB 4.48Å; F513-R532 HydrophobicContact CE1-CB 4.48Å; F513-V533 HydrophobicContact CD2-CG2 4.44Å
514	V	68.4	Low	65	Low	78 Å²	78	78.8 Å²	78.8	47%	0.473	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.4	179.3	178.7	0	0	0	0	109.6	L499 I500	L499-V514 HydrophobicContact CB-CG1 3.96Å; L499-V514 HydrophobicContact CD1-CG1 3.83Å; L499-V514 HydrophobicContact CD2-CG1 3.88Å; L499-V514 HydrophobicContact CG-CG1 4.12Å; I500-V514 WeakPolarHBondContact O-CA 3.41Å
515	I	70.7	Confident	66.6	Low	4 Å²	4	77.6 Å²	77.6	2%	0.021	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.8	171.7	-58.5	-171.8	0	0	0	109.4	I500 L502 P517 I525 E528	I500-I515 HydrophobicContact CB-CB 4.5Å; I500-I515 WeakPolarHBondContact CB-O 3.33Å; I500-I515 PolarHBondContact N-O 2.7Å; I500-I515 PolarHBondContact O-N 3.47Å; L502-I515 HydrophobicContact CD1-CD1 3.58Å; L502-I515 HydrophobicContact CD1-CG1 3.84Å; I515-P517 WeakPolarHBondContact O-CD 3.36Å; I515-I525 HydrophobicContact CG2-CG2 4.4Å; I515-E528 HydrophobicContact CD1-CB 4.46Å; I515-E528 HydrophobicContact CD1-CG 4.08Å
516	N	71.7	Confident	68.6	Low	27 Å²	27	69.3 Å²	69.3	14%	0.144	39%	0.388	C	S	.	.			trans	-77.6	120.7	162.4	178.8	27.4	0	0	0	109.1	Q497 L499 N518 K520 K624	Q497-N516 PolarHBondContact NE2-ND2 2.69Å; Q497-N516 PolarHBondContact NE2-OD1 2.92Å; L499-N516 HydrophobicContact CD2-CB 4.17Å; N516-N518 PolarHBondContact OD1-N 3.28Å; N516-N518 VanDerWaalsContact OD1-N 3.16Å; N516-K520 WeakPolarHBondContact O-CD 3.3Å; N516-K520 WeakPolarHBondContact O-CE 3.35Å; N516-K520 PolarHBondContact O-NZ 3.43Å; N516-K624 PolarHBondContact ND2-O 2.82Å
517	P	69.4	Low	70.7	Confident	15 Å²	15	65.1 Å²	65.1	10%	0.097	36%	0.363	C	S	.	.			trans	-79.5	-25.9	174.6	31.8	-33.4	0	0	0	112.9	K498 I500 I515 G519 K520 I525 T594	K498-P517 WeakPolarHBondContact O-CD 3.3Å; I500-P517 HydrophobicContact CD1-CB 3.95Å; I500-P517 HydrophobicContact CD1-CG 4.06Å; I500-P517 HydrophobicContact CG1-CG 4.32Å; I515-P517 WeakPolarHBondContact O-CD 3.36Å; P517-G519 PolarHBondContact O-N 3.11Å; P517-K520 PolarHBondContact O-N 3.48Å; P517-K520 VanDerWaalsContact O-N 3.11Å; P517-I525 HydrophobicContact CB-CD1 3.9Å; P517-T594 HydrophobicContact CB-CG2 4.45Å
518	N	65.1	Low	72.8	Confident	55 Å²	55	64.8 Å²	64.8	29%	0.294	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	133.1	-174.4	-70.5	14.8	0	0	0	111.3	N516 K520	N516-N518 PolarHBondContact OD1-N 3.28Å; N516-N518 VanDerWaalsContact OD1-N 3.16Å; N518-K520 VanDerWaalsContact C-N 3.25Å; N518-K520 PolarHBondContact O-N 2.88Å
519	G	66.4	Low	74.7	Confident	74 Å²	74	59.2 Å²	59.2	76%	0.763	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-3.6	-178	0	0	0	0	0	115.8	P517	P517-G519 PolarHBondContact O-N 3.11Å
520	K	81.5	Confident	76.7	Confident	71 Å²	71	55.6 Å²	55.6	31%	0.309	30%	0.295	S	S	.	.			trans	-105.2	144.5	178.2	-61.3	-178.7	-171.1	167.8	0	111.4	N516 P517 N518 C524 I525 E528	N516-K520 WeakPolarHBondContact O-CD 3.3Å; N516-K520 WeakPolarHBondContact O-CE 3.35Å; N516-K520 PolarHBondContact O-NZ 3.43Å; P517-K520 PolarHBondContact O-N 3.48Å; P517-K520 VanDerWaalsContact O-N 3.11Å; N518-K520 VanDerWaalsContact C-N 3.25Å; N518-K520 PolarHBondContact O-N 2.88Å; K520-C524 HydrophobicContact CB-CB 4.48Å; K520-I525 HydrophobicContact CB-CD1 4.16Å; K520-I525 HydrophobicContact CB-CG1 3.74Å; K520-I525 HydrophobicContact CD-CG1 4.28Å; K520-E528 WeakPolarHBondContact CD-OE2 3.46Å; K520-E528 WeakPolarHBondContact CE-OE2 3.33Å; K520-E528 IonicContact NZ-OE1 3.87Å; K520-E528 PolarHBondContact NZ-OE1 3.41Å; K520-E528 IonicContact NZ-OE2 3.42Å; K520-E528 PolarHBondContact NZ-OE2 3.4Å
521	S	84.6	Confident	78.4	Confident	48 Å²	48	50.7 Å²	50.7	34%	0.336	28%	0.275	S	S	.	.			trans	-78	154.4	167.6	83.8	0	0	0	0	111	V523 C524 I525	S521-V523 PolarHBondContact O-N 3.42Å; S521-C524 CarbonylContact O-C 3.52Å; S521-C524 WeakPolarHBondContact O-CA 3.35Å; S521-C524 VanDerWaalsContact O-CB 3.3Å; S521-C524 WeakPolarHBondContact O-CB 3.44Å; S521-C524 PolarHBondContact O-N 2.85Å; S521-C524 PolarHBondContact OG-N 2.88Å; S521-C524 PolarHBondContact OG-SG 3.25Å; S521-I525 WeakPolarHBondContact O-CG1 3.24Å; S521-I525 PolarHBondContact O-N 2.69Å
522	E	88.2	Confident	79.6	Confident	45 Å²	45	50.4 Å²	50.4	21%	0.21	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-30.1	177.9	-65.8	82.3	168.6	0	0	112.2	C524 I525 L526 N576 A579 R580 L583	E522-C524 VanDerWaalsContact C-N 3.33Å; E522-I525 PolarHBondContact O-N 2.97Å; E522-L526 VanDerWaalsContact O-CB 3.29Å; E522-L526 WeakPolarHBondContact O-CB 3.46Å; E522-L526 PolarHBondContact O-N 2.89Å; E522-N576 PolarHBondContact OE2-ND2 2.97Å; E522-A579 HydrophobicContact CB-CB 4.35Å; E522-R580 HydrophobicContact CB-CB 4.28Å; E522-R580 HydrophobicContact CG-CB 4.1Å; E522-R580 HydrophobicContact CG-CG 4.26Å; E522-R580 IonicContact OE1-CZ 2.82Å; E522-R580 IonicContact OE1-NE 3.51Å; E522-R580 PolarHBondContact OE1-NE 3.3Å; E522-R580 IonicContact OE1-NH2 3.2Å; E522-R580 PolarHBondContact OE1-NH2 3.18Å; E522-R580 IonicContact OE2-NH2 3.71Å; E522-R580 PolarHBondContact OE2-NH2 3.45Å; E522-L583 HydrophobicContact CB-CD1 4.1Å; E522-L583 WeakPolarHBondContact O-CD1 3.4Å
523	V	91	Very high	80.5	Confident	31 Å²	31	45 Å²	45	19%	0.188	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-39.9	171.2	176.9	0	0	0	0	111.1	S521 H527 K575 A579	S521-V523 PolarHBondContact O-N 3.42Å; V523-H527 WeakPolarHBondContact O-CB 3.46Å; V523-H527 PolarHBondContact O-N 3.36Å; V523-H527 VanDerWaalsContact O-N 3.08Å; V523-K575 HydrophobicContact CG1-CD 4.37Å; V523-K575 HydrophobicContact CG2-CD 4.35Å; V523-K575 HydrophobicContact CG2-CG 4.07Å; V523-A579 HydrophobicContact CB-CB 4.44Å; V523-A579 HydrophobicContact CG2-CB 3.89Å
524	C	89.9	Confident	81.1	Confident	64 Å²	64	45.5 Å²	45.5	43%	0.432	25%	0.252	S	S	.	.	H	α-helix	trans	-72.7	-43.6	177	-54.4	0	0	0	0	111.4	K520 S521 E522 L526 H527 E528	K520-C524 HydrophobicContact CB-CB 4.48Å; S521-C524 CarbonylContact O-C 3.52Å; S521-C524 WeakPolarHBondContact O-CA 3.35Å; S521-C524 VanDerWaalsContact O-CB 3.3Å; S521-C524 WeakPolarHBondContact O-CB 3.44Å; S521-C524 PolarHBondContact O-N 2.85Å; S521-C524 PolarHBondContact OG-N 2.88Å; S521-C524 PolarHBondContact OG-SG 3.25Å; E522-C524 VanDerWaalsContact C-N 3.33Å; C524-L526 VanDerWaalsContact C-N 3.32Å; C524-L526 PolarHBondContact O-N 2.83Å; C524-H527 PolarHBondContact O-N 3Å; C524-E528 VanDerWaalsContact O-CB 3.24Å; C524-E528 WeakPolarHBondContact O-CB 3.27Å; C524-E528 PolarHBondContact O-N 3.27Å
525	I	88.8	Confident	81.9	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-42.7	178	-62.6	168.2	0	0	0	110.1	I515 P517 K520 S521 E522 E528 Y529 L583 F590	I515-I525 HydrophobicContact CG2-CG2 4.4Å; P517-I525 HydrophobicContact CB-CD1 3.9Å; K520-I525 HydrophobicContact CB-CD1 4.16Å; K520-I525 HydrophobicContact CB-CG1 3.74Å; K520-I525 HydrophobicContact CD-CG1 4.28Å; S521-I525 WeakPolarHBondContact O-CG1 3.24Å; S521-I525 PolarHBondContact O-N 2.69Å; E522-I525 PolarHBondContact O-N 2.97Å; I525-E528 PolarHBondContact O-N 2.98Å; I525-Y529 WeakPolarHBondContact O-CB 3.35Å; I525-Y529 PolarHBondContact O-N 3.4Å; I525-L583 HydrophobicContact CB-CD1 3.98Å; I525-L583 HydrophobicContact CG2-CD1 3.85Å; I525-L583 HydrophobicContact CG2-CD2 3.87Å; I525-F590 HydrophobicContact CG2-CE2 4.28Å
526	L	89.8	Confident	82.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-44.2	175.7	-178.5	59.9	0	0	0	112.6	E522 C524 E528 Y529 M530 V556 A579 T582 L583 L586	E522-L526 VanDerWaalsContact O-CB 3.29Å; E522-L526 WeakPolarHBondContact O-CB 3.46Å; E522-L526 PolarHBondContact O-N 2.89Å; C524-L526 VanDerWaalsContact C-N 3.32Å; C524-L526 PolarHBondContact O-N 2.83Å; L526-E528 VanDerWaalsContact C-N 3.32Å; L526-E528 PolarHBondContact O-N 2.98Å; L526-Y529 PolarHBondContact O-N 2.79Å; L526-M530 HydrophobicContact CD1-CG 3.9Å; L526-M530 HydrophobicContact CD1-SD 3.76Å; L526-M530 HydrophobicContact CG-CG 4.39Å; L526-M530 HydrophobicContact CG-SD 3.91Å; L526-M530 WeakPolarHBondContact O-CB 3.45Å; L526-M530 VanDerWaalsContact O-CG 3.3Å; L526-M530 WeakPolarHBondContact O-CG 3.5Å; L526-M530 PolarHBondContact O-N 3.23Å; L526-V556 HydrophobicContact CD2-CG1 4.18Å; L526-V556 HydrophobicContact CD2-CG2 3.98Å; L526-A579 HydrophobicContact CB-CB 4.39Å; L526-A579 HydrophobicContact CD2-CB 3.89Å; L526-T582 HydrophobicContact CD1-CG2 3.72Å; L526-T582 HydrophobicContact CD2-CG2 3.83Å; L526-T582 HydrophobicContact CG-CG2 4.46Å; L526-L583 HydrophobicContact CB-CD1 4.18Å; L526-L583 HydrophobicContact CB-CD2 4.1Å; L526-L583 HydrophobicContact CB-CG 4Å; L526-L583 HydrophobicContact CD1-CD2 4.07Å; L526-L583 HydrophobicContact CD1-CG 4.19Å; L526-L586 HydrophobicContact CD1-CD1 3.91Å
527	H	90.5	Very high	83.3	Confident	75 Å²	75	58.1 Å²	58.1	35%	0.347	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-41.5	175.5	-174.9	86.1	0	0	0	111.8	V523 C524 M530 Q531 P538	V523-H527 WeakPolarHBondContact O-CB 3.46Å; V523-H527 PolarHBondContact O-N 3.36Å; V523-H527 VanDerWaalsContact O-N 3.08Å; C524-H527 PolarHBondContact O-N 3Å; H527-M530 PolarHBondContact O-N 2.93Å; H527-Q531 WeakPolarHBondContact O-CB 3.46Å; H527-Q531 PolarHBondContact O-N 3.44Å; H527-P538 HydrophobicContact CB-CG 4.38Å
528	E	87.4	Confident	84.2	Confident	27 Å²	27	57.9 Å²	57.9	13%	0.126	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-41.9	178.3	-172.7	172.6	178.2	0	0	112.6	I515 K520 C524 I525 L526 R532	I515-E528 HydrophobicContact CD1-CB 4.46Å; I515-E528 HydrophobicContact CD1-CG 4.08Å; K520-E528 WeakPolarHBondContact CD-OE2 3.46Å; K520-E528 WeakPolarHBondContact CE-OE2 3.33Å; K520-E528 IonicContact NZ-OE1 3.87Å; K520-E528 PolarHBondContact NZ-OE1 3.41Å; K520-E528 IonicContact NZ-OE2 3.42Å; K520-E528 PolarHBondContact NZ-OE2 3.4Å; C524-E528 VanDerWaalsContact O-CB 3.24Å; C524-E528 WeakPolarHBondContact O-CB 3.27Å; C524-E528 PolarHBondContact O-N 3.27Å; I525-E528 PolarHBondContact O-N 2.98Å; L526-E528 VanDerWaalsContact C-N 3.32Å; L526-E528 PolarHBondContact O-N 2.98Å; E528-R532 VanDerWaalsContact CG-CZ 3.48Å; E528-R532 WeakPolarHBondContact O-CB 3.41Å; E528-R532 WeakPolarHBondContact O-CG 3.41Å; E528-R532 PolarHBondContact O-N 2.9Å; E528-R532 IonicContact OE1-CZ 2.66Å; E528-R532 IonicContact OE1-NH1 3.71Å; E528-R532 PolarHBondContact OE1-NH1 3.27Å; E528-R532 IonicContact OE1-NH2 3.52Å; E528-R532 PolarHBondContact OE1-NH2 2.97Å
529	Y	86.1	Confident	85.6	Confident	23 Å²	23	59.3 Å²	59.3	9%	0.09	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-54.6	171.2	174.2	-83.9	0	0	0	110.7	L502 I525 L526 Q531 R532 V533 L534 L586 I587	L502-Y529 HydrophobicContact CD1-CD2 3.64Å; L502-Y529 HydrophobicContact CD1-CE2 4.21Å; L502-Y529 HydrophobicContact CD2-CD2 4.04Å; L502-Y529 HydrophobicContact CD2-CE2 4.05Å; L502-Y529 HydrophobicContact CG-CD2 4.46Å; I525-Y529 WeakPolarHBondContact O-CB 3.35Å; I525-Y529 PolarHBondContact O-N 3.4Å; L526-Y529 PolarHBondContact O-N 2.79Å; Y529-Q531 VanDerWaalsContact C-N 3.35Å; Y529-Q531 PolarHBondContact O-N 3.42Å; Y529-R532 PolarHBondContact O-N 3.39Å; Y529-V533 HydrophobicContact CD2-CB 4.49Å; Y529-V533 HydrophobicContact CD2-CG2 4.03Å; Y529-V533 HydrophobicContact CE1-CB 4.41Å; Y529-V533 HydrophobicContact CE2-CB 4.31Å; Y529-V533 HydrophobicContact CE2-CG1 4.33Å; Y529-V533 HydrophobicContact CE2-CG2 4.06Å; Y529-V533 HydrophobicContact CG-CG2 4.47Å; Y529-V533 WeakPolarHBondContact O-CB 3.49Å; Y529-V533 PolarHBondContact O-N 3.18Å; Y529-L534 HydrophobicContact CE1-CD1 3.8Å; Y529-L534 HydrophobicContact CE1-CG 3.9Å; Y529-L586 HydrophobicContact CD1-CD1 4.18Å; Y529-L586 HydrophobicContact CE1-CB 3.89Å; Y529-L586 HydrophobicContact CE1-CD1 3.84Å; Y529-L586 HydrophobicContact CE1-CG 4.37Å; Y529-L586 PolarHBondContact OH-O 3.35Å; Y529-I587 HydrophobicContact CD2-CD1 3.62Å; Y529-I587 HydrophobicContact CD2-CG1 3.71Å; Y529-I587 HydrophobicContact CE2-CD1 3.97Å; Y529-I587 HydrophobicContact CE2-CG1 3.49Å; Y529-I587 VanDerWaalsContact CE2-CG1 3.49Å; Y529-I587 HydrophobicContact CG-CD1 4.3Å
530	M	86.4	Confident	86.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.278	C	S	.	.	I	π-helix	trans	-65.3	-37.1	-175	-71.9	-177.3	62.8	0	0	112.3	L526 H527 L534 K535 V536 P538 I558	L526-M530 HydrophobicContact CD1-CG 3.9Å; L526-M530 HydrophobicContact CD1-SD 3.76Å; L526-M530 HydrophobicContact CG-CG 4.39Å; L526-M530 HydrophobicContact CG-SD 3.91Å; L526-M530 WeakPolarHBondContact O-CB 3.45Å; L526-M530 VanDerWaalsContact O-CG 3.3Å; L526-M530 WeakPolarHBondContact O-CG 3.5Å; L526-M530 PolarHBondContact O-N 3.23Å; H527-M530 PolarHBondContact O-N 2.93Å; M530-L534 HydrophobicContact CG-CD1 4.47Å; M530-L534 CarbonylContact O-C 3.55Å; M530-L534 PolarHBondContact O-N 2.99Å; M530-K535 WeakPolarHBondContact O-CA 3.37Å; M530-K535 PolarHBondContact O-N 3.5Å; M530-V536 CarbonylContact C-O 3.6Å; M530-V536 WeakPolarHBondContact CB-O 3.1Å; M530-V536 HydrophobicContact CE-CG2 3.71Å; M530-V536 PolarHBondContact O-N 3.44Å; M530-V536 VanDerWaalsContact O-N 3.17Å; M530-P538 HydrophobicContact CE-CB 3.91Å; M530-P538 HydrophobicContact CE-CG 4.4Å; M530-P538 HydrophobicContact SD-CB 3.55Å; M530-P538 VanDerWaalsContact SD-CB 3.55Å; M530-P538 HydrophobicContact SD-CG 3.93Å; M530-I558 HydrophobicContact CE-CB 4.15Å; M530-I558 HydrophobicContact CE-CD1 3.64Å; M530-I558 HydrophobicContact CE-CG1 3.62Å; M530-I558 HydrophobicContact CE-CG2 3.58Å; M530-I558 HydrophobicContact SD-CD1 3.76Å; M530-I558 HydrophobicContact SD-CG1 4.2Å
531	Q	85.8	Confident	87.5	Confident	95 Å²	95	58 Å²	58	44%	0.444	28%	0.283	S	S	.	.	I	π-helix	trans	-66.9	-38.4	176.3	-175	-173.9	72.2	0	0	112.8	H527 Y529	H527-Q531 WeakPolarHBondContact O-CB 3.46Å; H527-Q531 PolarHBondContact O-N 3.44Å; Y529-Q531 VanDerWaalsContact C-N 3.35Å; Y529-Q531 PolarHBondContact O-N 3.42Å
532	R	81.1	Confident	88.1	Confident	115 Å²	115	59.5 Å²	59.5	43%	0.434	28%	0.284	S	S	.	.	I	π-helix	trans	-96.2	-37.1	-172.2	-63.8	-172.3	-168.2	141.6	13.4	114.7	F513 E528 Y529	F513-R532 HydrophobicContact CD1-CB 4.48Å; F513-R532 HydrophobicContact CE1-CB 4.48Å; E528-R532 VanDerWaalsContact CG-CZ 3.48Å; E528-R532 WeakPolarHBondContact O-CB 3.41Å; E528-R532 WeakPolarHBondContact O-CG 3.41Å; E528-R532 PolarHBondContact O-N 2.9Å; E528-R532 IonicContact OE1-CZ 2.66Å; E528-R532 IonicContact OE1-NH1 3.71Å; E528-R532 PolarHBondContact OE1-NH1 3.27Å; E528-R532 IonicContact OE1-NH2 3.52Å; E528-R532 PolarHBondContact OE1-NH2 2.97Å; Y529-R532 PolarHBondContact O-N 3.39Å
533	V	80.8	Confident	88.3	Confident	26 Å²	26	60.8 Å²	60.8	16%	0.158	29%	0.289	C	S	.	.	I	π-helix	trans	-86.3	-60.2	179.9	178.7	0	0	0	0	110.2	L502 V504 F513 Y529	L502-V533 HydrophobicContact CD1-CG2 4.05Å; V504-V533 HydrophobicContact CG1-CG1 4.3Å; V504-V533 HydrophobicContact CG2-CG1 3.93Å; V504-V533 HydrophobicContact CG2-CG2 4.31Å; F513-V533 HydrophobicContact CD2-CG2 4.44Å; Y529-V533 HydrophobicContact CD2-CB 4.49Å; Y529-V533 HydrophobicContact CD2-CG2 4.03Å; Y529-V533 HydrophobicContact CE1-CB 4.41Å; Y529-V533 HydrophobicContact CE2-CB 4.31Å; Y529-V533 HydrophobicContact CE2-CG1 4.33Å; Y529-V533 HydrophobicContact CE2-CG2 4.06Å; Y529-V533 HydrophobicContact CG-CG2 4.47Å; Y529-V533 WeakPolarHBondContact O-CB 3.49Å; Y529-V533 PolarHBondContact O-N 3.18Å
534	L	80.5	Confident	88.4	Confident	77 Å²	77	64.6 Å²	64.6	40%	0.403	31%	0.308	S	S	.	.	I	π-helix	trans	-90.3	-18.6	-172.5	-56.9	-179.1	0	0	0	113.9	Y529 M530 V536 L586	Y529-L534 HydrophobicContact CE1-CD1 3.8Å; Y529-L534 HydrophobicContact CE1-CG 3.9Å; M530-L534 HydrophobicContact CG-CD1 4.47Å; M530-L534 CarbonylContact O-C 3.55Å; M530-L534 PolarHBondContact O-N 2.99Å; L534-V536 VanDerWaalsContact C-N 3.27Å; L534-V536 HydrophobicContact CB-CG2 3.65Å; L534-V536 HydrophobicContact CD1-CG2 4.42Å; L534-V536 PolarHBondContact O-N 2.9Å; L534-L586 HydrophobicContact CD1-CD1 4.49Å
535	K	84.8	Confident	88.3	Confident	177 Å²	177	63 Å²	63	77%	0.77	30%	0.298	S	S	*	.			trans	59	27.2	-175.4	-57.4	173.2	179.8	167.4	0	115.4	M530	M530-K535 WeakPolarHBondContact O-CA 3.37Å; M530-K535 PolarHBondContact O-N 3.5Å
536	V	85.8	Confident	88.3	Confident	38 Å²	38	72.9 Å²	72.9	23%	0.23	34%	0.344	C	S	.	.			trans	-116.8	159.1	178.7	-70.7	0	0	0	0	111.5	M530 L534 I558	M530-V536 CarbonylContact C-O 3.6Å; M530-V536 WeakPolarHBondContact CB-O 3.1Å; M530-V536 HydrophobicContact CE-CG2 3.71Å; M530-V536 PolarHBondContact O-N 3.44Å; M530-V536 VanDerWaalsContact O-N 3.17Å; L534-V536 VanDerWaalsContact C-N 3.27Å; L534-V536 HydrophobicContact CB-CG2 3.65Å; L534-V536 HydrophobicContact CD1-CG2 4.42Å; L534-V536 PolarHBondContact O-N 2.9Å; V536-I558 HydrophobicContact CG2-CG2 3.83Å
537	R	84.6	Confident	88	Confident	159 Å²	159	76.6 Å²	76.6	60%	0.6	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-95.7	127.2	178.7	-179.9	175.3	178.3	163.1	-0.3	110.1	E191 V539	E191-R537 IonicContact OE1-NH2 2.67Å; E191-R537 PolarHBondContact OE1-NH2 3.35Å; E191-R537 IonicContact OE2-CZ 2.81Å; E191-R537 IonicContact OE2-NH1 3.37Å; E191-R537 PolarHBondContact OE2-NH1 3.47Å; E191-R537 IonicContact OE2-NH2 2.56Å; E191-R537 PolarHBondContact OE2-NH2 2.85Å; R537-V539 PolarHBondContact O-N 2.91Å
538	P	89.4	Confident	87.6	Confident	10 Å²	10	79.1 Å²	79.1	7%	0.065	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-63.7	122.7	170.4	19.9	-27.6	0	0	0	110.9	H527 M530 Y540 V556	H527-P538 HydrophobicContact CB-CG 4.38Å; M530-P538 HydrophobicContact CE-CB 3.91Å; M530-P538 HydrophobicContact CE-CG 4.4Å; M530-P538 HydrophobicContact SD-CB 3.55Å; M530-P538 VanDerWaalsContact SD-CB 3.55Å; M530-P538 HydrophobicContact SD-CG 3.93Å; P538-Y540 HydrophobicContact CB-CD2 4.42Å; P538-Y540 HydrophobicContact CB-CE2 3.83Å; P538-Y540 HydrophobicContact CG-CE2 4.18Å; P538-V556 HydrophobicContact CB-CG1 4.18Å
539	V	93.3	Very high	87.5	Confident	85 Å²	85	82 Å²	82	52%	0.515	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.3	165.3	179.4	0	0	0	0	107.8	R537 V556 I557	R537-V539 PolarHBondContact O-N 2.91Å; V539-V556 WeakPolarHBondContact O-CA 3.36Å; V539-I557 HydrophobicContact CB-CB 4.23Å; V539-I557 PolarHBondContact N-O 2.95Å; V539-I557 VanDerWaalsContact N-O 3.11Å; V539-I557 PolarHBondContact O-N 3.32Å
540	Y	95.1	Very high	87.6	Confident	36 Å²	36	83 Å²	83	14%	0.141	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.6	176.1	-73.3	-94.5	0	0	0	109.1	P538 S555 V556 K575 A579	P538-Y540 HydrophobicContact CB-CD2 4.42Å; P538-Y540 HydrophobicContact CB-CE2 3.83Å; P538-Y540 HydrophobicContact CG-CE2 4.18Å; Y540-S555 WeakPolarHBondContact CA-O 3.48Å; Y540-V556 HydrophobicContact CD1-CG2 3.97Å; Y540-V556 HydrophobicContact CE1-CG2 3.61Å; Y540-K575 HydrophobicContact CD1-CD 4.16Å; Y540-K575 HydrophobicContact CD1-CG 3.43Å; Y540-K575 VanDerWaalsContact CD1-CG 3.43Å; Y540-K575 HydrophobicContact CE1-CD 4.22Å; Y540-K575 HydrophobicContact CE1-CG 3.42Å; Y540-K575 VanDerWaalsContact CE1-CG 3.42Å; Y540-K575 HydrophobicContact CG-CD 4.37Å; Y540-K575 HydrophobicContact CG-CG 4.1Å; Y540-A579 HydrophobicContact CE1-CB 4.37Å
541	N	94.7	Very high	87.8	Confident	80 Å²	80	85.1 Å²	85.1	43%	0.428	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	143.3	168.2	-172.7	21.6	0	0	0	109.3	A554 S555 I557	N541-A554 CarbonylContact O-C 3.6Å; N541-A554 VanDerWaalsContact O-CA 3.25Å; N541-A554 WeakPolarHBondContact O-CA 3.3Å; N541-S555 PolarHBondContact N-O 3.29Å; N541-S555 PolarHBondContact O-N 3.08Å; N541-I557 HydrophobicContact CB-CD1 3.94Å
542	F	95.5	Very high	88.2	Confident	81 Å²	81	83.8 Å²	83.8	36%	0.355	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.3	176	-67.6	-83.4	0	0	0	109.3	A554 K571 K575	F542-A554 HydrophobicContact CD1-CB 3.78Å; F542-A554 HydrophobicContact CE1-CB 3.83Å; F542-K571 HydrophobicContact CD1-CB 4.31Å; F542-K571 HydrophobicContact CD1-CG 4.5Å; F542-K571 HydrophobicContact CE1-CB 4.23Å; F542-K575 HydrophobicContact CE1-CB 4.14Å; F542-K575 HydrophobicContact CE1-CG 4.42Å; F542-K575 HydrophobicContact CZ-CB 4.33Å; F542-K575 HydrophobicContact CZ-CD 4Å; F542-K575 HydrophobicContact CZ-CG 4.14Å
543	F	94.1	Very high	88.9	Confident	72 Å²	72	78.3 Å²	78.3	32%	0.316	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.5	-180	58.3	-85.8	0	0	0	108.4	C545 G553 T565	F543-C545 WeakPolarHBondContact CE2-SG 3.39Å; F543-G553 PolarHBondContact N-O 3.45Å; F543-G553 VanDerWaalsContact N-O 3.16Å; F543-G553 CarbonylContact O-C 3.44Å; F543-G553 WeakPolarHBondContact O-CA 3.35Å; F543-G553 PolarHBondContact O-N 2.93Å; F543-G553 VanDerWaalsContact O-O 3.06Å; F543-T565 HydrophobicContact CE1-CG2 4.07Å; F543-T565 HydrophobicContact CZ-CG2 3.69Å
544	D	92.7	Very high	89.6	Confident	110 Å²	110	77 Å²	77	59%	0.588	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	157	176.7	-59.7	-42.3	0	0	0	110.1	P551 F552 K571	D544-P551 CarbonylContact C-O 3.52Å; D544-P551 VanDerWaalsContact CA-O 3.32Å; D544-P551 WeakPolarHBondContact CA-O 3.49Å; D544-F552 WeakPolarHBondContact OD1-CD1 3.41Å; D544-K571 IonicContact OD1-NZ 3.76Å
545	C	87.5	Confident	90.3	Very high	31 Å²	31	73.7 Å²	73.7	21%	0.209	38%	0.38	C	S	.	.			trans	-127.3	143.2	-170.2	-65.5	0	0	0	0	111.3	F543 N547 P551	F543-C545 WeakPolarHBondContact CE2-SG 3.39Å; C545-N547 PolarHBondContact O-N 3.48Å; C545-P551 PolarHBondContact N-O 2.96Å
546	E	87.7	Confident	90.8	Very high	214 Å²	214	65.3 Å²	65.3	100%	1	34%	0.343	S	S	*	.	S	Bend	trans	-72.7	20.9	179.7	-56.3	-172.7	153.4	0	0	114.1
547	N	83.7	Confident	91.1	Very high	78 Å²	78	65.3 Å²	65.3	42%	0.417	34%	0.341	S	S	.	.			trans	-106	110.1	179.7	-179.1	-4.9	0	0	0	110.5	C545 S549 E550 P551	C545-N547 PolarHBondContact O-N 3.48Å; N547-S549 PolarHBondContact O-N 2.91Å; N547-S549 WeakPolarHBondContact OD1-CB 3.3Å; N547-S549 PolarHBondContact OD1-N 2.7Å; N547-E550 CarbonylContact O-C 3.39Å; N547-E550 PolarHBondContact O-N 2.86Å; N547-P551 WeakPolarHBondContact O-CA 3.37Å; N547-P551 WeakPolarHBondContact O-CD 3.25Å
548	S	83.8	Confident	91.3	Very high	127 Å²	127	58 Å²	58	89%	0.888	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-21.9	178.5	-168.5	0	0	0	0	114.6
549	S	84	Confident	91	Very high	88 Å²	88	63.9 Å²	63.9	62%	0.615	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-33.3	176.5	-167.1	0	0	0	0	113.2	N547	N547-S549 PolarHBondContact O-N 2.91Å; N547-S549 WeakPolarHBondContact OD1-CB 3.3Å; N547-S549 PolarHBondContact OD1-N 2.7Å
550	E	88.4	Confident	90.4	Very high	44 Å²	44	63.1 Å²	63.1	21%	0.206	35%	0.354	C	S	.	.			trans	-133.9	66.6	-179.2	-63.1	-155.9	145.7	0	0	111.7	N547 F552 T567 A568 K577	N547-E550 CarbonylContact O-C 3.39Å; N547-E550 PolarHBondContact O-N 2.86Å; E550-F552 PolarHBondContact O-N 2.77Å; E550-T567 VanDerWaalsContact OE2-C 3.31Å; E550-T567 WeakPolarHBondContact OE2-CB 3.44Å; E550-T567 PolarHBondContact OE2-OG1 3.36Å; E550-A568 CarbonylContact C-O 3.6Å; E550-A568 WeakPolarHBondContact CA-O 3.27Å; E550-K577 IonicContact OE1-NZ 3.47Å; E550-K577 PolarHBondContact OE1-NZ 3.2Å; E550-K577 IonicContact OE2-NZ 2.67Å; E550-K577 PolarHBondContact OE2-NZ 2.86Å; E550-K577 VanDerWaalsContact OE2-NZ 3.08Å
551	P	90.3	Very high	90	Very high	44 Å²	44	65.5 Å²	65.5	29%	0.286	37%	0.372	S	S	.	.			trans	-76.1	-6.7	-171.9	30.5	-37	0	0	0	114.2	D544 C545 N547	D544-P551 CarbonylContact C-O 3.52Å; D544-P551 VanDerWaalsContact CA-O 3.32Å; D544-P551 WeakPolarHBondContact CA-O 3.49Å; C545-P551 PolarHBondContact N-O 2.96Å; N547-P551 WeakPolarHBondContact O-CA 3.37Å; N547-P551 WeakPolarHBondContact O-CD 3.25Å
552	F	95	Very high	89.7	Confident	67 Å²	67	65.4 Å²	65.4	29%	0.294	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.9	-179.7	-55.5	-71.2	0	0	0	111.1	D544 E550 T567 A568 S570 K571 A574	D544-F552 WeakPolarHBondContact OD1-CD1 3.41Å; E550-F552 PolarHBondContact O-N 2.77Å; F552-T567 CarbonylContact O-C 3.58Å; F552-T567 WeakPolarHBondContact O-CA 3.44Å; F552-A568 PolarHBondContact N-O 3.01Å; F552-A568 VanDerWaalsContact N-O 3.13Å; F552-A568 PolarHBondContact O-N 2.95Å; F552-S570 VanDerWaalsContact CD2-CA 3.42Å; F552-K571 HydrophobicContact CB-CG 3.93Å; F552-K571 HydrophobicContact CD1-CD 4.15Å; F552-K571 VanDerWaalsContact CD1-CE 3.46Å; F552-K571 HydrophobicContact CD1-CG 3.54Å; F552-K571 HydrophobicContact CE1-CG 4.2Å; F552-K571 HydrophobicContact CG-CG 3.8Å; F552-A574 HydrophobicContact CB-CB 4.45Å; F552-A574 VanDerWaalsContact O-CB 3.27Å; F552-A574 WeakPolarHBondContact O-CB 3.36Å
553	G	94.7	Very high	89.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	151.6	169.3	0	0	0	0	0	112.7	F543	F543-G553 PolarHBondContact N-O 3.45Å; F543-G553 VanDerWaalsContact N-O 3.16Å; F543-G553 CarbonylContact O-C 3.44Å; F543-G553 WeakPolarHBondContact O-CA 3.35Å; F543-G553 PolarHBondContact O-N 2.93Å; F543-G553 VanDerWaalsContact O-O 3.06Å
554	A	97.1	Very high	89.3	Confident	0 Å²	0	62 Å²	62	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.6	164.6	0	0	0	0	0	109.8	N541 F542 T565 G566 A574 A578	N541-A554 CarbonylContact O-C 3.6Å; N541-A554 VanDerWaalsContact O-CA 3.25Å; N541-A554 WeakPolarHBondContact O-CA 3.3Å; F542-A554 HydrophobicContact CD1-CB 3.78Å; F542-A554 HydrophobicContact CE1-CB 3.83Å; A554-T565 CarbonylContact O-C 3.44Å; A554-T565 WeakPolarHBondContact O-CA 3.45Å; A554-G566 PolarHBondContact N-O 2.92Å; A554-G566 PolarHBondContact O-N 3.28Å; A554-A574 HydrophobicContact CB-CB 3.97Å; A554-A578 HydrophobicContact CB-CB 4.17Å; A554-A578 WeakPolarHBondContact O-CB 3.29Å
555	S	94.6	Very high	89.4	Confident	7 Å²	7	60.1 Å²	60.1	5%	0.049	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151	168.9	65.3	0	0	0	0	111.3	Y540 N541 G564 T565	Y540-S555 WeakPolarHBondContact CA-O 3.48Å; N541-S555 PolarHBondContact N-O 3.29Å; N541-S555 PolarHBondContact O-N 3.08Å; S555-G564 WeakPolarHBondContact CA-O 3.36Å; S555-T565 VanDerWaalsContact CB-OG1 3.23Å; S555-T565 WeakPolarHBondContact CB-OG1 3.39Å
556	V	95.9	Very high	89.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131	174.2	-173.9	0	0	0	0	109.1	L526 P538 V539 Y540 I558 T562 Y563 G564 A578 T582	L526-V556 HydrophobicContact CD2-CG1 4.18Å; L526-V556 HydrophobicContact CD2-CG2 3.98Å; P538-V556 HydrophobicContact CB-CG1 4.18Å; V539-V556 WeakPolarHBondContact O-CA 3.36Å; Y540-V556 HydrophobicContact CD1-CG2 3.97Å; Y540-V556 HydrophobicContact CE1-CG2 3.61Å; V556-I558 HydrophobicContact CG1-CG1 4.09Å; V556-T562 WeakPolarHBondContact O-CA 3.48Å; V556-Y563 PolarHBondContact O-N 3.15Å; V556-G564 PolarHBondContact N-O 2.9Å; V556-A578 HydrophobicContact CG2-CB 4.21Å; V556-T582 HydrophobicContact CB-CG2 4.33Å; V556-T582 WeakPolarHBondContact CB-OG1 3.39Å; V556-T582 HydrophobicContact CG1-CG2 4.24Å; V556-T582 VanDerWaalsContact CG2-OG1 3.25Å; V556-T582 WeakPolarHBondContact CG2-OG1 3.36Å
557	I	90.7	Very high	90	Very high	38 Å²	38	51.1 Å²	51.1	20%	0.195	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.4	173	-58.4	177.1	0	0	0	108.3	V539 N541 V561	V539-I557 HydrophobicContact CB-CB 4.23Å; V539-I557 PolarHBondContact N-O 2.95Å; V539-I557 VanDerWaalsContact N-O 3.11Å; V539-I557 PolarHBondContact O-N 3.32Å; N541-I557 HydrophobicContact CB-CD1 3.94Å; I557-V561 CarbonylContact C-O 3.23Å; I557-V561 VanDerWaalsContact CA-O 3.3Å; I557-V561 WeakPolarHBondContact CA-O 3.46Å
558	I	89.4	Confident	90.5	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124	175.1	-41	179.4	0	0	0	106.5	M530 V536 V556 G560 V561 Y563 T582 L586	M530-I558 HydrophobicContact CE-CB 4.15Å; M530-I558 HydrophobicContact CE-CD1 3.64Å; M530-I558 HydrophobicContact CE-CG1 3.62Å; M530-I558 HydrophobicContact CE-CG2 3.58Å; M530-I558 HydrophobicContact SD-CD1 3.76Å; M530-I558 HydrophobicContact SD-CG1 4.2Å; V536-I558 HydrophobicContact CG2-CG2 3.83Å; V556-I558 HydrophobicContact CG1-CG1 4.09Å; I558-G560 PolarHBondContact O-N 2.89Å; I558-V561 PolarHBondContact N-O 3.35Å; I558-V561 PolarHBondContact O-N 3.24Å; I558-Y563 HydrophobicContact CB-CD2 3.92Å; I558-Y563 HydrophobicContact CB-CE2 3.58Å; I558-Y563 HydrophobicContact CD1-CD1 4.24Å; I558-Y563 HydrophobicContact CD1-CD2 3.8Å; I558-Y563 HydrophobicContact CD1-CE1 4.33Å; I558-Y563 HydrophobicContact CD1-CE2 3.92Å; I558-Y563 HydrophobicContact CD1-CG 3.99Å; I558-Y563 HydrophobicContact CG1-CD2 3.67Å; I558-Y563 HydrophobicContact CG1-CE2 3.82Å; I558-Y563 HydrophobicContact CG1-CG 4.29Å; I558-T582 HydrophobicContact CD1-CG2 4.15Å; I558-L586 HydrophobicContact CD1-CD1 3.88Å
559	D	83.7	Confident	90.8	Very high	134 Å²	134	45 Å²	45	72%	0.717	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	37	179.4	-54	-24.8	0	0	0	114.4	V561	D559-V561 VanDerWaalsContact C-N 3.33Å; D559-V561 PolarHBondContact O-N 3.32Å
560	G	79.8	Confident	91.2	Very high	68 Å²	68	43 Å²	43	70%	0.701	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-9.8	-179.6	0	0	0	0	0	115.5	I558	I558-G560 PolarHBondContact O-N 2.89Å
561	V	86.2	Confident	91.2	Very high	86 Å²	86	45.5 Å²	45.5	52%	0.521	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	137.3	178.5	-179.9	0	0	0	0	110.4	I557 I558 D559 Y563	I557-V561 CarbonylContact C-O 3.23Å; I557-V561 VanDerWaalsContact CA-O 3.3Å; I557-V561 WeakPolarHBondContact CA-O 3.46Å; I558-V561 PolarHBondContact N-O 3.35Å; I558-V561 PolarHBondContact O-N 3.24Å; D559-V561 VanDerWaalsContact C-N 3.33Å; D559-V561 PolarHBondContact O-N 3.32Å; V561-Y563 HydrophobicContact CB-CE2 3.91Å; V561-Y563 HydrophobicContact CG1-CD2 4.35Å; V561-Y563 HydrophobicContact CG1-CE2 3.94Å; V561-Y563 WeakPolarHBondContact O-CD2 3.19Å
562	T	89.4	Confident	91.3	Very high	78 Å²	78	52 Å²	52	48%	0.479	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.8	174.9	-57.7	0	0	0	0	110.6	V556	V556-T562 WeakPolarHBondContact O-CA 3.48Å
563	Y	91.4	Very high	91	Very high	79 Å²	79	52.3 Å²	52.3	31%	0.31	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-116.8	177.9	-71.3	-111.4	0	0	0	110	V556 I558 V561 T582 I585 L586	V556-Y563 PolarHBondContact O-N 3.15Å; I558-Y563 HydrophobicContact CB-CD2 3.92Å; I558-Y563 HydrophobicContact CB-CE2 3.58Å; I558-Y563 HydrophobicContact CD1-CD1 4.24Å; I558-Y563 HydrophobicContact CD1-CD2 3.8Å; I558-Y563 HydrophobicContact CD1-CE1 4.33Å; I558-Y563 HydrophobicContact CD1-CE2 3.92Å; I558-Y563 HydrophobicContact CD1-CG 3.99Å; I558-Y563 HydrophobicContact CG1-CD2 3.67Å; I558-Y563 HydrophobicContact CG1-CE2 3.82Å; I558-Y563 HydrophobicContact CG1-CG 4.29Å; V561-Y563 HydrophobicContact CB-CE2 3.91Å; V561-Y563 HydrophobicContact CG1-CD2 4.35Å; V561-Y563 HydrophobicContact CG1-CE2 3.94Å; V561-Y563 WeakPolarHBondContact O-CD2 3.19Å; Y563-T582 HydrophobicContact CG-CG2 4.42Å; Y563-I585 HydrophobicContact CD1-CG2 4.03Å; Y563-L586 HydrophobicContact CD1-CD2 4.11Å; Y563-L586 HydrophobicContact CE1-CD2 3.78Å
564	G	90.5	Very high	91	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	138.9	-178.2	0	0	0	0	0	112.6	S555 V556 T582	S555-G564 WeakPolarHBondContact CA-O 3.36Å; V556-G564 PolarHBondContact N-O 2.9Å; G564-T582 WeakPolarHBondContact CA-OG1 3.35Å; G564-T582 PolarHBondContact N-OG1 3.49Å
565	T	93.6	Very high	90.8	Very high	71 Å²	71	55.4 Å²	55.4	44%	0.436	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.3	179.1	-61.8	0	0	0	0	109.1	F543 A554 S555	F543-T565 HydrophobicContact CE1-CG2 4.07Å; F543-T565 HydrophobicContact CZ-CG2 3.69Å; A554-T565 CarbonylContact O-C 3.44Å; A554-T565 WeakPolarHBondContact O-CA 3.45Å; S555-T565 VanDerWaalsContact CB-OG1 3.23Å; S555-T565 WeakPolarHBondContact CB-OG1 3.39Å
566	G	93.9	Very high	90.8	Very high	6 Å²	6	56.3 Å²	56.3	6%	0.062	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	131.8	-178.9	0	0	0	0	0	113.6	A554 A574	A554-G566 PolarHBondContact N-O 2.92Å; A554-G566 PolarHBondContact O-N 3.28Å; G566-A574 WeakPolarHBondContact O-CB 3.44Å
567	T	94.8	Very high	90.6	Very high	50 Å²	50	59.4 Å²	59.4	31%	0.307	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	147.6	174.5	53.5	0	0	0	0	110.8	E550 F552 K577	E550-T567 VanDerWaalsContact OE2-C 3.31Å; E550-T567 WeakPolarHBondContact OE2-CB 3.44Å; E550-T567 PolarHBondContact OE2-OG1 3.36Å; F552-T567 CarbonylContact O-C 3.58Å; F552-T567 WeakPolarHBondContact O-CA 3.44Å; T567-K577 WeakPolarHBondContact O-CD 3.44Å; T567-K577 WeakPolarHBondContact O-CE 3.33Å; T567-K577 PolarHBondContact O-NZ 3.46Å
568	A	92.8	Very high	90.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	171.8	174.1	0	0	0	0	0	113.5	E550 F552 S570 L573 A574	E550-A568 CarbonylContact C-O 3.6Å; E550-A568 WeakPolarHBondContact CA-O 3.27Å; F552-A568 PolarHBondContact N-O 3.01Å; F552-A568 VanDerWaalsContact N-O 3.13Å; F552-A568 PolarHBondContact O-N 2.95Å; A568-S570 PolarHBondContact O-N 3.16Å; A568-L573 HydrophobicContact CB-CB 3.65Å; A568-L573 HydrophobicContact CB-CD2 4.02Å; A568-L573 HydrophobicContact CB-CG 3.67Å; A568-A574 HydrophobicContact CB-CB 4.03Å; A568-A574 VanDerWaalsContact CB-N 3.31Å
569	S	91.1	Very high	90.9	Very high	78 Å²	78	57.3 Å²	57.3	55%	0.545	32%	0.319	S	S	.	.	S	Bend	trans	-70.1	0.1	169.9	56.5	0	0	0	0	115.1
570	S	91.6	Very high	91.2	Very high	45 Å²	45	54.4 Å²	54.4	32%	0.315	30%	0.298	S	S	.	.	S	Bend	trans	-154.7	149	169.5	65	0	0	0	0	112.2	F552 A568 K572 L573 A574	F552-S570 VanDerWaalsContact CD2-CA 3.42Å; A568-S570 PolarHBondContact O-N 3.16Å; S570-K572 PolarHBondContact O-N 3.41Å; S570-K572 VanDerWaalsContact O-N 3.14Å; S570-L573 PolarHBondContact O-N 2.97Å; S570-L573 WeakPolarHBondContact OG-CB 3.22Å; S570-L573 PolarHBondContact OG-N 3.27Å; S570-A574 WeakPolarHBondContact O-CB 3.4Å; S570-A574 PolarHBondContact O-N 3.22Å
571	K	89.4	Confident	91.7	Very high	97 Å²	97	52.3 Å²	52.3	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-54.5	-32.8	175	-64.9	-170	174	-173.4	0	112.8	F542 D544 F552 K575	F542-K571 HydrophobicContact CD1-CB 4.31Å; F542-K571 HydrophobicContact CD1-CG 4.5Å; F542-K571 HydrophobicContact CE1-CB 4.23Å; D544-K571 IonicContact OD1-NZ 3.76Å; F552-K571 HydrophobicContact CB-CG 3.93Å; F552-K571 HydrophobicContact CD1-CD 4.15Å; F552-K571 VanDerWaalsContact CD1-CE 3.46Å; F552-K571 HydrophobicContact CD1-CG 3.54Å; F552-K571 HydrophobicContact CE1-CG 4.2Å; F552-K571 HydrophobicContact CG-CG 3.8Å; K571-K575 WeakPolarHBondContact O-CB 3.44Å; K571-K575 PolarHBondContact O-N 3.46Å
572	K	91.3	Very high	91.9	Very high	181 Å²	181	48.2 Å²	48.2	79%	0.787	25%	0.249	S	C	*	.	H	α-helix	trans	-65.6	-45.5	174.8	-175.8	177.1	179.2	179.8	0	112.6	S570 N576	S570-K572 PolarHBondContact O-N 3.41Å; S570-K572 VanDerWaalsContact O-N 3.14Å; K572-N576 PolarHBondContact O-N 3.09Å; K572-N576 VanDerWaalsContact O-N 3.13Å
573	L	89.3	Confident	91.8	Very high	73 Å²	73	44.5 Å²	44.5	38%	0.382	23%	0.227	S	C	.	.	H	α-helix	trans	-75.1	-31.9	179.4	-175	58.6	0	0	0	111.8	A568 S570 N576 K577	A568-L573 HydrophobicContact CB-CB 3.65Å; A568-L573 HydrophobicContact CB-CD2 4.02Å; A568-L573 HydrophobicContact CB-CG 3.67Å; S570-L573 PolarHBondContact O-N 2.97Å; S570-L573 WeakPolarHBondContact OG-CB 3.22Å; S570-L573 PolarHBondContact OG-N 3.27Å; L573-N576 WeakPolarHBondContact O-CB 3.31Å; L573-N576 PolarHBondContact O-N 3.21Å; L573-K577 PolarHBondContact O-N 2.9Å
574	A	93.9	Very high	91.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-50.9	171.8	0	0	0	0	0	110.7	F552 A554 G566 A568 S570 N576 K577 A578	F552-A574 HydrophobicContact CB-CB 4.45Å; F552-A574 VanDerWaalsContact O-CB 3.27Å; F552-A574 WeakPolarHBondContact O-CB 3.36Å; A554-A574 HydrophobicContact CB-CB 3.97Å; G566-A574 WeakPolarHBondContact O-CB 3.44Å; A568-A574 HydrophobicContact CB-CB 4.03Å; A568-A574 VanDerWaalsContact CB-N 3.31Å; S570-A574 WeakPolarHBondContact O-CB 3.4Å; S570-A574 PolarHBondContact O-N 3.22Å; A574-N576 PolarHBondContact O-N 2.86Å; A574-K577 PolarHBondContact O-N 2.8Å; A574-K577 VanDerWaalsContact O-N 3.17Å; A574-A578 WeakPolarHBondContact O-CB 3.33Å; A574-A578 PolarHBondContact O-N 3.07Å
575	K	94.4	Very high	91.3	Very high	65 Å²	65	49.9 Å²	49.9	28%	0.283	26%	0.256	S	S	.	.	H	α-helix	trans	-54.1	-40.4	173.6	-160.4	-176.8	-166.4	171.2	0	112.2	V523 Y540 F542 K571 A579	V523-K575 HydrophobicContact CG1-CD 4.37Å; V523-K575 HydrophobicContact CG2-CD 4.35Å; V523-K575 HydrophobicContact CG2-CG 4.07Å; Y540-K575 HydrophobicContact CD1-CD 4.16Å; Y540-K575 HydrophobicContact CD1-CG 3.43Å; Y540-K575 VanDerWaalsContact CD1-CG 3.43Å; Y540-K575 HydrophobicContact CE1-CD 4.22Å; Y540-K575 HydrophobicContact CE1-CG 3.42Å; Y540-K575 VanDerWaalsContact CE1-CG 3.42Å; Y540-K575 HydrophobicContact CG-CD 4.37Å; Y540-K575 HydrophobicContact CG-CG 4.1Å; F542-K575 HydrophobicContact CE1-CB 4.14Å; F542-K575 HydrophobicContact CE1-CG 4.42Å; F542-K575 HydrophobicContact CZ-CB 4.33Å; F542-K575 HydrophobicContact CZ-CD 4Å; F542-K575 HydrophobicContact CZ-CG 4.14Å; K571-K575 WeakPolarHBondContact O-CB 3.44Å; K571-K575 PolarHBondContact O-N 3.46Å; K575-A579 WeakPolarHBondContact O-CB 3.43Å; K575-A579 PolarHBondContact O-N 3.26Å
576	N	92.9	Very high	90.8	Very high	25 Å²	25	47.9 Å²	47.9	13%	0.134	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-46.5	177.6	-177.6	-87.5	0	0	0	112.9	E522 K572 L573 A574 A579 R580	E522-N576 PolarHBondContact OE2-ND2 2.97Å; K572-N576 PolarHBondContact O-N 3.09Å; K572-N576 VanDerWaalsContact O-N 3.13Å; L573-N576 WeakPolarHBondContact O-CB 3.31Å; L573-N576 PolarHBondContact O-N 3.21Å; A574-N576 PolarHBondContact O-N 2.86Å; N576-A579 PolarHBondContact O-N 2.96Å; N576-R580 PolarHBondContact O-N 2.86Å; N576-R580 PolarHBondContact OD1-NH1 3.43Å; N576-R580 PolarHBondContact OD1-NH2 3.18Å
577	K	91.7	Very high	90.2	Very high	65 Å²	65	48 Å²	48	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-44.8	174.5	-73.7	-169.3	-166.9	176	0	111.9	E550 T567 L573 A574 A579 R580 A581	E550-K577 IonicContact OE1-NZ 3.47Å; E550-K577 PolarHBondContact OE1-NZ 3.2Å; E550-K577 IonicContact OE2-NZ 2.67Å; E550-K577 PolarHBondContact OE2-NZ 2.86Å; E550-K577 VanDerWaalsContact OE2-NZ 3.08Å; T567-K577 WeakPolarHBondContact O-CD 3.44Å; T567-K577 WeakPolarHBondContact O-CE 3.33Å; T567-K577 PolarHBondContact O-NZ 3.46Å; L573-K577 PolarHBondContact O-N 2.9Å; A574-K577 PolarHBondContact O-N 2.8Å; A574-K577 VanDerWaalsContact O-N 3.17Å; K577-A579 VanDerWaalsContact C-N 3.33Å; K577-A579 PolarHBondContact O-N 3.43Å; K577-R580 PolarHBondContact O-N 3.29Å; K577-A581 PolarHBondContact O-N 2.65Å
578	A	94.6	Very high	89.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-41.7	177	0	0	0	0	0	112.3	A554 V556 A574 T582	A554-A578 HydrophobicContact CB-CB 4.17Å; A554-A578 WeakPolarHBondContact O-CB 3.29Å; V556-A578 HydrophobicContact CG2-CB 4.21Å; A574-A578 WeakPolarHBondContact O-CB 3.33Å; A574-A578 PolarHBondContact O-N 3.07Å; A578-T582 WeakPolarHBondContact O-CB 3.23Å; A578-T582 PolarHBondContact O-N 3.47Å; A578-T582 PolarHBondContact O-OG1 3.21Å
579	A	93.6	Very high	87.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-42.3	174.8	0	0	0	0	0	112.4	E522 V523 L526 Y540 K575 N576 K577 T582 L583	E522-A579 HydrophobicContact CB-CB 4.35Å; V523-A579 HydrophobicContact CB-CB 4.44Å; V523-A579 HydrophobicContact CG2-CB 3.89Å; L526-A579 HydrophobicContact CB-CB 4.39Å; L526-A579 HydrophobicContact CD2-CB 3.89Å; Y540-A579 HydrophobicContact CE1-CB 4.37Å; K575-A579 WeakPolarHBondContact O-CB 3.43Å; K575-A579 PolarHBondContact O-N 3.26Å; N576-A579 PolarHBondContact O-N 2.96Å; K577-A579 VanDerWaalsContact C-N 3.33Å; K577-A579 PolarHBondContact O-N 3.43Å; A579-T582 PolarHBondContact O-N 3.05Å; A579-L583 WeakPolarHBondContact O-CG 3.44Å; A579-L583 PolarHBondContact O-N 3.16Å
580	R	89.9	Confident	87.1	Confident	73 Å²	73	51 Å²	51	28%	0.275	26%	0.255	S	S	.	.	H	α-helix	trans	-61.5	-51.1	175.8	-168.3	-175.5	-68.3	89.3	0.5	111.8	E522 N576 K577 T582 L583 E584 F590	E522-R580 HydrophobicContact CB-CB 4.28Å; E522-R580 HydrophobicContact CG-CB 4.1Å; E522-R580 HydrophobicContact CG-CG 4.26Å; E522-R580 IonicContact OE1-CZ 2.82Å; E522-R580 IonicContact OE1-NE 3.51Å; E522-R580 PolarHBondContact OE1-NE 3.3Å; E522-R580 IonicContact OE1-NH2 3.2Å; E522-R580 PolarHBondContact OE1-NH2 3.18Å; E522-R580 IonicContact OE2-NH2 3.71Å; E522-R580 PolarHBondContact OE2-NH2 3.45Å; N576-R580 PolarHBondContact O-N 2.86Å; N576-R580 PolarHBondContact OD1-NH1 3.43Å; N576-R580 PolarHBondContact OD1-NH2 3.18Å; K577-R580 PolarHBondContact O-N 3.29Å; R580-T582 PolarHBondContact O-N 2.77Å; R580-L583 WeakPolarHBondContact O-CB 3.45Å; R580-L583 PolarHBondContact O-N 2.93Å; R580-E584 WeakPolarHBondContact CG-OE1 3.4Å; R580-E584 WeakPolarHBondContact O-CG 3.5Å; R580-E584 PolarHBondContact O-N 3.29Å; R580-F590 HydrophobicContact CG-CE1 4.3Å
581	A	88.8	Confident	85.9	Confident	24 Å²	24	52 Å²	52	20%	0.198	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-30.9	176.1	0	0	0	0	0	112.5	K577 I585	K577-A581 PolarHBondContact O-N 2.65Å; A581-I585 WeakPolarHBondContact O-CD1 3.48Å; A581-I585 VanDerWaalsContact O-CG1 3.27Å; A581-I585 WeakPolarHBondContact O-CG1 3.44Å; A581-I585 PolarHBondContact O-N 3.38Å
582	T	90.3	Very high	84.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-73.5	-39.4	174.4	-54.4	0	0	0	0	112.1	L526 V556 I558 Y563 G564 A578 A579 R580 E584 I585 L586	L526-T582 HydrophobicContact CD1-CG2 3.72Å; L526-T582 HydrophobicContact CD2-CG2 3.83Å; L526-T582 HydrophobicContact CG-CG2 4.46Å; V556-T582 HydrophobicContact CB-CG2 4.33Å; V556-T582 WeakPolarHBondContact CB-OG1 3.39Å; V556-T582 HydrophobicContact CG1-CG2 4.24Å; V556-T582 VanDerWaalsContact CG2-OG1 3.25Å; V556-T582 WeakPolarHBondContact CG2-OG1 3.36Å; I558-T582 HydrophobicContact CD1-CG2 4.15Å; Y563-T582 HydrophobicContact CG-CG2 4.42Å; G564-T582 WeakPolarHBondContact CA-OG1 3.35Å; G564-T582 PolarHBondContact N-OG1 3.49Å; A578-T582 WeakPolarHBondContact O-CB 3.23Å; A578-T582 PolarHBondContact O-N 3.47Å; A578-T582 PolarHBondContact O-OG1 3.21Å; A579-T582 PolarHBondContact O-N 3.05Å; R580-T582 PolarHBondContact O-N 2.77Å; T582-E584 VanDerWaalsContact C-N 3.33Å; T582-I585 PolarHBondContact O-N 3.19Å; T582-L586 HydrophobicContact CG2-CD1 3.7Å; T582-L586 HydrophobicContact CG2-CG 4.22Å; T582-L586 WeakPolarHBondContact O-CB 3.22Å; T582-L586 WeakPolarHBondContact O-CG 3.35Å; T582-L586 PolarHBondContact O-N 3.07Å
583	L	88	Confident	83.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-39	173.7	-73.5	164	0	0	0	112	E522 I525 L526 A579 R580 I585 L586 I587 F590	E522-L583 HydrophobicContact CB-CD1 4.1Å; E522-L583 WeakPolarHBondContact O-CD1 3.4Å; I525-L583 HydrophobicContact CB-CD1 3.98Å; I525-L583 HydrophobicContact CG2-CD1 3.85Å; I525-L583 HydrophobicContact CG2-CD2 3.87Å; L526-L583 HydrophobicContact CB-CD1 4.18Å; L526-L583 HydrophobicContact CB-CD2 4.1Å; L526-L583 HydrophobicContact CB-CG 4Å; L526-L583 HydrophobicContact CD1-CD2 4.07Å; L526-L583 HydrophobicContact CD1-CG 4.19Å; A579-L583 WeakPolarHBondContact O-CG 3.44Å; A579-L583 PolarHBondContact O-N 3.16Å; R580-L583 WeakPolarHBondContact O-CB 3.45Å; R580-L583 PolarHBondContact O-N 2.93Å; L583-I585 PolarHBondContact O-N 2.93Å; L583-L586 PolarHBondContact O-N 3.26Å; L583-I587 HydrophobicContact CD2-CD1 3.55Å; L583-I587 WeakPolarHBondContact O-CB 3.48Å; L583-I587 PolarHBondContact O-N 3.19Å; L583-F590 HydrophobicContact CB-CD1 3.94Å; L583-F590 HydrophobicContact CB-CD2 4.22Å; L583-F590 HydrophobicContact CB-CE1 3.8Å; L583-F590 HydrophobicContact CB-CE2 4.09Å; L583-F590 HydrophobicContact CB-CG 4.16Å; L583-F590 HydrophobicContact CB-CZ 3.9Å; L583-F590 HydrophobicContact CD1-CE1 4.25Å; L583-F590 HydrophobicContact CD1-CE2 4.06Å; L583-F590 HydrophobicContact CD1-CZ 3.67Å; L583-F590 HydrophobicContact CD2-CE2 4.46Å; L583-F590 HydrophobicContact CG-CE2 4.45Å; L583-F590 HydrophobicContact CG-CZ 4.32Å
584	E	86.1	Confident	82.1	Confident	93 Å²	93	46.8 Å²	46.8	44%	0.435	24%	0.24	S	C	.	.	H	α-helix	trans	-62.9	-28.9	175.1	-67.4	169.9	-173	0	0	112.9	R580 T582 F590 V591	R580-E584 WeakPolarHBondContact CG-OE1 3.4Å; R580-E584 WeakPolarHBondContact O-CG 3.5Å; R580-E584 PolarHBondContact O-N 3.29Å; T582-E584 VanDerWaalsContact C-N 3.33Å; E584-F590 HydrophobicContact CG-CD1 3.99Å; E584-V591 HydrophobicContact CG-CG2 3.69Å
585	I	85.4	Confident	80.4	Confident	102 Å²	102	50.3 Å²	50.3	52%	0.523	27%	0.265	S	S	.	.	H	α-helix	trans	-81.6	-41.8	174.3	-66	162.2	0	0	0	111.7	Y563 A581 T582 L583	Y563-I585 HydrophobicContact CD1-CG2 4.03Å; A581-I585 WeakPolarHBondContact O-CD1 3.48Å; A581-I585 VanDerWaalsContact O-CG1 3.27Å; A581-I585 WeakPolarHBondContact O-CG1 3.44Å; A581-I585 PolarHBondContact O-N 3.38Å; T582-I585 PolarHBondContact O-N 3.19Å; L583-I585 PolarHBondContact O-N 2.93Å
586	L	84	Confident	78.1	Confident	29 Å²	29	53.2 Å²	53.2	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-86.5	-18.1	-172.4	-67	177.6	0	0	0	114.6	L526 Y529 L534 I558 Y563 T582 L583	L526-L586 HydrophobicContact CD1-CD1 3.91Å; Y529-L586 HydrophobicContact CD1-CD1 4.18Å; Y529-L586 HydrophobicContact CE1-CB 3.89Å; Y529-L586 HydrophobicContact CE1-CD1 3.84Å; Y529-L586 HydrophobicContact CE1-CG 4.37Å; Y529-L586 PolarHBondContact OH-O 3.35Å; L534-L586 HydrophobicContact CD1-CD1 4.49Å; I558-L586 HydrophobicContact CD1-CD1 3.88Å; Y563-L586 HydrophobicContact CD1-CD2 4.11Å; Y563-L586 HydrophobicContact CE1-CD2 3.78Å; T582-L586 HydrophobicContact CG2-CD1 3.7Å; T582-L586 HydrophobicContact CG2-CG 4.22Å; T582-L586 WeakPolarHBondContact O-CB 3.22Å; T582-L586 WeakPolarHBondContact O-CG 3.35Å; T582-L586 PolarHBondContact O-N 3.07Å; L583-L586 PolarHBondContact O-N 3.26Å
587	I	80.3	Confident	75.7	Confident	9 Å²	9	60.3 Å²	60.3	5%	0.046	31%	0.312	C	S	.	.	S	Bend	trans	-129.8	99.6	-176.6	-56.2	168.5	0	0	0	108.5	I500 L502 Y529 L583 D589 F590	I500-I587 HydrophobicContact CG2-CG2 4.18Å; L502-I587 HydrophobicContact CD2-CD1 3.88Å; L502-I587 HydrophobicContact CD2-CG1 3.9Å; L502-I587 HydrophobicContact CD2-CG2 3.87Å; Y529-I587 HydrophobicContact CD2-CD1 3.62Å; Y529-I587 HydrophobicContact CD2-CG1 3.71Å; Y529-I587 HydrophobicContact CE2-CD1 3.97Å; Y529-I587 HydrophobicContact CE2-CG1 3.49Å; Y529-I587 VanDerWaalsContact CE2-CG1 3.49Å; Y529-I587 HydrophobicContact CG-CD1 4.3Å; L583-I587 HydrophobicContact CD2-CD1 3.55Å; L583-I587 WeakPolarHBondContact O-CB 3.48Å; L583-I587 PolarHBondContact O-N 3.19Å; I587-D589 PolarHBondContact O-N 3.19Å; I587-F590 HydrophobicContact CB-CB 3.94Å; I587-F590 HydrophobicContact CB-CD2 4.48Å; I587-F590 HydrophobicContact CD1-CD2 4.08Å; I587-F590 HydrophobicContact CG2-CB 3.94Å; I587-F590 HydrophobicContact CG2-CD2 4.43Å; I587-F590 VanDerWaalsContact O-CB 3.22Å; I587-F590 WeakPolarHBondContact O-CB 3.25Å; I587-F590 PolarHBondContact O-N 2.68Å; I587-F590 VanDerWaalsContact O-N 3.15Å
588	P	74.8	Confident	73.4	Confident	103 Å²	103	65.9 Å²	65.9	67%	0.669	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	139.5	169.7	-27.1	35.9	0	0	0	111.3	F590	P588-F590 PolarHBondContact O-N 2.89Å; P588-F590 VanDerWaalsContact O-N 3.16Å
589	D	65.1	Low	71	Confident	80 Å²	80	68 Å²	68	43%	0.428	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	11.7	-177.3	-65.2	-15.9	0	0	0	116.8	I587 V591 K592 Q593	I587-D589 PolarHBondContact O-N 3.19Å; D589-V591 PolarHBondContact O-N 2.98Å; D589-K592 HydrophobicContact CB-CB 4.41Å; D589-K592 HydrophobicContact CB-CD 4.14Å; D589-K592 HydrophobicContact CB-CG 4.49Å; D589-K592 PolarHBondContact O-N 2.94Å; D589-K592 VanDerWaalsContact O-N 3.09Å; D589-K592 WeakPolarHBondContact OD1-CD 3.33Å; D589-K592 WeakPolarHBondContact OD1-CE 3.4Å; D589-K592 IonicContact OD1-NZ 2.68Å; D589-K592 PolarHBondContact OD1-NZ 2.87Å; D589-K592 IonicContact OD2-NZ 3.35Å; D589-K592 PolarHBondContact OD2-NZ 3.47Å; D589-Q593 WeakPolarHBondContact O-CG 3.2Å; D589-Q593 PolarHBondContact O-N 2.67Å
590	F	73.2	Confident	68.7	Low	6 Å²	6	73.7 Å²	73.7	3%	0.026	38%	0.384	C	S	.	.	H	α-helix	trans	-50.4	-42.1	171.3	179.7	-100.1	0	0	0	112.8	I500 I525 R580 L583 E584 I587 P588 Q593 T594	I500-F590 HydrophobicContact CD1-CD2 3.88Å; I500-F590 HydrophobicContact CD1-CE2 3.72Å; I525-F590 HydrophobicContact CG2-CE2 4.28Å; R580-F590 HydrophobicContact CG-CE1 4.3Å; L583-F590 HydrophobicContact CB-CD1 3.94Å; L583-F590 HydrophobicContact CB-CD2 4.22Å; L583-F590 HydrophobicContact CB-CE1 3.8Å; L583-F590 HydrophobicContact CB-CE2 4.09Å; L583-F590 HydrophobicContact CB-CG 4.16Å; L583-F590 HydrophobicContact CB-CZ 3.9Å; L583-F590 HydrophobicContact CD1-CE1 4.25Å; L583-F590 HydrophobicContact CD1-CE2 4.06Å; L583-F590 HydrophobicContact CD1-CZ 3.67Å; L583-F590 HydrophobicContact CD2-CE2 4.46Å; L583-F590 HydrophobicContact CG-CE2 4.45Å; L583-F590 HydrophobicContact CG-CZ 4.32Å; E584-F590 HydrophobicContact CG-CD1 3.99Å; I587-F590 HydrophobicContact CB-CB 3.94Å; I587-F590 HydrophobicContact CB-CD2 4.48Å; I587-F590 HydrophobicContact CD1-CD2 4.08Å; I587-F590 HydrophobicContact CG2-CB 3.94Å; I587-F590 HydrophobicContact CG2-CD2 4.43Å; I587-F590 VanDerWaalsContact O-CB 3.22Å; I587-F590 WeakPolarHBondContact O-CB 3.25Å; I587-F590 PolarHBondContact O-N 2.68Å; I587-F590 VanDerWaalsContact O-N 3.15Å; P588-F590 PolarHBondContact O-N 2.89Å; P588-F590 VanDerWaalsContact O-N 3.16Å; F590-Q593 PolarHBondContact O-N 2.89Å; F590-T594 HydrophobicContact CD2-CG2 4.46Å; F590-T594 HydrophobicContact CE2-CG2 4.12Å; F590-T594 HydrophobicContact CZ-CG2 4.17Å; F590-T594 WeakPolarHBondContact O-CB 3.38Å; F590-T594 WeakPolarHBondContact O-CG2 3.41Å; F590-T594 PolarHBondContact O-N 3.17Å; F590-T594 PolarHBondContact O-OG1 2.9Å
591	V	66.3	Low	66.8	Low	68 Å²	68	76.8 Å²	76.8	41%	0.412	40%	0.402	S	S	.	.	H	α-helix	trans	-59.5	-57.8	175.2	-176.4	0	0	0	0	110.1	E584 D589 Q593 T594 S595	E584-V591 HydrophobicContact CG-CG2 3.69Å; D589-V591 PolarHBondContact O-N 2.98Å; V591-Q593 PolarHBondContact O-N 3.15Å; V591-T594 CarbonylContact O-C 3.18Å; V591-T594 PolarHBondContact O-N 3.02Å; V591-T594 PolarHBondContact O-OG1 2.85Å; V591-S595 VanDerWaalsContact O-CB 3.24Å; V591-S595 WeakPolarHBondContact O-CB 3.39Å; V591-S595 PolarHBondContact O-N 2.95Å; V591-S595 PolarHBondContact O-OG 2.89Å
592	K	65.8	Low	65	Low	115 Å²	115	78 Å²	78	50%	0.5	42%	0.416	S	S	.	.	H	α-helix	trans	-56.2	-38.3	-178.9	-55.6	178.6	-169.5	155.1	0	112.6	D589 T594	D589-K592 HydrophobicContact CB-CB 4.41Å; D589-K592 HydrophobicContact CB-CD 4.14Å; D589-K592 HydrophobicContact CB-CG 4.49Å; D589-K592 PolarHBondContact O-N 2.94Å; D589-K592 VanDerWaalsContact O-N 3.09Å; D589-K592 WeakPolarHBondContact OD1-CD 3.33Å; D589-K592 WeakPolarHBondContact OD1-CE 3.4Å; D589-K592 IonicContact OD1-NZ 2.68Å; D589-K592 PolarHBondContact OD1-NZ 2.87Å; D589-K592 IonicContact OD2-NZ 3.35Å; D589-K592 PolarHBondContact OD2-NZ 3.47Å; K592-T594 PolarHBondContact O-N 3.14Å
593	Q	62.2	Low	63.2	Low	60 Å²	60	82.2 Å²	82.2	28%	0.28	44%	0.439	S	S	.	.	H	α-helix	trans	-72.5	-11.5	177.7	-66.3	178.2	22	0	0	113.8	K498 D589 F590 V591	K498-Q593 WeakPolarHBondContact CD-O 3.3Å; D589-Q593 WeakPolarHBondContact O-CG 3.2Å; D589-Q593 PolarHBondContact O-N 2.67Å; F590-Q593 PolarHBondContact O-N 2.89Å; V591-Q593 PolarHBondContact O-N 3.15Å
594	T	63.4	Low	61.7	Low	66 Å²	66	84.9 Å²	84.9	41%	0.405	45%	0.451	S	S	.	.	H	α-helix	trans	-128.9	-15.1	-176.7	59.5	0	0	0	0	115.7	I500 P517 F590 V591 K592	I500-T594 HydrophobicContact CD1-CG2 4.28Å; P517-T594 HydrophobicContact CB-CG2 4.45Å; F590-T594 HydrophobicContact CD2-CG2 4.46Å; F590-T594 HydrophobicContact CE2-CG2 4.12Å; F590-T594 HydrophobicContact CZ-CG2 4.17Å; F590-T594 WeakPolarHBondContact O-CB 3.38Å; F590-T594 WeakPolarHBondContact O-CG2 3.41Å; F590-T594 PolarHBondContact O-N 3.17Å; F590-T594 PolarHBondContact O-OG1 2.9Å; V591-T594 CarbonylContact O-C 3.18Å; V591-T594 PolarHBondContact O-N 3.02Å; V591-T594 PolarHBondContact O-OG1 2.85Å; K592-T594 PolarHBondContact O-N 3.14Å
595	S	56.9	Low	60.7	Low	73 Å²	73	81.9 Å²	81.9	51%	0.51	44%	0.438	S	S	.	.	H	α-helix	trans	-104	-30.4	-170.2	71.1	0	0	0	0	115.3	V591	V591-S595 VanDerWaalsContact O-CB 3.24Å; V591-S595 WeakPolarHBondContact O-CB 3.39Å; V591-S595 PolarHBondContact O-N 2.95Å; V591-S595 PolarHBondContact O-OG 2.89Å
596	E	46.3	Very low	60.2	Low	126 Å²	126	82.1 Å²	82.1	59%	0.589	44%	0.437	S	S	*	.	S	Bend	trans	-83.8	126.8	-179.3	-67.7	-178.3	165	0	0	110	K498	K498-E596 PolarHBondContact NZ-O 2.9Å
597	E	44	Very low	60.1	Low	175 Å²	175	84.8 Å²	84.8	82%	0.818	45%	0.446	S	S	*	.			trans	39.6	105.7	-176	-65.4	-165.1	132	0	0	116.1	P599	E597-P599 WeakPolarHBondContact O-CD 3.29Å
598	K	43.2	Very low	60.2	Low	182 Å²	182	84.6 Å²	84.6	79%	0.791	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-57.5	123.4	139.2	-72.1	-175	174.2	-171.3	0	106.8
599	P	44.5	Very low	60.6	Low	43 Å²	43	81.5 Å²	81.5	28%	0.279	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-57.4	146.9	169	26.1	-33.7	0	0	0	109.1	E597 E601 E604	E597-P599 WeakPolarHBondContact O-CD 3.29Å; P599-E601 PolarHBondContact O-N 3.41Å; P599-E604 HydrophobicContact CB-CG 4.32Å; P599-E604 HydrophobicContact CG-CG 3.8Å; P599-E604 WeakPolarHBondContact CG-OE1 3.21Å
600	V	44.2	Very low	61.4	Low	121 Å²	121	84.9 Å²	84.9	73%	0.733	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-58.7	126.2	-178.3	178.8	0	0	0	0	108.9	G602 D603	V600-G602 PolarHBondContact O-N 3.44Å; V600-D603 PolarHBondContact O-N 2.98Å
601	E	51.3	Low	62	Low	138 Å²	138	85 Å²	85	65%	0.645	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-3.3	-170.2	-62.4	-172	164.4	0	0	115.9	P599	P599-E601 PolarHBondContact O-N 3.41Å
602	G	50	Low	63.2	Low	48 Å²	48	85.3 Å²	85.3	50%	0.495	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-37.7	169.9	0	0	0	0	0	114.3	V600 L605 E606	V600-G602 PolarHBondContact O-N 3.44Å; G602-L605 WeakPolarHBondContact O-CB 3.24Å; G602-L605 PolarHBondContact O-N 2.98Å; G602-E606 PolarHBondContact O-N 3.11Å
603	D	53.2	Low	64.4	Low	90 Å²	90	79.8 Å²	79.8	48%	0.481	42%	0.417	S	S	.	.	H	α-helix	trans	-74.6	-44.8	-165.7	-174.3	52.6	0	0	0	112.6	V600 L605 E606	V600-D603 PolarHBondContact O-N 2.98Å; D603-L605 PolarHBondContact O-N 3.21Å; D603-E606 WeakPolarHBondContact O-CB 3.35Å; D603-E606 PolarHBondContact O-N 3.34Å
604	E	56.7	Low	65.8	Low	56 Å²	56	81.4 Å²	81.4	26%	0.262	43%	0.425	S	S	.	.	H	α-helix	trans	-57	-26.2	173.1	-65.9	-169.2	142.5	0	0	112.9	P599 F608	P599-E604 HydrophobicContact CB-CG 4.32Å; P599-E604 HydrophobicContact CG-CG 3.8Å; P599-E604 WeakPolarHBondContact CG-OE1 3.21Å; E604-F608 WeakPolarHBondContact O-CD2 3.31Å
605	L	65.1	Low	67.1	Low	29 Å²	29	79.9 Å²	79.9	15%	0.152	41%	0.414	C	S	.	.	H	α-helix	trans	-86.3	-17.5	178.8	-131.5	71.7	0	0	0	113.3	G602 D603 F608 N609 L705 R706	G602-L605 WeakPolarHBondContact O-CB 3.24Å; G602-L605 PolarHBondContact O-N 2.98Å; D603-L605 PolarHBondContact O-N 3.21Å; L605-F608 PolarHBondContact O-N 2.89Å; L605-N609 PolarHBondContact O-N 2.79Å; L605-L705 HydrophobicContact CD1-CB 4.05Å; L605-L705 HydrophobicContact CD1-CD1 4Å; L605-L705 HydrophobicContact CD2-CB 4.49Å; L605-L705 HydrophobicContact CG-CB 4.38Å; L605-R706 HydrophobicContact CD2-CG 3.67Å
606	E	73.5	Confident	68.6	Low	108 Å²	108	80.5 Å²	80.5	51%	0.505	42%	0.419	S	S	.	.	H	α-helix	trans	-74.8	-34.7	-178	-175.3	151.1	-173.8	0	0	112.4	G602 D603 F608 N609 H610	G602-E606 PolarHBondContact O-N 3.11Å; D603-E606 WeakPolarHBondContact O-CB 3.35Å; D603-E606 PolarHBondContact O-N 3.34Å; E606-F608 VanDerWaalsContact C-N 3.25Å; E606-F608 PolarHBondContact O-N 2.94Å; E606-N609 VanDerWaalsContact O-CB 3.25Å; E606-N609 WeakPolarHBondContact O-CB 3.37Å; E606-N609 PolarHBondContact O-N 3.45Å; E606-H610 PolarHBondContact O-ND1 3.39Å
607	Y	81.6	Confident	70.7	Confident	84 Å²	84	80.2 Å²	80.2	33%	0.329	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-51.6	-44.7	168	177.4	-113.7	0	0	0	112	N609 H610 I611 L621	Y607-N609 VanDerWaalsContact C-N 3.28Å; Y607-N609 PolarHBondContact O-N 3.16Å; Y607-H610 PolarHBondContact O-N 3.22Å; Y607-I611 HydrophobicContact CD1-CD1 3.79Å; Y607-I611 HydrophobicContact CE1-CD1 3.42Å; Y607-I611 VanDerWaalsContact CE1-CD1 3.42Å; Y607-I611 HydrophobicContact CE2-CD1 4.38Å; Y607-I611 HydrophobicContact CG-CD1 4.42Å; Y607-L621 HydrophobicContact CE1-CD1 4.08Å; Y607-L621 HydrophobicContact CE1-CD2 4.18Å
608	F	83.8	Confident	72.9	Confident	5 Å²	5	71.9 Å²	71.9	2%	0.022	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-74	-9.6	179.4	-66.4	-79.6	0	0	0	114.6	E604 L605 E606 H610 I611 L621 T622 A625 L627 W701 G702 L705	E604-F608 WeakPolarHBondContact O-CD2 3.31Å; L605-F608 PolarHBondContact O-N 2.89Å; E606-F608 VanDerWaalsContact C-N 3.25Å; E606-F608 PolarHBondContact O-N 2.94Å; F608-H610 PolarHBondContact O-N 3.21Å; F608-I611 HydrophobicContact CD1-CD1 3.84Å; F608-I611 HydrophobicContact CE1-CD1 4.23Å; F608-L621 HydrophobicContact CE1-CB 3.85Å; F608-L621 HydrophobicContact CZ-CB 4.13Å; F608-T622 HydrophobicContact CE1-CG2 4.41Å; F608-A625 HydrophobicContact CE2-CB 4.24Å; F608-A625 HydrophobicContact CZ-CB 4.2Å; F608-L627 HydrophobicContact CD2-CD1 4.15Å; F608-L627 HydrophobicContact CE2-CD1 3.57Å; F608-L627 HydrophobicContact CZ-CD1 4.04Å; F608-W701 HydrophobicContact CD1-CB 4.42Å; F608-W701 AromaticContact CD1-CD1 3.58Å; F608-W701 HydrophobicContact CD1-CG 4.33Å; F608-G702 WeakPolarHBondContact O-CA 3.07Å; F608-G702 PolarHBondContact O-N 3.22Å; F608-L705 HydrophobicContact CB-CD1 3.92Å; F608-L705 HydrophobicContact CD1-CD1 4.24Å; F608-L705 HydrophobicContact CD2-CD1 3.87Å; F608-L705 HydrophobicContact CE2-CD1 4.45Å; F608-L705 HydrophobicContact CG-CD1 3.75Å
609	N	83.1	Confident	75.3	Confident	38 Å²	38	64.4 Å²	64.4	20%	0.203	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-65.4	-24.3	170.2	-67.4	-28.7	0	0	0	112.5	L605 E606 Y607 N700 R706	L605-N609 PolarHBondContact O-N 2.79Å; E606-N609 VanDerWaalsContact O-CB 3.25Å; E606-N609 WeakPolarHBondContact O-CB 3.37Å; E606-N609 PolarHBondContact O-N 3.45Å; Y607-N609 VanDerWaalsContact C-N 3.28Å; Y607-N609 PolarHBondContact O-N 3.16Å; N609-N700 WeakPolarHBondContact O-CB 3.47Å; N609-N700 PolarHBondContact O-ND2 3.19Å; N609-R706 PolarHBondContact OD1-NH1 2.89Å; N609-R706 PolarHBondContact OD1-NH2 3.29Å
610	H	81.3	Confident	77.3	Confident	152 Å²	152	67 Å²	67	70%	0.704	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-101.4	1.6	-173.4	-58	93.9	0	0	0	112.9	E606 Y607 F608	E606-H610 PolarHBondContact O-ND1 3.39Å; Y607-H610 PolarHBondContact O-N 3.22Å; F608-H610 PolarHBondContact O-N 3.21Å
611	I	86.9	Confident	79.3	Confident	8 Å²	8	61.5 Å²	61.5	4%	0.041	32%	0.315	C	S	.	.	S	Bend	trans	-107.1	123.3	-178	-65.5	169.1	0	0	0	109.7	Y607 F608 D615 V618 L621 N700 W701	Y607-I611 HydrophobicContact CD1-CD1 3.79Å; Y607-I611 HydrophobicContact CE1-CD1 3.42Å; Y607-I611 VanDerWaalsContact CE1-CD1 3.42Å; Y607-I611 HydrophobicContact CE2-CD1 4.38Å; Y607-I611 HydrophobicContact CG-CD1 4.42Å; F608-I611 HydrophobicContact CD1-CD1 3.84Å; F608-I611 HydrophobicContact CE1-CD1 4.23Å; I611-D615 HydrophobicContact CG2-CB 3.88Å; I611-V618 HydrophobicContact CG2-CG2 3.5Å; I611-L621 HydrophobicContact CD1-CD1 3.76Å; I611-N700 CarbonylContact O-C 3.53Å; I611-N700 VanDerWaalsContact O-CA 3.24Å; I611-N700 WeakPolarHBondContact O-CA 3.23Å; I611-W701 HydrophobicContact CG2-CB 4.5Å; I611-W701 PolarHBondContact O-N 3.34Å
612	S	89.5	Confident	80.9	Confident	74 Å²	74	54.9 Å²	54.9	52%	0.517	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-63.3	148.6	175.6	-57.5	0	0	0	0	112.1	E614 D615 K699	S612-E614 VanDerWaalsContact C-N 3.26Å; S612-E614 PolarHBondContact O-N 2.91Å; S612-D615 WeakPolarHBondContact O-CB 3.39Å; S612-D615 PolarHBondContact O-N 3.18Å; S612-D615 VanDerWaalsContact O-N 3.14Å; S612-K699 VanDerWaalsContact CA-O 3.31Å; S612-K699 WeakPolarHBondContact CA-O 3.39Å
613	I	92	Very high	82.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.1	-178.9	-68.8	167.8	0	0	0	112.5	Q688 L691 Q692 V698 K699 W701 L704	I613-Q688 WeakPolarHBondContact CG2-O 3.4Å; I613-Q688 WeakPolarHBondContact O-CB 3.41Å; I613-Q688 WeakPolarHBondContact O-CG 3.47Å; I613-L691 HydrophobicContact CG2-CB 4.26Å; I613-Q692 HydrophobicContact CB-CB 4.49Å; I613-Q692 HydrophobicContact CG2-CB 4.01Å; I613-V698 HydrophobicContact CD1-CB 4.3Å; I613-V698 HydrophobicContact CD1-CG1 4.09Å; I613-V698 WeakPolarHBondContact CD1-O 3.49Å; I613-K699 PolarHBondContact N-O 3.05Å; I613-W701 HydrophobicContact CB-CE3 4.41Å; I613-W701 HydrophobicContact CG1-CE3 4.34Å; I613-W701 HydrophobicContact CG2-CE3 4.15Å; I613-W701 HydrophobicContact CG2-CZ3 4.1Å; I613-L704 HydrophobicContact CD1-CD1 3.72Å; I613-L704 HydrophobicContact CD1-CD2 4.28Å; I613-L704 HydrophobicContact CD1-CG 3.93Å; I613-L704 HydrophobicContact CG1-CD1 3.76Å; I613-L704 HydrophobicContact CG1-CG 4.19Å; I613-L704 HydrophobicContact CG2-CD1 3.94Å
614	E	92.1	Very high	83.7	Confident	93 Å²	93	54.7 Å²	54.7	44%	0.435	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	10.1	-179.9	-53.8	-166.2	164.9	0	0	114.3	S612 S616 Q692	S612-E614 VanDerWaalsContact C-N 3.26Å; S612-E614 PolarHBondContact O-N 2.91Å; E614-S616 PolarHBondContact O-N 3.21Å; E614-Q692 HydrophobicContact CG-CB 4.01Å; E614-Q692 HydrophobicContact CG-CG 4.15Å; E614-Q692 WeakPolarHBondContact OE1-CB 3.18Å
615	D	90.5	Very high	84.6	Confident	35 Å²	35	53.1 Å²	53.1	19%	0.187	27%	0.266	C	S	.	.			trans	-65.3	120.1	174.6	-178.5	-34.6	0	0	0	109.7	I611 S612 R617 V618 Q688	I611-D615 HydrophobicContact CG2-CB 3.88Å; S612-D615 WeakPolarHBondContact O-CB 3.39Å; S612-D615 PolarHBondContact O-N 3.18Å; S612-D615 VanDerWaalsContact O-N 3.14Å; D615-R617 PolarHBondContact O-N 3.2Å; D615-R617 WeakPolarHBondContact OD1-CB 3.33Å; D615-R617 VanDerWaalsContact OD1-CG 3.31Å; D615-R617 WeakPolarHBondContact OD1-CG 3.44Å; D615-R617 IonicContact OD1-CZ 2.64Å; D615-R617 PolarHBondContact OD1-N 3.19Å; D615-R617 IonicContact OD1-NE 2.63Å; D615-R617 PolarHBondContact OD1-NE 3.24Å; D615-R617 IonicContact OD1-NH2 3.08Å; D615-R617 IonicContact OD2-CZ 2.65Å; D615-R617 IonicContact OD2-NE 2.66Å; D615-R617 PolarHBondContact OD2-NE 2.93Å; D615-R617 VanDerWaalsContact OD2-NE 3.17Å; D615-R617 IonicContact OD2-NH2 3.42Å; D615-R617 PolarHBondContact OD2-NH2 2.91Å; D615-V618 HydrophobicContact CB-CG2 4.04Å; D615-V618 VanDerWaalsContact O-CB 3.29Å; D615-V618 WeakPolarHBondContact O-CB 3.48Å; D615-V618 VanDerWaalsContact O-CG2 3.24Å; D615-V618 WeakPolarHBondContact O-CG2 3.36Å; D615-V618 PolarHBondContact O-N 2.87Å; D615-Q688 PolarHBondContact O-OE1 3.06Å
616	S	88.6	Confident	85	Confident	86 Å²	86	53.6 Å²	53.6	60%	0.601	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.5	-175.8	-67.8	0	0	0	0	113.9	E614	E614-S616 PolarHBondContact O-N 3.21Å
617	R	89.6	Confident	85.5	Confident	119 Å²	119	50.7 Å²	50.7	45%	0.449	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.4	178.1	-55.1	172.8	-65.9	172.7	2.2	113.1	D615 Y619 E620 L621	D615-R617 PolarHBondContact O-N 3.2Å; D615-R617 WeakPolarHBondContact OD1-CB 3.33Å; D615-R617 VanDerWaalsContact OD1-CG 3.31Å; D615-R617 WeakPolarHBondContact OD1-CG 3.44Å; D615-R617 IonicContact OD1-CZ 2.64Å; D615-R617 PolarHBondContact OD1-N 3.19Å; D615-R617 IonicContact OD1-NE 2.63Å; D615-R617 PolarHBondContact OD1-NE 3.24Å; D615-R617 IonicContact OD1-NH2 3.08Å; D615-R617 IonicContact OD2-CZ 2.65Å; D615-R617 IonicContact OD2-NE 2.66Å; D615-R617 PolarHBondContact OD2-NE 2.93Å; D615-R617 VanDerWaalsContact OD2-NE 3.17Å; D615-R617 IonicContact OD2-NH2 3.42Å; D615-R617 PolarHBondContact OD2-NH2 2.91Å; R617-Y619 VanDerWaalsContact C-N 3.25Å; R617-Y619 PolarHBondContact O-N 3.35Å; R617-Y619 VanDerWaalsContact O-N 3.15Å; R617-E620 PolarHBondContact O-N 3.47Å; R617-L621 HydrophobicContact CB-CD1 3.74Å; R617-L621 HydrophobicContact CB-CG 4.16Å; R617-L621 WeakPolarHBondContact O-CG 3.45Å; R617-L621 PolarHBondContact O-N 3.1Å
618	V	91.1	Very high	85.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-51.7	-41.7	-175.6	165.6	0	0	0	0	112.4	I611 D615 L621 T622 P630 W701	I611-V618 HydrophobicContact CG2-CG2 3.5Å; D615-V618 HydrophobicContact CB-CG2 4.04Å; D615-V618 VanDerWaalsContact O-CB 3.29Å; D615-V618 WeakPolarHBondContact O-CB 3.48Å; D615-V618 VanDerWaalsContact O-CG2 3.24Å; D615-V618 WeakPolarHBondContact O-CG2 3.36Å; D615-V618 PolarHBondContact O-N 2.87Å; V618-L621 PolarHBondContact O-N 3.11Å; V618-T622 HydrophobicContact CG1-CG2 4.37Å; V618-T622 WeakPolarHBondContact O-CB 3.34Å; V618-T622 WeakPolarHBondContact O-CG2 3.34Å; V618-T622 PolarHBondContact O-N 3.47Å; V618-T622 PolarHBondContact O-OG1 2.67Å; V618-P630 HydrophobicContact CG1-CG 3.78Å; V618-W701 HydrophobicContact CG1-CD2 3.42Å; V618-W701 VanDerWaalsContact CG1-CD2 3.42Å; V618-W701 HydrophobicContact CG1-CE3 3.65Å; V618-W701 HydrophobicContact CG1-CG 3.92Å; V618-W701 HydrophobicContact CG1-CH2 4.21Å; V618-W701 HydrophobicContact CG1-CZ2 3.94Å; V618-W701 HydrophobicContact CG1-CZ3 4.04Å; V618-W701 HydrophobicContact CG2-CB 4.47Å; V618-W701 HydrophobicContact CG2-CD2 4.43Å; V618-W701 HydrophobicContact CG2-CG 4.36Å
619	Y	92.3	Very high	86.1	Confident	25 Å²	25	49.5 Å²	49.5	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-66.7	-38.8	179	176.4	-128.6	0	0	0	112.8	R617 T622 N623 R680 Q684	R617-Y619 VanDerWaalsContact C-N 3.25Å; R617-Y619 PolarHBondContact O-N 3.35Å; R617-Y619 VanDerWaalsContact O-N 3.15Å; Y619-T622 PolarHBondContact O-OG1 3.36Å; Y619-N623 WeakPolarHBondContact CE2-ND2 3.36Å; Y619-N623 WeakPolarHBondContact CE2-OD1 3.41Å; Y619-N623 WeakPolarHBondContact O-CB 3.45Å; Y619-N623 VanDerWaalsContact O-CG 3.3Å; Y619-N623 PolarHBondContact O-N 3.14Å; Y619-N623 PolarHBondContact O-ND2 2.81Å; Y619-N623 PolarHBondContact OH-ND2 2.7Å; Y619-R680 PolarHBondContact OH-NE 2.9Å; Y619-Q684 HydrophobicContact CD1-CB 4.2Å; Y619-Q684 HydrophobicContact CD1-CG 4.01Å; Y619-Q684 HydrophobicContact CD2-CB 4.06Å; Y619-Q684 HydrophobicContact CD2-CG 3.58Å; Y619-Q684 HydrophobicContact CE1-CG 4.06Å; Y619-Q684 HydrophobicContact CE2-CG 3.65Å; Y619-Q684 HydrophobicContact CG-CB 3.85Å; Y619-Q684 HydrophobicContact CG-CG 3.78Å
620	E	86.8	Confident	86.7	Confident	98 Å²	98	47.7 Å²	47.7	46%	0.458	26%	0.255	S	S	.	.	H	α-helix	trans	-71.4	-41.3	176.1	-63.2	-171	-171.9	0	0	111.6	R617 K624	R617-E620 PolarHBondContact O-N 3.47Å; E620-K624 VanDerWaalsContact O-CB 3.3Å; E620-K624 WeakPolarHBondContact O-CB 3.21Å; E620-K624 WeakPolarHBondContact O-CD 3.39Å; E620-K624 WeakPolarHBondContact O-CG 3.46Å; E620-K624 PolarHBondContact O-N 3.19Å
621	L	86.1	Confident	87.3	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-69.2	-39.2	-178.8	-65.3	171.4	0	0	0	112	Y607 F608 I611 R617 V618 K624 A625	Y607-L621 HydrophobicContact CE1-CD1 4.08Å; Y607-L621 HydrophobicContact CE1-CD2 4.18Å; F608-L621 HydrophobicContact CE1-CB 3.85Å; F608-L621 HydrophobicContact CZ-CB 4.13Å; I611-L621 HydrophobicContact CD1-CD1 3.76Å; R617-L621 HydrophobicContact CB-CD1 3.74Å; R617-L621 HydrophobicContact CB-CG 4.16Å; R617-L621 WeakPolarHBondContact O-CG 3.45Å; R617-L621 PolarHBondContact O-N 3.1Å; V618-L621 PolarHBondContact O-N 3.11Å; L621-K624 PolarHBondContact O-N 3.43Å; L621-A625 WeakPolarHBondContact O-CB 3.14Å; L621-A625 PolarHBondContact O-N 2.93Å
622	T	85.4	Confident	87.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-48.4	172.8	44.5	0	0	0	0	111.9	F608 V618 Y619 K624 A625 G626 L627 W701	F608-T622 HydrophobicContact CE1-CG2 4.41Å; V618-T622 HydrophobicContact CG1-CG2 4.37Å; V618-T622 WeakPolarHBondContact O-CB 3.34Å; V618-T622 WeakPolarHBondContact O-CG2 3.34Å; V618-T622 PolarHBondContact O-N 3.47Å; V618-T622 PolarHBondContact O-OG1 2.67Å; Y619-T622 PolarHBondContact O-OG1 3.36Å; T622-K624 VanDerWaalsContact C-N 3.3Å; T622-K624 PolarHBondContact O-N 3.43Å; T622-A625 PolarHBondContact O-N 2.96Å; T622-G626 PolarHBondContact O-N 2.94Å; T622-L627 HydrophobicContact CG2-CB 4.36Å; T622-L627 PolarHBondContact O-N 3.09Å; T622-W701 HydrophobicContact CG2-CZ2 4.32Å
623	N	83.9	Confident	87.6	Confident	76 Å²	76	42.4 Å²	42.4	41%	0.406	22%	0.221	S	C	.	.	H	α-helix	trans	-56.5	-42.5	173.8	-80.3	-11	0	0	0	112.3	Y619 G626	Y619-N623 WeakPolarHBondContact CE2-ND2 3.36Å; Y619-N623 WeakPolarHBondContact CE2-OD1 3.41Å; Y619-N623 WeakPolarHBondContact O-CB 3.45Å; Y619-N623 VanDerWaalsContact O-CG 3.3Å; Y619-N623 PolarHBondContact O-N 3.14Å; Y619-N623 PolarHBondContact O-ND2 2.81Å; Y619-N623 PolarHBondContact OH-ND2 2.7Å; N623-G626 PolarHBondContact O-N 3.42Å
624	K	77.1	Confident	87.6	Confident	57 Å²	57	42.4 Å²	42.4	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-47.4	177.7	-79.7	164.3	165.9	-176.3	0	111.3	L493 Q497 N516 E620 L621 T622 G626	L493-K624 HydrophobicContact CD2-CD 3.53Å; L493-K624 HydrophobicContact CD2-CG 4.26Å; Q497-K624 PolarHBondContact NE2-O 2.94Å; N516-K624 PolarHBondContact ND2-O 2.82Å; E620-K624 VanDerWaalsContact O-CB 3.3Å; E620-K624 WeakPolarHBondContact O-CB 3.21Å; E620-K624 WeakPolarHBondContact O-CD 3.39Å; E620-K624 WeakPolarHBondContact O-CG 3.46Å; E620-K624 PolarHBondContact O-N 3.19Å; L621-K624 PolarHBondContact O-N 3.43Å; T622-K624 VanDerWaalsContact C-N 3.3Å; T622-K624 PolarHBondContact O-N 3.43Å; K624-G626 PolarHBondContact O-N 3.36Å
625	A	76.2	Confident	87.4	Confident	24 Å²	24	41.5 Å²	41.5	20%	0.198	22%	0.217	C	C	.	.	H	α-helix	trans	-70.5	-6.6	178.1	0	0	0	0	0	114.1	F608 L621 T622 L627	F608-A625 HydrophobicContact CE2-CB 4.24Å; F608-A625 HydrophobicContact CZ-CB 4.2Å; L621-A625 WeakPolarHBondContact O-CB 3.14Å; L621-A625 PolarHBondContact O-N 2.93Å; T622-A625 PolarHBondContact O-N 2.96Å; A625-L627 HydrophobicContact CB-CB 4.48Å; A625-L627 HydrophobicContact CB-CD1 3.79Å; A625-L627 HydrophobicContact CB-CG 3.76Å; A625-L627 PolarHBondContact O-N 3.48Å
626	G	74.4	Confident	87.3	Confident	38 Å²	38	41.4 Å²	41.4	39%	0.392	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	20	-174	0	0	0	0	0	113.4	T622 N623 K624	T622-G626 PolarHBondContact O-N 2.94Å; N623-G626 PolarHBondContact O-N 3.42Å; K624-G626 PolarHBondContact O-N 3.36Å
627	L	82.8	Confident	87.2	Confident	48 Å²	48	37.3 Å²	37.3	25%	0.251	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-91.9	160.1	-179.4	-61.7	176.3	0	0	0	111.3	F608 T622 A625 S629 L705	F608-L627 HydrophobicContact CD2-CD1 4.15Å; F608-L627 HydrophobicContact CE2-CD1 3.57Å; F608-L627 HydrophobicContact CZ-CD1 4.04Å; T622-L627 HydrophobicContact CG2-CB 4.36Å; T622-L627 PolarHBondContact O-N 3.09Å; A625-L627 HydrophobicContact CB-CB 4.48Å; A625-L627 HydrophobicContact CB-CD1 3.79Å; A625-L627 HydrophobicContact CB-CG 3.76Å; A625-L627 PolarHBondContact O-N 3.48Å; L627-S629 PolarHBondContact O-N 2.96Å; L627-L705 HydrophobicContact CB-CD2 4.35Å; L627-L705 HydrophobicContact CD1-CD1 3.8Å; L627-L705 HydrophobicContact CD1-CD2 4.29Å
628	L	87.3	Confident	87	Confident	57 Å²	57	32.7 Å²	32.7	30%	0.298	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-57.5	126.9	176.6	-73.6	157.1	0	0	0	111.1	Q632 I633	L628-Q632 HydrophobicContact CB-CB 4.3Å; L628-Q632 HydrophobicContact CD2-CB 3.8Å; L628-Q632 HydrophobicContact CD2-CG 4.42Å; L628-I633 HydrophobicContact CB-CD1 3.75Å; L628-I633 HydrophobicContact CB-CG1 3.92Å; L628-I633 HydrophobicContact CD1-CD1 4.27Å
629	S	91.9	Very high	86.6	Confident	7 Å²	7	38.2 Å²	38.2	5%	0.049	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-69.1	161	179	67.7	0	0	0	0	112	L627 Y631 Q632 I633 Q684	L627-S629 PolarHBondContact O-N 2.96Å; S629-Y631 VanDerWaalsContact C-N 3.31Å; S629-Y631 PolarHBondContact O-N 2.9Å; S629-Q632 WeakPolarHBondContact O-CA 3.5Å; S629-Q632 WeakPolarHBondContact O-CB 3.39Å; S629-Q632 PolarHBondContact O-N 3.49Å; S629-Q632 PolarHBondContact OG-OE1 3.48Å; S629-I633 PolarHBondContact O-N 3.14Å; S629-Q684 PolarHBondContact OG-NE2 3.35Å
630	P	94.9	Very high	86.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-53.1	-39.6	-177.4	-31.5	36.6	0	0	0	116.4	V618 Q632 I633 L634 Q684 Q688 L691 W701	V618-P630 HydrophobicContact CG1-CG 3.78Å; P630-Q632 VanDerWaalsContact C-N 3.33Å; P630-Q632 PolarHBondContact O-N 2.88Å; P630-I633 PolarHBondContact O-N 3.33Å; P630-L634 WeakPolarHBondContact O-CB 3.49Å; P630-L634 PolarHBondContact O-N 3.19Å; P630-Q684 VanDerWaalsContact CD-OE1 3.24Å; P630-Q688 HydrophobicContact CB-CG 3.79Å; P630-Q688 HydrophobicContact CG-CG 3.88Å; P630-L691 WeakPolarHBondContact O-CD1 3.37Å; P630-W701 HydrophobicContact CB-CH2 3.75Å; P630-W701 HydrophobicContact CB-CZ2 4.34Å; P630-W701 HydrophobicContact CB-CZ3 4.42Å; P630-W701 HydrophobicContact CG-CH2 3.79Å; P630-W701 HydrophobicContact CG-CZ2 3.99Å; P630-W701 HydrophobicContact CG-CZ3 4.42Å
631	Y	94	Very high	85.4	Confident	34 Å²	34	39.3 Å²	39.3	13%	0.133	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-35.2	175.5	-175.7	-116.6	0	0	0	112.7	S629 L634 H635 I649 M665 K683 S687	S629-Y631 VanDerWaalsContact C-N 3.31Å; S629-Y631 PolarHBondContact O-N 2.9Å; Y631-L634 PolarHBondContact O-N 3.23Å; Y631-H635 AromaticContact CD1-CD2 3.85Å; Y631-H635 AromaticContact CE1-CD2 3.5Å; Y631-H635 VanDerWaalsContact CE1-CD2 3.5Å; Y631-H635 WeakPolarHBondContact CE1-CD2 3.36Å; Y631-H635 AromaticContact CE1-NE2 3.43Å; Y631-H635 WeakPolarHBondContact CE1-NE2 3.36Å; Y631-H635 AromaticContact CE2-CD2 3.89Å; Y631-H635 AromaticContact CE2-NE2 3.85Å; Y631-H635 AromaticContact CZ-CD2 3.53Å; Y631-H635 AromaticContact CZ-NE2 3.19Å; Y631-H635 PolarHBondContact O-CD2 3.14Å; Y631-H635 PolarHBondContact O-N 2.9Å; Y631-H635 PolarHBondContact OH-NE2 3.43Å; Y631-I649 HydrophobicContact CE2-CD1 4.16Å; Y631-I649 HydrophobicContact CE2-CG2 4.44Å; Y631-M665 HydrophobicContact CD2-CE 4.23Å; Y631-M665 HydrophobicContact CE2-CE 4.24Å; Y631-K683 HydrophobicContact CD1-CD 3.75Å; Y631-K683 HydrophobicContact CD2-CD 3.87Å; Y631-K683 HydrophobicContact CD2-CG 3.79Å; Y631-K683 HydrophobicContact CE1-CD 3.78Å; Y631-K683 VanDerWaalsContact CE1-NZ 3.35Å; Y631-K683 HydrophobicContact CE2-CD 3.91Å; Y631-K683 HydrophobicContact CE2-CG 4.03Å; Y631-K683 HydrophobicContact CG-CD 3.77Å; Y631-K683 HydrophobicContact CG-CG 4.03Å; Y631-K683 PolarHBondContact OH-NZ 3.5Å; Y631-S687 WeakPolarHBondContact CA-OG 3.35Å; Y631-S687 WeakPolarHBondContact CD2-OG 3.37Å
632	Q	91.9	Very high	84.1	Confident	88 Å²	88	45.3 Å²	45.3	41%	0.411	23%	0.227	S	C	.	.	H	α-helix	trans	-73.5	-36.4	176.1	-66	164.7	-48.4	0	0	111.7	L628 S629 P630 H635 E636	L628-Q632 HydrophobicContact CB-CB 4.3Å; L628-Q632 HydrophobicContact CD2-CB 3.8Å; L628-Q632 HydrophobicContact CD2-CG 4.42Å; S629-Q632 WeakPolarHBondContact O-CA 3.5Å; S629-Q632 WeakPolarHBondContact O-CB 3.39Å; S629-Q632 PolarHBondContact O-N 3.49Å; S629-Q632 PolarHBondContact OG-OE1 3.48Å; P630-Q632 VanDerWaalsContact C-N 3.33Å; P630-Q632 PolarHBondContact O-N 2.88Å; Q632-H635 PolarHBondContact O-N 2.92Å; Q632-E636 WeakPolarHBondContact O-CB 3.47Å; Q632-E636 PolarHBondContact O-N 2.98Å
633	I	91.3	Very high	82.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.7	-36.5	172.5	-68.2	-68.7	0	0	0	111.2	L628 S629 P630 C637 L691 W701 L704 L705 Y708	L628-I633 HydrophobicContact CB-CD1 3.75Å; L628-I633 HydrophobicContact CB-CG1 3.92Å; L628-I633 HydrophobicContact CD1-CD1 4.27Å; S629-I633 PolarHBondContact O-N 3.14Å; P630-I633 PolarHBondContact O-N 3.33Å; I633-C637 WeakPolarHBondContact O-CB 3.48Å; I633-C637 PolarHBondContact O-N 3.13Å; I633-L691 HydrophobicContact CB-CD1 4.16Å; I633-L691 HydrophobicContact CG2-CD1 3.73Å; I633-L691 HydrophobicContact CG2-CD2 4.03Å; I633-W701 HydrophobicContact CB-CH2 4.09Å; I633-W701 HydrophobicContact CB-CZ2 4.17Å; I633-W701 HydrophobicContact CG1-CH2 4.31Å; I633-W701 HydrophobicContact CG1-CZ2 3.87Å; I633-W701 HydrophobicContact CG2-CH2 4.04Å; I633-W701 HydrophobicContact CG2-CZ2 4.33Å; I633-L704 HydrophobicContact CG2-CB 4.2Å; I633-L705 HydrophobicContact CD1-CD2 4.31Å; I633-Y708 HydrophobicContact CG2-CD2 4.26Å; I633-Y708 HydrophobicContact CG2-CG 4.5Å
634	L	91.4	Very high	81.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-51	171.7	175.4	57	0	0	0	111.5	P630 Y631 E636 C637 L638 I649 M665 I690 L691 L694	P630-L634 WeakPolarHBondContact O-CB 3.49Å; P630-L634 PolarHBondContact O-N 3.19Å; Y631-L634 PolarHBondContact O-N 3.23Å; L634-E636 VanDerWaalsContact C-N 3.32Å; L634-E636 PolarHBondContact O-N 3.28Å; L634-C637 WeakPolarHBondContact O-CB 3.38Å; L634-C637 PolarHBondContact O-N 3.06Å; L634-C637 VanDerWaalsContact O-N 3.1Å; L634-L638 HydrophobicContact CD1-CG 4.32Å; L634-L638 PolarHBondContact O-N 2.86Å; L634-I649 HydrophobicContact CD2-CD1 4.09Å; L634-I649 HydrophobicContact CG-CD1 4.14Å; L634-M665 HydrophobicContact CD2-SD 4Å; L634-I690 HydrophobicContact CD1-CB 4.47Å; L634-I690 HydrophobicContact CD1-CG2 3.59Å; L634-I690 HydrophobicContact CD2-CB 4.15Å; L634-I690 HydrophobicContact CD2-CG2 3.91Å; L634-I690 HydrophobicContact CG-CG2 4.43Å; L634-L691 HydrophobicContact CB-CD1 4.19Å; L634-L691 HydrophobicContact CB-CD2 4.37Å; L634-L691 HydrophobicContact CB-CG 4.09Å; L634-L691 HydrophobicContact CD1-CD2 4.37Å; L634-L691 HydrophobicContact CD1-CG 4.34Å; L634-L694 HydrophobicContact CD1-CD1 3.59Å
635	H	87.8	Confident	80.5	Confident	75 Å²	75	53.2 Å²	53.2	35%	0.347	30%	0.303	S	S	.	.	H	α-helix	trans	-53.8	-46.5	174.5	-97.2	-75.3	0	0	0	112.1	Y631 Q632 C637 L638 K639	Y631-H635 AromaticContact CD1-CD2 3.85Å; Y631-H635 AromaticContact CE1-CD2 3.5Å; Y631-H635 VanDerWaalsContact CE1-CD2 3.5Å; Y631-H635 WeakPolarHBondContact CE1-CD2 3.36Å; Y631-H635 AromaticContact CE1-NE2 3.43Å; Y631-H635 WeakPolarHBondContact CE1-NE2 3.36Å; Y631-H635 AromaticContact CE2-CD2 3.89Å; Y631-H635 AromaticContact CE2-NE2 3.85Å; Y631-H635 AromaticContact CZ-CD2 3.53Å; Y631-H635 AromaticContact CZ-NE2 3.19Å; Y631-H635 PolarHBondContact O-CD2 3.14Å; Y631-H635 PolarHBondContact O-N 2.9Å; Y631-H635 PolarHBondContact OH-NE2 3.43Å; Q632-H635 PolarHBondContact O-N 2.92Å; H635-C637 VanDerWaalsContact C-N 3.31Å; H635-C637 PolarHBondContact O-N 2.73Å; H635-L638 PolarHBondContact O-N 3.04Å; H635-K639 WeakPolarHBondContact O-CB 3.44Å; H635-K639 PolarHBondContact O-N 3.25Å
636	E	87.6	Confident	79.7	Confident	32 Å²	32	57.5 Å²	57.5	15%	0.15	32%	0.323	C	S	.	.	H	α-helix	trans	-74.1	-20.9	179.8	-157.1	60.1	-106.3	0	0	113.5	Q632 L634 K639 R640 E711	Q632-E636 WeakPolarHBondContact O-CB 3.47Å; Q632-E636 PolarHBondContact O-N 2.98Å; L634-E636 VanDerWaalsContact C-N 3.32Å; L634-E636 PolarHBondContact O-N 3.28Å; E636-K639 WeakPolarHBondContact OE1-CB 3.47Å; E636-K639 WeakPolarHBondContact OE1-CG 3.48Å; E636-K639 IonicContact OE1-NZ 3.49Å; E636-K639 PolarHBondContact OE1-NZ 3.25Å; E636-K639 IonicContact OE2-NZ 3.52Å; E636-K639 PolarHBondContact OE2-NZ 2.89Å; E636-R640 WeakPolarHBondContact O-CG 3.41Å; E636-R640 PolarHBondContact O-N 2.94Å; E636-E711 WeakPolarHBondContact CG-OE2 3.39Å
637	C	87.3	Confident	79.4	Confident	1 Å²	1	59 Å²	59	1%	0.007	32%	0.324	C	S	.	.	H	α-helix	trans	-68.4	-50.5	167.4	-179.6	0	0	0	0	111.1	I633 L634 H635 K639 R640 N641 L691 H695 Y708	I633-C637 WeakPolarHBondContact O-CB 3.48Å; I633-C637 PolarHBondContact O-N 3.13Å; L634-C637 WeakPolarHBondContact O-CB 3.38Å; L634-C637 PolarHBondContact O-N 3.06Å; L634-C637 VanDerWaalsContact O-N 3.1Å; H635-C637 VanDerWaalsContact C-N 3.31Å; H635-C637 PolarHBondContact O-N 2.73Å; C637-K639 PolarHBondContact O-N 3.17Å; C637-R640 PolarHBondContact O-N 3.31Å; C637-N641 WeakPolarHBondContact O-CB 3.28Å; C637-N641 PolarHBondContact O-N 2.7Å; C637-N641 PolarHBondContact O-ND2 3.27Å; C637-N641 PolarHBondContact SG-ND2 2.65Å; C637-L691 HydrophobicContact CB-CD2 4.19Å; C637-H695 PolarHBondContact SG-NE2 3.45Å; C637-Y708 HydrophobicContact CB-CD1 4.07Å; C637-Y708 HydrophobicContact CB-CD2 4.35Å; C637-Y708 HydrophobicContact CB-CE1 3.82Å; C637-Y708 HydrophobicContact CB-CE2 4.09Å; C637-Y708 HydrophobicContact CB-CG 4.35Å; C637-Y708 VanDerWaalsContact SG-CZ 3.58Å; C637-Y708 PolarHBondContact SG-OH 2.7Å
638	L	85.5	Confident	79.3	Confident	21 Å²	21	59.9 Å²	59.9	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-44.4	175.4	-62.5	-178.6	0	0	0	111.7	L634 H635 R640 N641 H642 T647 I649	L634-L638 HydrophobicContact CD1-CG 4.32Å; L634-L638 PolarHBondContact O-N 2.86Å; H635-L638 PolarHBondContact O-N 3.04Å; L638-R640 PolarHBondContact O-N 3.02Å; L638-R640 VanDerWaalsContact O-N 3.12Å; L638-N641 CarbonylContact O-C 3.59Å; L638-N641 WeakPolarHBondContact O-CA 3.46Å; L638-N641 PolarHBondContact O-N 2.78Å; L638-H642 PolarHBondContact O-CD2 2.74Å; L638-H642 PolarHBondContact O-N 3.42Å; L638-T647 HydrophobicContact CB-CG2 3.92Å; L638-I649 HydrophobicContact CD1-CD1 3.7Å; L638-I649 HydrophobicContact CD1-CG1 3.61Å
639	K	82.8	Confident	79.4	Confident	116 Å²	116	58.9 Å²	58.9	50%	0.504	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-17.4	-177.7	-177.9	160.6	150.2	-82.8	0	114.7	H635 E636 C637 H642	H635-K639 WeakPolarHBondContact O-CB 3.44Å; H635-K639 PolarHBondContact O-N 3.25Å; E636-K639 WeakPolarHBondContact OE1-CB 3.47Å; E636-K639 WeakPolarHBondContact OE1-CG 3.48Å; E636-K639 IonicContact OE1-NZ 3.49Å; E636-K639 PolarHBondContact OE1-NZ 3.25Å; E636-K639 IonicContact OE2-NZ 3.52Å; E636-K639 PolarHBondContact OE2-NZ 2.89Å; C637-K639 PolarHBondContact O-N 3.17Å; K639-H642 VanDerWaalsContact C-CD2 3.47Å; K639-H642 VanDerWaalsContact CA-CD2 3.46Å; K639-H642 WeakPolarHBondContact CA-CD2 3.49Å; K639-H642 WeakPolarHBondContact CA-NE2 3.4Å; K639-H642 PolarHBondContact O-CD2 3.28Å
640	R	81.4	Confident	79.4	Confident	86 Å²	86	65.7 Å²	65.7	33%	0.325	36%	0.358	S	S	.	.	H	α-helix	trans	-99.9	-14	170.8	-63.5	178.6	-168.3	168.2	14.8	113.9	E636 C637 L638 M707 Y708 E711	E636-R640 WeakPolarHBondContact O-CG 3.41Å; E636-R640 PolarHBondContact O-N 2.94Å; C637-R640 PolarHBondContact O-N 3.31Å; L638-R640 PolarHBondContact O-N 3.02Å; L638-R640 VanDerWaalsContact O-N 3.12Å; R640-M707 PolarHBondContact NH1-O 2.85Å; R640-Y708 PolarHBondContact NH2-O 2.78Å; R640-E711 IonicContact CZ-OE1 3.15Å; R640-E711 IonicContact CZ-OE2 2.67Å; R640-E711 IonicContact NE-OE1 2.67Å; R640-E711 PolarHBondContact NE-OE1 3.22Å; R640-E711 IonicContact NE-OE2 2.71Å; R640-E711 PolarHBondContact NE-OE2 3.36Å; R640-E711 IonicContact NH2-OE1 2.65Å; R640-E711 IonicContact NH2-OE2 2.66Å; R640-E711 PolarHBondContact NH2-OE2 2.92Å
641	N	71.9	Confident	79.3	Confident	60 Å²	60	67.8 Å²	67.8	32%	0.321	37%	0.367	S	S	.	.			trans	-110.1	27.7	-176.2	-69	-34.4	0	0	0	112.9	C637 L638 G643 M644	C637-N641 WeakPolarHBondContact O-CB 3.28Å; C637-N641 PolarHBondContact O-N 2.7Å; C637-N641 PolarHBondContact O-ND2 3.27Å; C637-N641 PolarHBondContact SG-ND2 2.65Å; L638-N641 CarbonylContact O-C 3.59Å; L638-N641 WeakPolarHBondContact O-CA 3.46Å; L638-N641 PolarHBondContact O-N 2.78Å; N641-G643 PolarHBondContact O-N 3.42Å; N641-M644 HydrophobicContact CB-CB 4.4Å; N641-M644 VanDerWaalsContact O-CB 3.31Å; N641-M644 WeakPolarHBondContact O-CB 3.31Å; N641-M644 PolarHBondContact O-N 3.3Å
642	H	60.1	Low	79.3	Confident	131 Å²	131	71.5 Å²	71.5	61%	0.606	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-11.3	-179.2	-87.7	-121.9	0	0	0	116.3	L638 K639	L638-H642 PolarHBondContact O-CD2 2.74Å; L638-H642 PolarHBondContact O-N 3.42Å; K639-H642 VanDerWaalsContact C-CD2 3.47Å; K639-H642 VanDerWaalsContact CA-CD2 3.46Å; K639-H642 WeakPolarHBondContact CA-CD2 3.49Å; K639-H642 WeakPolarHBondContact CA-NE2 3.4Å; K639-H642 PolarHBondContact O-CD2 3.28Å
643	G	58.7	Low	79.3	Confident	87 Å²	87	69.3 Å²	69.3	90%	0.897	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	7.7	175.1	0	0	0	0	0	115.4	N641	N641-G643 PolarHBondContact O-N 3.42Å
644	M	56.2	Low	79.2	Confident	154 Å²	154	73.1 Å²	73.1	76%	0.759	40%	0.398	S	S	*	.	S	Bend	trans	-105.3	0.8	-166.3	-146.4	167.3	-168.5	0	0	115.7	N641	N641-M644 HydrophobicContact CB-CB 4.4Å; N641-M644 VanDerWaalsContact O-CB 3.31Å; N641-M644 WeakPolarHBondContact O-CB 3.31Å; N641-M644 PolarHBondContact O-N 3.3Å
645	G	55.3	Low	79.1	Confident	59 Å²	59	78.4 Å²	78.4	61%	0.608	43%	0.432	S	S	*	.	S	Bend	trans	90.5	142	-178.8	0	0	0	0	0	113.6
646	D	58.4	Low	78.8	Confident	113 Å²	113	76.2 Å²	76.2	60%	0.604	43%	0.429	S	S	*	.			trans	44.3	71.3	172	-56.5	-19.9	0	0	0	117.2	S648 G668	D646-S648 PolarHBondContact O-N 2.94Å; D646-G668 VanDerWaalsContact CB-CA 3.42Å; D646-G668 PolarHBondContact O-N 3.17Å
647	T	68.6	Low	78.2	Confident	69 Å²	69	84.7 Å²	84.7	42%	0.423	47%	0.466	S	S	.	.			trans	-67	-0.7	174.2	-21.5	0	0	0	0	114.7	L638	L638-T647 HydrophobicContact CB-CG2 3.92Å
648	S	81.1	Confident	77.4	Confident	67 Å²	67	91.2 Å²	91.2	47%	0.469	50%	0.501	S	S	.	.			trans	-79.6	127.1	-175.3	76.2	0	0	0	0	112.1	D646 G668	D646-S648 PolarHBondContact O-N 2.94Å; S648-G668 PolarHBondContact O-N 2.67Å
649	I	89	Confident	76.7	Confident	37 Å²	37	99 Å²	99	19%	0.19	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.7	168.8	-53.5	172.8	0	0	0	108.2	Y631 L634 L638 M665 T666	Y631-I649 HydrophobicContact CE2-CD1 4.16Å; Y631-I649 HydrophobicContact CE2-CG2 4.44Å; L634-I649 HydrophobicContact CD2-CD1 4.09Å; L634-I649 HydrophobicContact CG-CD1 4.14Å; L638-I649 HydrophobicContact CD1-CD1 3.7Å; L638-I649 HydrophobicContact CD1-CG1 3.61Å; I649-M665 HydrophobicContact CG2-CE 4.15Å; I649-M665 HydrophobicContact CG2-CG 3.91Å; I649-M665 HydrophobicContact CG2-SD 4.02Å; I649-T666 CarbonylContact C-O 3.4Å; I649-T666 WeakPolarHBondContact CA-O 3.49Å
650	K	91.3	Very high	76.4	Confident	150 Å²	150	99.9 Å²	99.9	65%	0.652	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.3	167.3	-65	-177.6	-179.7	179.9	0	108.7	M665 T666	K650-M665 CarbonylContact O-C 3.56Å; K650-M665 VanDerWaalsContact O-CA 3.31Å; K650-M665 WeakPolarHBondContact O-CA 3.32Å; K650-T666 PolarHBondContact N-O 3.07Å; K650-T666 PolarHBondContact O-N 3.49Å
651	F	94.2	Very high	76.8	Confident	43 Å²	43	97 Å²	97	19%	0.189	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	119.8	-178.5	176.8	-106.3	0	0	0	111.4	V653 V664 M665 K679 K683 A686	F651-V653 HydrophobicContact CE1-CG2 3.65Å; F651-V653 HydrophobicContact CE2-CG2 4.31Å; F651-V653 HydrophobicContact CZ-CG2 3.45Å; F651-V653 VanDerWaalsContact CZ-CG2 3.45Å; F651-V664 WeakPolarHBondContact CA-O 3.27Å; F651-V664 WeakPolarHBondContact CD2-O 3.44Å; F651-M665 HydrophobicContact CB-CE 4.1Å; F651-M665 HydrophobicContact CD2-CB 4.01Å; F651-M665 HydrophobicContact CD2-CE 3.62Å; F651-M665 HydrophobicContact CD2-CG 4.37Å; F651-M665 HydrophobicContact CE2-CE 4.33Å; F651-M665 HydrophobicContact CG-CE 4.01Å; F651-K679 HydrophobicContact CE1-CG 3.88Å; F651-K683 HydrophobicContact CD1-CB 4.25Å; F651-K683 HydrophobicContact CD1-CG 4.31Å; F651-K683 HydrophobicContact CE1-CB 3.77Å; F651-K683 HydrophobicContact CE1-CG 4.33Å; F651-K683 HydrophobicContact CE2-CB 4.24Å; F651-K683 VanDerWaalsContact CZ-CA 3.45Å; F651-K683 HydrophobicContact CZ-CB 3.78Å; F651-A686 HydrophobicContact CE2-CB 4.28Å
652	E	92.7	Very high	77.8	Confident	112 Å²	112	96.5 Å²	96.5	52%	0.523	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	157.7	-179.8	61.1	-178.3	-178.7	0	0	111	Y663 V664	E652-Y663 WeakPolarHBondContact O-CA 3.19Å; E652-V664 HydrophobicContact CG-CB 3.66Å; E652-V664 HydrophobicContact CG-CG2 4.17Å; E652-V664 PolarHBondContact N-O 3.38Å; E652-V664 PolarHBondContact O-N 3.43Å; E652-V664 WeakPolarHBondContact OE1-CB 3.47Å
653	V	92.7	Very high	79.5	Confident	43 Å²	43	90.6 Å²	90.6	26%	0.261	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	117.9	179.4	177	0	0	0	0	108.7	F651 E662 K679	F651-V653 HydrophobicContact CE1-CG2 3.65Å; F651-V653 HydrophobicContact CE2-CG2 4.31Å; F651-V653 HydrophobicContact CZ-CG2 3.45Å; F651-V653 VanDerWaalsContact CZ-CG2 3.45Å; V653-E662 CarbonylContact C-O 3.44Å; V653-E662 WeakPolarHBondContact CA-O 3.31Å; V653-K679 HydrophobicContact CG2-CB 4.33Å; V653-K679 HydrophobicContact CG2-CG 3.99Å
654	I	90.3	Very high	81.2	Confident	80 Å²	80	86.7 Å²	86.7	41%	0.41	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	113.6	-176	-58.3	167.5	0	0	0	107.5	G656 S661 E662 V664	I654-G656 PolarHBondContact O-N 2.83Å; I654-S661 CarbonylContact O-C 3.6Å; I654-S661 WeakPolarHBondContact O-CA 3.24Å; I654-E662 HydrophobicContact CB-CB 4.4Å; I654-E662 PolarHBondContact N-O 3.17Å; I654-E662 PolarHBondContact O-N 3.44Å; I654-V664 HydrophobicContact CD1-CG2 4.15Å
655	P	87.4	Confident	83.1	Confident	111 Å²	111	79.4 Å²	79.4	72%	0.721	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	115.2	-178.2	27.7	-33.3	0	0	0	110.9
656	G	82.1	Confident	84.9	Confident	28 Å²	28	78.7 Å²	78.7	29%	0.289	41%	0.408	S	S	.	.			trans	-87.3	155.8	179.2	0	0	0	0	0	113.4	I654 N658 K660	I654-G656 PolarHBondContact O-N 2.83Å; G656-N658 PolarHBondContact O-N 2.98Å; G656-K660 WeakPolarHBondContact CA-O 3.47Å; G656-K660 PolarHBondContact N-O 3.32Å; G656-K660 VanDerWaalsContact N-O 3.15Å
657	K	75.4	Confident	86.4	Confident	211 Å²	211	73.5 Å²	73.5	92%	0.917	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.9	-172.2	-64	178.8	-179.9	175.8	0	115.3
658	N	69.9	Low	87.2	Confident	138 Å²	138	71 Å²	71	74%	0.738	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	36.1	-169.1	-62.7	9.7	0	0	0	113.3	G656 K660	G656-N658 PolarHBondContact O-N 2.98Å; N658-K660 PolarHBondContact O-N 3.1Å
659	Q	70.8	Confident	87.4	Confident	183 Å²	183	76.5 Å²	76.5	86%	0.855	38%	0.384	S	S	*	.	S	Bend	trans	56.5	16.4	-175.6	-64.1	-74.5	15.1	0	0	114.9
660	K	76.9	Confident	87.4	Confident	135 Å²	135	76.2 Å²	76.2	59%	0.587	38%	0.381	S	S	*	.			trans	-106.2	125	166.6	-64.5	-178.3	179.9	-179.6	0	107	G656 N658 W675	G656-K660 WeakPolarHBondContact CA-O 3.47Å; G656-K660 PolarHBondContact N-O 3.32Å; G656-K660 VanDerWaalsContact N-O 3.15Å; N658-K660 PolarHBondContact O-N 3.1Å; K660-W675 HydrophobicContact CB-CE3 3.84Å; K660-W675 HydrophobicContact CB-CZ3 4.33Å
661	S	89.6	Confident	87.6	Confident	26 Å²	26	72.3 Å²	72.3	18%	0.182	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.2	174.2	-56.4	0	0	0	0	109.3	I654 C676	I654-S661 CarbonylContact O-C 3.6Å; I654-S661 WeakPolarHBondContact O-CA 3.24Å; S661-C676 PolarHBondContact N-O 3.36Å; S661-C676 PolarHBondContact O-N 3.27Å; S661-C676 PolarHBondContact O-SG 3.46Å
662	E	93.6	Very high	87.6	Confident	49 Å²	49	70.8 Å²	70.8	23%	0.229	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	142.1	167.8	-167.6	177.2	177.1	0	0	108.4	V653 I654 R673 G674 W675	V653-E662 CarbonylContact C-O 3.44Å; V653-E662 WeakPolarHBondContact CA-O 3.31Å; I654-E662 HydrophobicContact CB-CB 4.4Å; I654-E662 PolarHBondContact N-O 3.17Å; I654-E662 PolarHBondContact O-N 3.44Å; E662-R673 WeakPolarHBondContact OE1-CD 3.29Å; E662-G674 CarbonylContact C-O 3.51Å; E662-G674 WeakPolarHBondContact CA-O 3.44Å; E662-W675 HydrophobicContact CB-CE3 4.1Å; E662-W675 HydrophobicContact CB-CH2 4.26Å; E662-W675 HydrophobicContact CB-CZ3 3.91Å
663	Y	94.9	Very high	87.7	Confident	8 Å²	8	72.7 Å²	72.7	3%	0.031	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	147.3	168.2	65.7	-102.7	0	0	0	109.7	E652 R673 G674 C676 L685 A686	E652-Y663 WeakPolarHBondContact O-CA 3.19Å; Y663-R673 VanDerWaalsContact O-CA 3.3Å; Y663-R673 WeakPolarHBondContact O-CA 3.39Å; Y663-G674 WeakPolarHBondContact CD1-O 3.33Å; Y663-G674 WeakPolarHBondContact CE1-O 3.43Å; Y663-G674 PolarHBondContact N-O 2.85Å; Y663-G674 PolarHBondContact O-N 2.87Å; Y663-C676 HydrophobicContact CD1-CB 3.79Å; Y663-C676 HydrophobicContact CE1-CB 4.31Å; Y663-L685 HydrophobicContact CE1-CB 4.15Å; Y663-L685 HydrophobicContact CE1-CD1 4.48Å; Y663-A686 HydrophobicContact CD2-CB 3.61Å; Y663-A686 HydrophobicContact CE2-CB 3.56Å
664	V	95.4	Very high	87.7	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.03	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.4	167.3	-171.7	0	0	0	0	107.8	F651 E652 I654 T671 V672 R673	F651-V664 WeakPolarHBondContact CA-O 3.27Å; F651-V664 WeakPolarHBondContact CD2-O 3.44Å; E652-V664 HydrophobicContact CG-CB 3.66Å; E652-V664 HydrophobicContact CG-CG2 4.17Å; E652-V664 PolarHBondContact N-O 3.38Å; E652-V664 PolarHBondContact O-N 3.43Å; E652-V664 WeakPolarHBondContact OE1-CB 3.47Å; I654-V664 HydrophobicContact CD1-CG2 4.15Å; V664-T671 HydrophobicContact CG1-CG2 3.89Å; V664-V672 WeakPolarHBondContact CA-O 3.45Å; V664-R673 HydrophobicContact CB-CG 4.37Å; V664-R673 HydrophobicContact CG1-CG 4.04Å; V664-R673 HydrophobicContact CG2-CG 3.94Å
665	M	95.3	Very high	87.8	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.9	170.1	-172.1	177.2	-86.8	0	0	109.6	Y631 L634 I649 K650 F651 T671 V672 K683 A686 I690	Y631-M665 HydrophobicContact CD2-CE 4.23Å; Y631-M665 HydrophobicContact CE2-CE 4.24Å; L634-M665 HydrophobicContact CD2-SD 4Å; I649-M665 HydrophobicContact CG2-CE 4.15Å; I649-M665 HydrophobicContact CG2-CG 3.91Å; I649-M665 HydrophobicContact CG2-SD 4.02Å; K650-M665 CarbonylContact O-C 3.56Å; K650-M665 VanDerWaalsContact O-CA 3.31Å; K650-M665 WeakPolarHBondContact O-CA 3.32Å; F651-M665 HydrophobicContact CB-CE 4.1Å; F651-M665 HydrophobicContact CD2-CB 4.01Å; F651-M665 HydrophobicContact CD2-CE 3.62Å; F651-M665 HydrophobicContact CD2-CG 4.37Å; F651-M665 HydrophobicContact CE2-CE 4.33Å; F651-M665 HydrophobicContact CG-CE 4.01Å; M665-T671 CarbonylContact O-C 3.57Å; M665-T671 WeakPolarHBondContact O-CA 3.36Å; M665-V672 HydrophobicContact CB-CG2 3.95Å; M665-V672 PolarHBondContact N-O 3.47Å; M665-V672 PolarHBondContact O-N 2.66Å; M665-K683 HydrophobicContact CE-CG 4.04Å; M665-A686 HydrophobicContact CB-CB 3.6Å; M665-A686 HydrophobicContact CE-CB 3.92Å; M665-A686 HydrophobicContact CG-CB 4.31Å; M665-A686 HydrophobicContact SD-CB 3.81Å; M665-I690 HydrophobicContact CG-CG1 4.36Å; M665-I690 HydrophobicContact SD-CG1 4.11Å
666	T	92.9	Very high	87.9	Confident	45 Å²	45	70 Å²	70	28%	0.276	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.1	172.1	-62	0	0	0	0	108.7	I649 K650 G668 H670 T671	I649-T666 CarbonylContact C-O 3.4Å; I649-T666 WeakPolarHBondContact CA-O 3.49Å; K650-T666 PolarHBondContact N-O 3.07Å; K650-T666 PolarHBondContact O-N 3.49Å; T666-G668 WeakPolarHBondContact CG2-O 3.24Å; T666-H670 CarbonylContact C-O 3.46Å; T666-H670 WeakPolarHBondContact CA-O 3.16Å; T666-T671 WeakPolarHBondContact CB-OG1 3.39Å; T666-T671 WeakPolarHBondContact CG2-OG1 3.36Å; T666-T671 WeakPolarHBondContact OG1-CG2 3.43Å; T666-T671 PolarHBondContact OG1-OG1 2.91Å
667	C	90.1	Very high	88.2	Confident	4 Å²	4	77.2 Å²	77.2	3%	0.027	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	90.7	-179.7	-177.1	0	0	0	0	107.8	K669 H670 I690	C667-K669 PolarHBondContact O-N 3.4Å; C667-H670 PolarHBondContact N-O 3.02Å; C667-H670 PolarHBondContact O-N 3.46Å; C667-H670 VanDerWaalsContact O-N 3.17Å; C667-I690 HydrophobicContact CB-CD1 4.02Å; C667-I690 HydrophobicContact CB-CG1 4.3Å; C667-I690 HydrophobicContact CB-CG2 3.62Å
668	G	85.4	Confident	88.8	Confident	15 Å²	15	72 Å²	72	16%	0.155	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	-130	-164.1	0	0	0	0	0	111.8	D646 S648 T666 H670	D646-G668 VanDerWaalsContact CB-CA 3.42Å; D646-G668 PolarHBondContact O-N 3.17Å; S648-G668 PolarHBondContact O-N 2.67Å; T666-G668 WeakPolarHBondContact CG2-O 3.24Å; G668-H670 PolarHBondContact O-N 2.92Å; G668-H670 VanDerWaalsContact O-N 3.14Å
669	K	85.3	Confident	89.8	Confident	183 Å²	183	72.5 Å²	72.5	80%	0.796	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-12.8	179.5	70.9	178.5	-176	177.1	0	115.8	C667	C667-K669 PolarHBondContact O-N 3.4Å
670	H	90.1	Very high	90.7	Very high	31 Å²	31	71.5 Å²	71.5	14%	0.144	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.9	-177.9	-52.4	112.5	0	0	0	110.3	T666 C667 G668 I690 M693	T666-H670 CarbonylContact C-O 3.46Å; T666-H670 WeakPolarHBondContact CA-O 3.16Å; C667-H670 PolarHBondContact N-O 3.02Å; C667-H670 PolarHBondContact O-N 3.46Å; C667-H670 VanDerWaalsContact O-N 3.17Å; G668-H670 PolarHBondContact O-N 2.92Å; G668-H670 VanDerWaalsContact O-N 3.14Å; H670-I690 HydrophobicContact CB-CD1 3.69Å; H670-M693 HydrophobicContact CB-CE 4.44Å; H670-M693 HydrophobicContact CB-SD 4.16Å
671	T	93.8	Very high	91.4	Very high	69 Å²	69	67.7 Å²	67.7	42%	0.423	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129	171.2	-64.9	0	0	0	0	109.7	V664 M665 T666	V664-T671 HydrophobicContact CG1-CG2 3.89Å; M665-T671 CarbonylContact O-C 3.57Å; M665-T671 WeakPolarHBondContact O-CA 3.36Å; T666-T671 WeakPolarHBondContact CB-OG1 3.39Å; T666-T671 WeakPolarHBondContact CG2-OG1 3.36Å; T666-T671 WeakPolarHBondContact OG1-CG2 3.43Å; T666-T671 PolarHBondContact OG1-OG1 2.91Å
672	V	95.1	Very high	91.6	Very high	11 Å²	11	66.4 Å²	66.4	7%	0.067	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.8	179	-61.5	0	0	0	0	110.8	V664 M665 A686 K689 I690 M693	V664-V672 WeakPolarHBondContact CA-O 3.45Å; M665-V672 HydrophobicContact CB-CG2 3.95Å; M665-V672 PolarHBondContact N-O 3.47Å; M665-V672 PolarHBondContact O-N 2.66Å; V672-A686 HydrophobicContact CG2-CB 4.09Å; V672-K689 HydrophobicContact CB-CB 4.1Å; V672-K689 HydrophobicContact CB-CD 4.18Å; V672-K689 HydrophobicContact CG1-CB 3.77Å; V672-K689 HydrophobicContact CG1-CD 4.46Å; V672-K689 HydrophobicContact CG2-CB 4.21Å; V672-I690 HydrophobicContact CB-CD1 4.3Å; V672-I690 HydrophobicContact CG1-CD1 3.64Å; V672-I690 HydrophobicContact CG1-CG1 4.14Å; V672-I690 HydrophobicContact CG2-CD1 3.84Å; V672-I690 HydrophobicContact CG2-CG1 3.74Å; V672-M693 HydrophobicContact CG1-SD 3.49Å; V672-M693 WeakPolarHBondContact CG1-SD 3.48Å
673	R	94.9	Very high	91.6	Very high	151 Å²	151	66.8 Å²	66.8	57%	0.57	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	163.7	173.3	-57	-165	-179.3	164.5	1.9	111.6	E662 Y663 V664 K689	E662-R673 WeakPolarHBondContact OE1-CD 3.29Å; Y663-R673 VanDerWaalsContact O-CA 3.3Å; Y663-R673 WeakPolarHBondContact O-CA 3.39Å; V664-R673 HydrophobicContact CB-CG 4.37Å; V664-R673 HydrophobicContact CG1-CG 4.04Å; V664-R673 HydrophobicContact CG2-CG 3.94Å; R673-K689 PolarHBondContact O-NZ 3.24Å
674	G	92.7	Very high	91.7	Very high	13 Å²	13	67 Å²	67	13%	0.134	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.2	176.5	173.4	0	0	0	0	0	113.3	E662 Y663	E662-G674 CarbonylContact C-O 3.51Å; E662-G674 WeakPolarHBondContact CA-O 3.44Å; Y663-G674 WeakPolarHBondContact CD1-O 3.33Å; Y663-G674 WeakPolarHBondContact CE1-O 3.43Å; Y663-G674 PolarHBondContact N-O 2.85Å; Y663-G674 PolarHBondContact O-N 2.87Å
675	W	92	Very high	91.6	Very high	157 Å²	157	68.1 Å²	68.1	60%	0.595	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.5	-178.1	-61.6	98	0	0	0	111.7	K660 E662	K660-W675 HydrophobicContact CB-CE3 3.84Å; K660-W675 HydrophobicContact CB-CZ3 4.33Å; E662-W675 HydrophobicContact CB-CE3 4.1Å; E662-W675 HydrophobicContact CB-CH2 4.26Å; E662-W675 HydrophobicContact CB-CZ3 3.91Å
676	C	90.1	Very high	91.7	Very high	8 Å²	8	68.1 Å²	68.1	5%	0.054	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	162.1	173.2	69	0	0	0	0	112.3	S661 Y663	S661-C676 PolarHBondContact N-O 3.36Å; S661-C676 PolarHBondContact O-N 3.27Å; S661-C676 PolarHBondContact O-SG 3.46Å; Y663-C676 HydrophobicContact CD1-CB 3.79Å; Y663-C676 HydrophobicContact CE1-CB 4.31Å
677	K	87.4	Confident	91.8	Very high	179 Å²	179	66 Å²	66	78%	0.778	30%	0.301	S	S	*	.	S	Bend	trans	-82.2	-36.2	174.4	-60.9	174.4	-177	172.1	0	111.9
678	N	88.6	Confident	92.1	Very high	102 Å²	102	66 Å²	66	55%	0.545	30%	0.301	S	S	.	.	S	Bend	trans	-148.2	148.9	-173.4	-55.7	78.7	0	0	0	110.8	R680 V681 G682	N678-R680 VanDerWaalsContact C-N 3.26Å; N678-R680 PolarHBondContact O-N 3.23Å; N678-R680 VanDerWaalsContact O-N 3.13Å; N678-V681 PolarHBondContact O-N 2.81Å; N678-G682 PolarHBondContact O-N 3.13Å
679	K	90.3	Very high	92.6	Very high	148 Å²	148	68.4 Å²	68.4	64%	0.643	31%	0.307	S	S	*	.	H	α-helix	trans	-46.5	-43.9	178	-173	-178.5	-177.8	-174.8	0	113.5	F651 V653 G682 K683	F651-K679 HydrophobicContact CE1-CG 3.88Å; V653-K679 HydrophobicContact CG2-CB 4.33Å; V653-K679 HydrophobicContact CG2-CG 3.99Å; K679-G682 PolarHBondContact O-N 3.27Å; K679-K683 PolarHBondContact O-N 2.87Å
680	R	90.8	Very high	93	Very high	162 Å²	162	59.7 Å²	59.7	61%	0.611	27%	0.269	S	S	*	.	H	α-helix	trans	-62.3	-43.3	179.8	-160.9	-178.7	-158.2	-159.4	7.4	113	Y619 N678 Q684	Y619-R680 PolarHBondContact OH-NE 2.9Å; N678-R680 VanDerWaalsContact C-N 3.26Å; N678-R680 PolarHBondContact O-N 3.23Å; N678-R680 VanDerWaalsContact O-N 3.13Å; R680-Q684 WeakPolarHBondContact O-CG 3.4Å
681	V	91.4	Very high	93.1	Very high	55 Å²	55	58.2 Å²	58.2	33%	0.333	26%	0.263	S	S	.	.	H	α-helix	trans	-73.6	-40.1	178.9	-178.9	0	0	0	0	110.5	N678 K683 Q684 L685	N678-V681 PolarHBondContact O-N 2.81Å; V681-K683 PolarHBondContact O-N 2.72Å; V681-Q684 PolarHBondContact O-N 3.34Å; V681-L685 HydrophobicContact CG1-CD1 3.89Å; V681-L685 HydrophobicContact CG1-CG 4.21Å; V681-L685 WeakPolarHBondContact O-CG 3.38Å; V681-L685 PolarHBondContact O-N 2.82Å
682	G	93.2	Very high	93.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-46.2	173.7	0	0	0	0	0	112.6	N678 K679 Q684 L685 A686	N678-G682 PolarHBondContact O-N 3.13Å; K679-G682 PolarHBondContact O-N 3.27Å; G682-Q684 VanDerWaalsContact C-N 3.26Å; G682-Q684 PolarHBondContact O-N 3.01Å; G682-L685 PolarHBondContact O-N 3.16Å; G682-A686 VanDerWaalsContact O-CB 3.23Å; G682-A686 WeakPolarHBondContact O-CB 3.21Å; G682-A686 PolarHBondContact O-N 3.14Å
683	K	94.7	Very high	92.9	Very high	56 Å²	56	60.3 Å²	60.3	24%	0.243	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-42.6	177.2	-170.4	-172.1	-98.6	-155.6	0	111.2	Y631 F651 M665 K679 V681 S687	Y631-K683 HydrophobicContact CD1-CD 3.75Å; Y631-K683 HydrophobicContact CD2-CD 3.87Å; Y631-K683 HydrophobicContact CD2-CG 3.79Å; Y631-K683 HydrophobicContact CE1-CD 3.78Å; Y631-K683 VanDerWaalsContact CE1-NZ 3.35Å; Y631-K683 HydrophobicContact CE2-CD 3.91Å; Y631-K683 HydrophobicContact CE2-CG 4.03Å; Y631-K683 HydrophobicContact CG-CD 3.77Å; Y631-K683 HydrophobicContact CG-CG 4.03Å; Y631-K683 PolarHBondContact OH-NZ 3.5Å; F651-K683 HydrophobicContact CD1-CB 4.25Å; F651-K683 HydrophobicContact CD1-CG 4.31Å; F651-K683 HydrophobicContact CE1-CB 3.77Å; F651-K683 HydrophobicContact CE1-CG 4.33Å; F651-K683 HydrophobicContact CE2-CB 4.24Å; F651-K683 VanDerWaalsContact CZ-CA 3.45Å; F651-K683 HydrophobicContact CZ-CB 3.78Å; M665-K683 HydrophobicContact CE-CG 4.04Å; K679-K683 PolarHBondContact O-N 2.87Å; V681-K683 PolarHBondContact O-N 2.72Å; K683-S687 WeakPolarHBondContact O-CB 3.44Å; K683-S687 PolarHBondContact O-N 2.64Å; K683-S687 VanDerWaalsContact O-N 3.07Å; K683-S687 PolarHBondContact O-OG 3.05Å
684	Q	95.8	Very high	92.5	Very high	13 Å²	13	55.4 Å²	55.4	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-76.3	-42.2	-176.4	-60.1	-72.3	-2.6	0	0	112.7	Y619 S629 P630 R680 V681 G682 S687 Q688	Y619-Q684 HydrophobicContact CD1-CB 4.2Å; Y619-Q684 HydrophobicContact CD1-CG 4.01Å; Y619-Q684 HydrophobicContact CD2-CB 4.06Å; Y619-Q684 HydrophobicContact CD2-CG 3.58Å; Y619-Q684 HydrophobicContact CE1-CG 4.06Å; Y619-Q684 HydrophobicContact CE2-CG 3.65Å; Y619-Q684 HydrophobicContact CG-CB 3.85Å; Y619-Q684 HydrophobicContact CG-CG 3.78Å; S629-Q684 PolarHBondContact OG-NE2 3.35Å; P630-Q684 VanDerWaalsContact CD-OE1 3.24Å; R680-Q684 WeakPolarHBondContact O-CG 3.4Å; V681-Q684 PolarHBondContact O-N 3.34Å; G682-Q684 VanDerWaalsContact C-N 3.26Å; G682-Q684 PolarHBondContact O-N 3.01Å; Q684-S687 WeakPolarHBondContact O-CB 3.34Å; Q684-S687 PolarHBondContact O-N 2.95Å; Q684-Q688 WeakPolarHBondContact O-CG 3.46Å; Q684-Q688 PolarHBondContact O-N 3.01Å
685	L	95	Very high	92.3	Very high	29 Å²	29	56 Å²	56	15%	0.152	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-40.6	174.4	-68.9	173.5	0	0	0	112	Y663 V681 G682 S687 Q688 K689	Y663-L685 HydrophobicContact CE1-CB 4.15Å; Y663-L685 HydrophobicContact CE1-CD1 4.48Å; V681-L685 HydrophobicContact CG1-CD1 3.89Å; V681-L685 HydrophobicContact CG1-CG 4.21Å; V681-L685 WeakPolarHBondContact O-CG 3.38Å; V681-L685 PolarHBondContact O-N 2.82Å; G682-L685 PolarHBondContact O-N 3.16Å; L685-S687 VanDerWaalsContact C-N 3.31Å; L685-S687 PolarHBondContact O-N 3.32Å; L685-Q688 WeakPolarHBondContact O-CB 3.47Å; L685-Q688 PolarHBondContact O-N 3.36Å; L685-K689 PolarHBondContact O-N 3.29Å
686	A	95.8	Very high	92.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.3	-41.8	173.4	0	0	0	0	0	111.7	F651 Y663 M665 V672 G682 Q688 K689 I690	F651-A686 HydrophobicContact CE2-CB 4.28Å; Y663-A686 HydrophobicContact CD2-CB 3.61Å; Y663-A686 HydrophobicContact CE2-CB 3.56Å; M665-A686 HydrophobicContact CB-CB 3.6Å; M665-A686 HydrophobicContact CE-CB 3.92Å; M665-A686 HydrophobicContact CG-CB 4.31Å; M665-A686 HydrophobicContact SD-CB 3.81Å; V672-A686 HydrophobicContact CG2-CB 4.09Å; G682-A686 VanDerWaalsContact O-CB 3.23Å; G682-A686 WeakPolarHBondContact O-CB 3.21Å; G682-A686 PolarHBondContact O-N 3.14Å; A686-Q688 VanDerWaalsContact C-N 3.33Å; A686-Q688 PolarHBondContact O-N 2.68Å; A686-K689 PolarHBondContact O-N 3.08Å; A686-I690 WeakPolarHBondContact O-CG1 3.16Å; A686-I690 PolarHBondContact O-N 3.24Å
687	S	95.8	Very high	91.9	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-38.3	177.1	-56.1	0	0	0	0	112.5	Y631 K683 Q684 L685 L691	Y631-S687 WeakPolarHBondContact CA-OG 3.35Å; Y631-S687 WeakPolarHBondContact CD2-OG 3.37Å; K683-S687 WeakPolarHBondContact O-CB 3.44Å; K683-S687 PolarHBondContact O-N 2.64Å; K683-S687 VanDerWaalsContact O-N 3.07Å; K683-S687 PolarHBondContact O-OG 3.05Å; Q684-S687 WeakPolarHBondContact O-CB 3.34Å; Q684-S687 PolarHBondContact O-N 2.95Å; L685-S687 VanDerWaalsContact C-N 3.31Å; L685-S687 PolarHBondContact O-N 3.32Å; S687-L691 VanDerWaalsContact O-CB 3.31Å; S687-L691 WeakPolarHBondContact O-CB 3.48Å; S687-L691 WeakPolarHBondContact O-CD1 3.2Å; S687-L691 VanDerWaalsContact O-CG 3.28Å; S687-L691 WeakPolarHBondContact O-CG 3.21Å; S687-L691 PolarHBondContact O-N 3.42Å
688	Q	95.8	Very high	91.9	Very high	3 Å²	3	54 Å²	54	1%	0.014	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-49.5	174.1	-70	167.7	16.8	0	0	111.5	I613 D615 P630 Q684 L685 A686 I690 L691 Q692 W701	I613-Q688 WeakPolarHBondContact CG2-O 3.4Å; I613-Q688 WeakPolarHBondContact O-CB 3.41Å; I613-Q688 WeakPolarHBondContact O-CG 3.47Å; D615-Q688 PolarHBondContact O-OE1 3.06Å; P630-Q688 HydrophobicContact CB-CG 3.79Å; P630-Q688 HydrophobicContact CG-CG 3.88Å; Q684-Q688 WeakPolarHBondContact O-CG 3.46Å; Q684-Q688 PolarHBondContact O-N 3.01Å; L685-Q688 WeakPolarHBondContact O-CB 3.47Å; L685-Q688 PolarHBondContact O-N 3.36Å; A686-Q688 VanDerWaalsContact C-N 3.33Å; A686-Q688 PolarHBondContact O-N 2.68Å; Q688-I690 PolarHBondContact O-N 3.31Å; Q688-L691 WeakPolarHBondContact O-CB 3.5Å; Q688-L691 PolarHBondContact O-N 3.37Å; Q688-Q692 PolarHBondContact O-N 3.29Å; Q688-W701 HydrophobicContact CG-CZ3 4.49Å
689	K	95.3	Very high	91.7	Very high	67 Å²	67	56.8 Å²	56.8	29%	0.291	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-45.8	177.2	-68.1	-170.2	172.6	-168.1	0	112.3	V672 R673 L685 A686 L691 Q692 M693	V672-K689 HydrophobicContact CB-CB 4.1Å; V672-K689 HydrophobicContact CB-CD 4.18Å; V672-K689 HydrophobicContact CG1-CB 3.77Å; V672-K689 HydrophobicContact CG1-CD 4.46Å; V672-K689 HydrophobicContact CG2-CB 4.21Å; R673-K689 PolarHBondContact O-NZ 3.24Å; L685-K689 PolarHBondContact O-N 3.29Å; A686-K689 PolarHBondContact O-N 3.08Å; K689-L691 VanDerWaalsContact C-N 3.33Å; K689-L691 PolarHBondContact O-N 3.47Å; K689-Q692 PolarHBondContact O-N 3.18Å; K689-Q692 VanDerWaalsContact O-N 3.14Å; K689-M693 WeakPolarHBondContact O-CG 3.45Å; K689-M693 PolarHBondContact O-N 3.35Å
690	I	93.6	Very high	91.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-42	176.3	-66.2	-68.2	0	0	0	110.9	L634 M665 C667 H670 V672 A686 Q688 Q692 M693 L694	L634-I690 HydrophobicContact CD1-CB 4.47Å; L634-I690 HydrophobicContact CD1-CG2 3.59Å; L634-I690 HydrophobicContact CD2-CB 4.15Å; L634-I690 HydrophobicContact CD2-CG2 3.91Å; L634-I690 HydrophobicContact CG-CG2 4.43Å; M665-I690 HydrophobicContact CG-CG1 4.36Å; M665-I690 HydrophobicContact SD-CG1 4.11Å; C667-I690 HydrophobicContact CB-CD1 4.02Å; C667-I690 HydrophobicContact CB-CG1 4.3Å; C667-I690 HydrophobicContact CB-CG2 3.62Å; H670-I690 HydrophobicContact CB-CD1 3.69Å; V672-I690 HydrophobicContact CB-CD1 4.3Å; V672-I690 HydrophobicContact CG1-CD1 3.64Å; V672-I690 HydrophobicContact CG1-CG1 4.14Å; V672-I690 HydrophobicContact CG2-CD1 3.84Å; V672-I690 HydrophobicContact CG2-CG1 3.74Å; A686-I690 WeakPolarHBondContact O-CG1 3.16Å; A686-I690 PolarHBondContact O-N 3.24Å; Q688-I690 PolarHBondContact O-N 3.31Å; I690-Q692 VanDerWaalsContact C-N 3.33Å; I690-Q692 PolarHBondContact O-N 2.97Å; I690-M693 PolarHBondContact O-N 2.82Å; I690-L694 HydrophobicContact CG2-CD1 3.86Å; I690-L694 HydrophobicContact CG2-CG 4.3Å; I690-L694 WeakPolarHBondContact O-CB 3.46Å; I690-L694 VanDerWaalsContact O-CG 3.29Å; I690-L694 WeakPolarHBondContact O-CG 3.31Å; I690-L694 PolarHBondContact O-N 3.12Å
691	L	93	Very high	91.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-37.5	174	-80.2	164.9	0	0	0	112.6	I613 P630 I633 L634 C637 S687 Q688 K689 L694 H695 W701 L704	I613-L691 HydrophobicContact CG2-CB 4.26Å; P630-L691 WeakPolarHBondContact O-CD1 3.37Å; I633-L691 HydrophobicContact CB-CD1 4.16Å; I633-L691 HydrophobicContact CG2-CD1 3.73Å; I633-L691 HydrophobicContact CG2-CD2 4.03Å; L634-L691 HydrophobicContact CB-CD1 4.19Å; L634-L691 HydrophobicContact CB-CD2 4.37Å; L634-L691 HydrophobicContact CB-CG 4.09Å; L634-L691 HydrophobicContact CD1-CD2 4.37Å; L634-L691 HydrophobicContact CD1-CG 4.34Å; C637-L691 HydrophobicContact CB-CD2 4.19Å; S687-L691 VanDerWaalsContact O-CB 3.31Å; S687-L691 WeakPolarHBondContact O-CB 3.48Å; S687-L691 WeakPolarHBondContact O-CD1 3.2Å; S687-L691 VanDerWaalsContact O-CG 3.28Å; S687-L691 WeakPolarHBondContact O-CG 3.21Å; S687-L691 PolarHBondContact O-N 3.42Å; Q688-L691 WeakPolarHBondContact O-CB 3.5Å; Q688-L691 PolarHBondContact O-N 3.37Å; K689-L691 VanDerWaalsContact C-N 3.33Å; K689-L691 PolarHBondContact O-N 3.47Å; L691-L694 PolarHBondContact O-N 3.47Å; L691-H695 WeakPolarHBondContact O-CB 3.44Å; L691-H695 PolarHBondContact O-CD2 2.88Å; L691-H695 VanDerWaalsContact O-CD2 3.24Å; L691-H695 PolarHBondContact O-N 3.27Å; L691-W701 HydrophobicContact CD1-CH2 3.71Å; L691-W701 HydrophobicContact CD1-CZ3 3.9Å; L691-L704 HydrophobicContact CB-CD1 3.98Å; L691-L704 HydrophobicContact CD1-CD1 4.15Å; L691-L704 HydrophobicContact CD2-CD1 4.32Å; L691-L704 HydrophobicContact CG-CD1 4.39Å
692	Q	94	Very high	91.4	Very high	39 Å²	39	41.5 Å²	41.5	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-68.3	-37	175.7	-173.2	59.1	93.8	0	0	111.8	I613 E614 Q688 K689 I690 H695 P696 V698	I613-Q692 HydrophobicContact CB-CB 4.49Å; I613-Q692 HydrophobicContact CG2-CB 4.01Å; E614-Q692 HydrophobicContact CG-CB 4.01Å; E614-Q692 HydrophobicContact CG-CG 4.15Å; E614-Q692 WeakPolarHBondContact OE1-CB 3.18Å; Q688-Q692 PolarHBondContact O-N 3.29Å; K689-Q692 PolarHBondContact O-N 3.18Å; K689-Q692 VanDerWaalsContact O-N 3.14Å; I690-Q692 VanDerWaalsContact C-N 3.33Å; I690-Q692 PolarHBondContact O-N 2.97Å; Q692-H695 PolarHBondContact NE2-O 3.47Å; Q692-H695 CarbonylContact O-C 3.5Å; Q692-H695 VanDerWaalsContact O-C 3.23Å; Q692-H695 PolarHBondContact O-N 2.63Å; Q692-P696 WeakPolarHBondContact O-CA 3.49Å; Q692-V698 PolarHBondContact NE2-O 2.65Å
693	M	90.5	Very high	91	Very high	85 Å²	85	42.8 Å²	42.8	42%	0.419	21%	0.212	S	C	.	.	H	α-helix	trans	-69.9	-36.4	172.9	-65.7	-177.8	87.3	0	0	113.1	H670 V672 K689 I690 H695 P696	H670-M693 HydrophobicContact CB-CE 4.44Å; H670-M693 HydrophobicContact CB-SD 4.16Å; V672-M693 HydrophobicContact CG1-SD 3.49Å; V672-M693 WeakPolarHBondContact CG1-SD 3.48Å; K689-M693 WeakPolarHBondContact O-CG 3.45Å; K689-M693 PolarHBondContact O-N 3.35Å; I690-M693 PolarHBondContact O-N 2.82Å; M693-H695 VanDerWaalsContact C-N 3.26Å; M693-H695 PolarHBondContact O-N 3.05Å; M693-P696 WeakPolarHBondContact O-CD 3.49Å; M693-P696 WeakPolarHBondContact O-CG 3.25Å
694	L	87.7	Confident	90.7	Very high	47 Å²	47	40.1 Å²	40.1	25%	0.246	20%	0.201	C	C	.	.	H	α-helix	trans	-70.1	-23.4	174.1	-73.3	169.8	0	0	0	112.5	L634 I690 L691	L634-L694 HydrophobicContact CD1-CD1 3.59Å; I690-L694 HydrophobicContact CG2-CD1 3.86Å; I690-L694 HydrophobicContact CG2-CG 4.3Å; I690-L694 WeakPolarHBondContact O-CB 3.46Å; I690-L694 VanDerWaalsContact O-CG 3.29Å; I690-L694 WeakPolarHBondContact O-CG 3.31Å; I690-L694 PolarHBondContact O-N 3.12Å; L691-L694 PolarHBondContact O-N 3.47Å
695	H	87.4	Confident	90.2	Very high	26 Å²	26	39.7 Å²	39.7	12%	0.12	20%	0.198	C	C	.	.			trans	-132.6	62.2	-178.3	-53.4	-57.1	0	0	0	113.3	C637 L691 Q692 M693 H697 V698 L704 Y708	C637-H695 PolarHBondContact SG-NE2 3.45Å; L691-H695 WeakPolarHBondContact O-CB 3.44Å; L691-H695 PolarHBondContact O-CD2 2.88Å; L691-H695 VanDerWaalsContact O-CD2 3.24Å; L691-H695 PolarHBondContact O-N 3.27Å; Q692-H695 PolarHBondContact NE2-O 3.47Å; Q692-H695 CarbonylContact O-C 3.5Å; Q692-H695 VanDerWaalsContact O-C 3.23Å; Q692-H695 PolarHBondContact O-N 2.63Å; M693-H695 VanDerWaalsContact C-N 3.26Å; M693-H695 PolarHBondContact O-N 3.05Å; H695-H697 PolarHBondContact O-N 2.67Å; H695-V698 HydrophobicContact CB-CB 3.91Å; H695-V698 HydrophobicContact CB-CG2 3.9Å; H695-V698 PolarHBondContact O-N 2.87Å; H695-V698 VanDerWaalsContact O-O 3.13Å; H695-L704 HydrophobicContact CB-CD2 4.4Å; H695-L704 VanDerWaalsContact CD2-CD2 3.42Å; H695-L704 WeakPolarHBondContact CD2-CD2 3.36Å; H695-Y708 AromaticContact CE1-CE2 3.9Å; H695-Y708 AromaticContact CE1-CZ 3.94Å; H695-Y708 PolarHBondContact CE1-OH 2.75Å; H695-Y708 AromaticContact NE2-CE2 3.47Å; H695-Y708 WeakPolarHBondContact NE2-CE2 3.4Å; H695-Y708 AromaticContact NE2-CZ 3.86Å
696	P	87.6	Confident	89.7	Confident	85 Å²	85	42.8 Å²	42.8	55%	0.552	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.2	-171.3	-25.6	36.2	0	0	0	115.3	Q692 M693	Q692-P696 WeakPolarHBondContact O-CA 3.49Å; M693-P696 WeakPolarHBondContact O-CD 3.49Å; M693-P696 WeakPolarHBondContact O-CG 3.25Å
697	H	86.1	Confident	88.9	Confident	185 Å²	185	46.4 Å²	46.4	86%	0.856	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-13.2	178.6	-52.3	-55.1	0	0	0	113.6	H695	H695-H697 PolarHBondContact O-N 2.67Å
698	V	86.6	Confident	88.4	Confident	31 Å²	31	47.4 Å²	47.4	19%	0.188	23%	0.23	C	C	.	.			trans	-92.6	120.2	175.3	-173.2	0	0	0	0	107.4	I613 Q692 H695 S703 L704 M707	I613-V698 HydrophobicContact CD1-CB 4.3Å; I613-V698 HydrophobicContact CD1-CG1 4.09Å; I613-V698 WeakPolarHBondContact CD1-O 3.49Å; Q692-V698 PolarHBondContact NE2-O 2.65Å; H695-V698 HydrophobicContact CB-CB 3.91Å; H695-V698 HydrophobicContact CB-CG2 3.9Å; H695-V698 PolarHBondContact O-N 2.87Å; H695-V698 VanDerWaalsContact O-O 3.13Å; V698-S703 VanDerWaalsContact CG1-CB 3.45Å; V698-L704 HydrophobicContact CG1-CD2 4.32Å; V698-M707 HydrophobicContact CG2-CE 4.16Å
699	K	84.6	Confident	87.3	Confident	161 Å²	161	48 Å²	48	70%	0.7	24%	0.238	S	C	*	.			trans	-97.9	-24.5	-179.3	-62.4	-173	178.1	-174.9	0	113.5	S612 I613	S612-K699 VanDerWaalsContact CA-O 3.31Å; S612-K699 WeakPolarHBondContact CA-O 3.39Å; I613-K699 PolarHBondContact N-O 3.05Å
700	N	90.6	Very high	85.9	Confident	44 Å²	44	52.6 Å²	52.6	24%	0.235	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-119.6	142.2	-165.1	51.5	13.9	0	0	0	115	N609 I611 G702 S703	N609-N700 WeakPolarHBondContact O-CB 3.47Å; N609-N700 PolarHBondContact O-ND2 3.19Å; I611-N700 CarbonylContact O-C 3.53Å; I611-N700 VanDerWaalsContact O-CA 3.24Å; I611-N700 WeakPolarHBondContact O-CA 3.23Å; N700-G702 VanDerWaalsContact C-N 3.33Å; N700-G702 PolarHBondContact O-N 3.03Å; N700-S703 WeakPolarHBondContact O-CB 3.39Å; N700-S703 PolarHBondContact O-N 3.46Å; N700-S703 VanDerWaalsContact O-N 3.14Å; N700-S703 WeakPolarHBondContact OD1-CB 3.19Å; N700-S703 PolarHBondContact OD1-OG 3.19Å
701	W	91.5	Very high	83.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-35.6	-174	-167.3	-103.7	0	0	0	113	F608 I611 I613 V618 T622 P630 I633 Q688 L691 S703 L704 L705	F608-W701 HydrophobicContact CD1-CB 4.42Å; F608-W701 AromaticContact CD1-CD1 3.58Å; F608-W701 HydrophobicContact CD1-CG 4.33Å; I611-W701 HydrophobicContact CG2-CB 4.5Å; I611-W701 PolarHBondContact O-N 3.34Å; I613-W701 HydrophobicContact CB-CE3 4.41Å; I613-W701 HydrophobicContact CG1-CE3 4.34Å; I613-W701 HydrophobicContact CG2-CE3 4.15Å; I613-W701 HydrophobicContact CG2-CZ3 4.1Å; V618-W701 HydrophobicContact CG1-CD2 3.42Å; V618-W701 VanDerWaalsContact CG1-CD2 3.42Å; V618-W701 HydrophobicContact CG1-CE3 3.65Å; V618-W701 HydrophobicContact CG1-CG 3.92Å; V618-W701 HydrophobicContact CG1-CH2 4.21Å; V618-W701 HydrophobicContact CG1-CZ2 3.94Å; V618-W701 HydrophobicContact CG1-CZ3 4.04Å; V618-W701 HydrophobicContact CG2-CB 4.47Å; V618-W701 HydrophobicContact CG2-CD2 4.43Å; V618-W701 HydrophobicContact CG2-CG 4.36Å; T622-W701 HydrophobicContact CG2-CZ2 4.32Å; P630-W701 HydrophobicContact CB-CH2 3.75Å; P630-W701 HydrophobicContact CB-CZ2 4.34Å; P630-W701 HydrophobicContact CB-CZ3 4.42Å; P630-W701 HydrophobicContact CG-CH2 3.79Å; P630-W701 HydrophobicContact CG-CZ2 3.99Å; P630-W701 HydrophobicContact CG-CZ3 4.42Å; I633-W701 HydrophobicContact CB-CH2 4.09Å; I633-W701 HydrophobicContact CB-CZ2 4.17Å; I633-W701 HydrophobicContact CG1-CH2 4.31Å; I633-W701 HydrophobicContact CG1-CZ2 3.87Å; I633-W701 HydrophobicContact CG2-CH2 4.04Å; I633-W701 HydrophobicContact CG2-CZ2 4.33Å; Q688-W701 HydrophobicContact CG-CZ3 4.49Å; L691-W701 HydrophobicContact CD1-CH2 3.71Å; L691-W701 HydrophobicContact CD1-CZ3 3.9Å; W701-S703 PolarHBondContact O-N 3.3Å; W701-S703 VanDerWaalsContact O-N 3.16Å; W701-L704 HydrophobicContact CE3-CD1 3.71Å; W701-L704 HydrophobicContact CH2-CD1 4.15Å; W701-L704 HydrophobicContact CZ3-CD1 3.49Å; W701-L704 VanDerWaalsContact CZ3-CD1 3.49Å; W701-L704 WeakPolarHBondContact O-CB 3.09Å; W701-L704 PolarHBondContact O-N 2.91Å; W701-L705 VanDerWaalsContact CD1-CD1 3.45Å; W701-L705 PolarHBondContact O-N 2.85Å
702	G	85.8	Confident	81.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-27.9	176.6	0	0	0	0	0	113.4	F608 N700 R706	F608-G702 WeakPolarHBondContact O-CA 3.07Å; F608-G702 PolarHBondContact O-N 3.22Å; N700-G702 VanDerWaalsContact C-N 3.33Å; N700-G702 PolarHBondContact O-N 3.03Å; G702-R706 WeakPolarHBondContact O-CG 3.34Å; G702-R706 PolarHBondContact O-N 3.11Å
703	S	84.8	Confident	79.4	Confident	28 Å²	28	59.4 Å²	59.4	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-76.2	-38.4	174.1	-62.7	0	0	0	0	112.3	V698 N700 W701 L705 R706 M707	V698-S703 VanDerWaalsContact CG1-CB 3.45Å; N700-S703 WeakPolarHBondContact O-CB 3.39Å; N700-S703 PolarHBondContact O-N 3.46Å; N700-S703 VanDerWaalsContact O-N 3.14Å; N700-S703 WeakPolarHBondContact OD1-CB 3.19Å; N700-S703 PolarHBondContact OD1-OG 3.19Å; W701-S703 PolarHBondContact O-N 3.3Å; W701-S703 VanDerWaalsContact O-N 3.16Å; S703-L705 VanDerWaalsContact C-N 3.31Å; S703-R706 PolarHBondContact O-N 3.29Å; S703-R706 PolarHBondContact OG-NH2 3.43Å; S703-M707 WeakPolarHBondContact O-CG 3.47Å; S703-M707 PolarHBondContact O-N 3.29Å
704	L	86.6	Confident	77.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-37.1	169.8	-61.5	-173.2	0	0	0	111.5	I613 I633 L691 H695 V698 W701 M707 Y708	I613-L704 HydrophobicContact CD1-CD1 3.72Å; I613-L704 HydrophobicContact CD1-CD2 4.28Å; I613-L704 HydrophobicContact CD1-CG 3.93Å; I613-L704 HydrophobicContact CG1-CD1 3.76Å; I613-L704 HydrophobicContact CG1-CG 4.19Å; I613-L704 HydrophobicContact CG2-CD1 3.94Å; I633-L704 HydrophobicContact CG2-CB 4.2Å; L691-L704 HydrophobicContact CB-CD1 3.98Å; L691-L704 HydrophobicContact CD1-CD1 4.15Å; L691-L704 HydrophobicContact CD2-CD1 4.32Å; L691-L704 HydrophobicContact CG-CD1 4.39Å; H695-L704 HydrophobicContact CB-CD2 4.4Å; H695-L704 VanDerWaalsContact CD2-CD2 3.42Å; H695-L704 WeakPolarHBondContact CD2-CD2 3.36Å; V698-L704 HydrophobicContact CG1-CD2 4.32Å; W701-L704 HydrophobicContact CE3-CD1 3.71Å; W701-L704 HydrophobicContact CH2-CD1 4.15Å; W701-L704 HydrophobicContact CZ3-CD1 3.49Å; W701-L704 VanDerWaalsContact CZ3-CD1 3.49Å; W701-L704 WeakPolarHBondContact O-CB 3.09Å; W701-L704 PolarHBondContact O-N 2.91Å; L704-M707 HydrophobicContact CD2-CE 3.67Å; L704-M707 PolarHBondContact O-N 3.06Å; L704-Y708 HydrophobicContact CD2-CD2 4.46Å; L704-Y708 HydrophobicContact CD2-CE2 4.34Å; L704-Y708 WeakPolarHBondContact O-CB 3.42Å; L704-Y708 PolarHBondContact O-N 2.88Å
705	L	85.9	Confident	75	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-39.9	174.1	-69.9	171.2	0	0	0	112.8	L605 F608 L627 I633 W701 S703 G709	L605-L705 HydrophobicContact CD1-CB 4.05Å; L605-L705 HydrophobicContact CD1-CD1 4Å; L605-L705 HydrophobicContact CD2-CB 4.49Å; L605-L705 HydrophobicContact CG-CB 4.38Å; F608-L705 HydrophobicContact CB-CD1 3.92Å; F608-L705 HydrophobicContact CD1-CD1 4.24Å; F608-L705 HydrophobicContact CD2-CD1 3.87Å; F608-L705 HydrophobicContact CE2-CD1 4.45Å; F608-L705 HydrophobicContact CG-CD1 3.75Å; L627-L705 HydrophobicContact CB-CD2 4.35Å; L627-L705 HydrophobicContact CD1-CD1 3.8Å; L627-L705 HydrophobicContact CD1-CD2 4.29Å; I633-L705 HydrophobicContact CD1-CD2 4.31Å; W701-L705 VanDerWaalsContact CD1-CD1 3.45Å; W701-L705 PolarHBondContact O-N 2.85Å; S703-L705 VanDerWaalsContact C-N 3.31Å; L705-G709 WeakPolarHBondContact O-CA 3.46Å; L705-G709 PolarHBondContact O-N 3.43Å
706	R	84.6	Confident	73	Confident	95 Å²	95	68.5 Å²	68.5	36%	0.358	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-40	173	-81.4	-175.7	-72.4	-98	-8.5	112.6	L605 N609 G702 S703	L605-R706 HydrophobicContact CD2-CG 3.67Å; N609-R706 PolarHBondContact OD1-NH1 2.89Å; N609-R706 PolarHBondContact OD1-NH2 3.29Å; G702-R706 WeakPolarHBondContact O-CG 3.34Å; G702-R706 PolarHBondContact O-N 3.11Å; S703-R706 PolarHBondContact O-N 3.29Å; S703-R706 PolarHBondContact OG-NH2 3.43Å
707	M	80.2	Confident	71	Confident	76 Å²	76	71.9 Å²	71.9	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-72	-64.7	176	-69.1	-170.5	-65.7	0	0	110.7	R640 V698 S703 L704	R640-M707 PolarHBondContact NH1-O 2.85Å; V698-M707 HydrophobicContact CG2-CE 4.16Å; S703-M707 WeakPolarHBondContact O-CG 3.47Å; S703-M707 PolarHBondContact O-N 3.29Å; L704-M707 HydrophobicContact CD2-CE 3.67Å; L704-M707 PolarHBondContact O-N 3.06Å
708	Y	84.6	Confident	69.2	Low	20 Å²	20	69.3 Å²	69.3	8%	0.078	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-36.2	-167.1	-57.5	-67.6	0	0	0	114	I633 C637 R640 H695 L704 R710	I633-Y708 HydrophobicContact CG2-CD2 4.26Å; I633-Y708 HydrophobicContact CG2-CG 4.5Å; C637-Y708 HydrophobicContact CB-CD1 4.07Å; C637-Y708 HydrophobicContact CB-CD2 4.35Å; C637-Y708 HydrophobicContact CB-CE1 3.82Å; C637-Y708 HydrophobicContact CB-CE2 4.09Å; C637-Y708 HydrophobicContact CB-CG 4.35Å; C637-Y708 VanDerWaalsContact SG-CZ 3.58Å; C637-Y708 PolarHBondContact SG-OH 2.7Å; R640-Y708 PolarHBondContact NH2-O 2.78Å; H695-Y708 AromaticContact CE1-CE2 3.9Å; H695-Y708 AromaticContact CE1-CZ 3.94Å; H695-Y708 PolarHBondContact CE1-OH 2.75Å; H695-Y708 AromaticContact NE2-CE2 3.47Å; H695-Y708 WeakPolarHBondContact NE2-CE2 3.4Å; H695-Y708 AromaticContact NE2-CZ 3.86Å; L704-Y708 HydrophobicContact CD2-CD2 4.46Å; L704-Y708 HydrophobicContact CD2-CE2 4.34Å; L704-Y708 WeakPolarHBondContact O-CB 3.42Å; L704-Y708 PolarHBondContact O-N 2.88Å; Y708-R710 VanDerWaalsContact C-N 3.3Å; Y708-R710 PolarHBondContact O-N 3.15Å; Y708-R710 VanDerWaalsContact O-N 3.15Å
709	G	72.9	Confident	67.5	Low	17 Å²	17	72.8 Å²	72.8	18%	0.175	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-62.7	-24	-172.6	0	0	0	0	0	116.6	L705 E711	L705-G709 WeakPolarHBondContact O-CA 3.46Å; L705-G709 PolarHBondContact O-N 3.43Å; G709-E711 PolarHBondContact O-N 2.99Å
710	R	65.4	Low	66	Low	163 Å²	163	68.3 Å²	68.3	62%	0.615	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-72.9	7.5	-171.3	-72.3	-177	162.4	-178.5	-6.2	116.7	Y708 N713	Y708-R710 VanDerWaalsContact C-N 3.3Å; Y708-R710 PolarHBondContact O-N 3.15Å; Y708-R710 VanDerWaalsContact O-N 3.15Å; R710-N713 PolarHBondContact O-N 2.9Å
711	E	52.5	Low	64.5	Low	32 Å²	32	68.4 Å²	68.4	15%	0.15	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-81.6	-17.2	-167.7	-150.8	126.6	-120.4	0	0	115.3	E636 R640 G709 N713 K714 M715	E636-E711 WeakPolarHBondContact CG-OE2 3.39Å; R640-E711 IonicContact CZ-OE1 3.15Å; R640-E711 IonicContact CZ-OE2 2.67Å; R640-E711 IonicContact NE-OE1 2.67Å; R640-E711 PolarHBondContact NE-OE1 3.22Å; R640-E711 IonicContact NE-OE2 2.71Å; R640-E711 PolarHBondContact NE-OE2 3.36Å; R640-E711 IonicContact NH2-OE1 2.65Å; R640-E711 IonicContact NH2-OE2 2.66Å; R640-E711 PolarHBondContact NH2-OE2 2.92Å; G709-E711 PolarHBondContact O-N 2.99Å; E711-N713 PolarHBondContact O-N 2.67Å; E711-K714 HydrophobicContact CG-CB 4.16Å; E711-K714 HydrophobicContact CG-CD 4.05Å; E711-K714 HydrophobicContact CG-CG 4.21Å; E711-K714 WeakPolarHBondContact O-CA 3.47Å; E711-K714 WeakPolarHBondContact O-CB 3.39Å; E711-K714 PolarHBondContact O-N 2.69Å; E711-K714 WeakPolarHBondContact OE1-CD 3.4Å; E711-K714 WeakPolarHBondContact OE1-CE 3.33Å; E711-K714 IonicContact OE1-NZ 2.87Å; E711-K714 PolarHBondContact OE1-NZ 3.43Å; E711-M715 PolarHBondContact O-N 3.05Å
712	S	48.9	Very low	63	Low	73 Å²	73	71.9 Å²	71.9	51%	0.51	36%	0.359	S	S	.	.	H	α-helix	trans	-51.5	-42.9	166.3	50.5	0	0	0	0	111.6	K714 M715 V716	S712-K714 PolarHBondContact O-N 2.82Å; S712-M715 PolarHBondContact O-N 3.04Å; S712-M715 VanDerWaalsContact O-N 3.11Å; S712-V716 PolarHBondContact O-N 2.91Å
713	N	43.4	Very low	62.2	Low	77 Å²	77	77 Å²	77	41%	0.412	38%	0.382	S	S	.	.	H	α-helix	trans	-69.8	-14.6	175.9	-81.3	-25.1	0	0	0	114	R710 E711 K717	R710-N713 PolarHBondContact O-N 2.9Å; E711-N713 PolarHBondContact O-N 2.67Å; N713-K717 WeakPolarHBondContact O-CB 3.3Å; N713-K717 PolarHBondContact O-N 3.44Å
714	K	45.8	Very low	61.4	Low	121 Å²	121	76.7 Å²	76.7	53%	0.526	38%	0.38	S	S	.	.	H	α-helix	trans	-79.5	-34.1	167.7	-63.8	-163.3	-165.1	165	0	112.2	E711 S712 K717 K718	E711-K714 HydrophobicContact CG-CB 4.16Å; E711-K714 HydrophobicContact CG-CD 4.05Å; E711-K714 HydrophobicContact CG-CG 4.21Å; E711-K714 WeakPolarHBondContact O-CA 3.47Å; E711-K714 WeakPolarHBondContact O-CB 3.39Å; E711-K714 PolarHBondContact O-N 2.69Å; E711-K714 WeakPolarHBondContact OE1-CD 3.4Å; E711-K714 WeakPolarHBondContact OE1-CE 3.33Å; E711-K714 IonicContact OE1-NZ 2.87Å; E711-K714 PolarHBondContact OE1-NZ 3.43Å; S712-K714 PolarHBondContact O-N 2.82Å; K714-K717 PolarHBondContact O-N 2.96Å; K714-K718 WeakPolarHBondContact O-CB 3.35Å; K714-K718 PolarHBondContact O-N 3Å
715	M	39.2	Very low	60.8	Low	136 Å²	136	79.4 Å²	79.4	67%	0.67	40%	0.396	S	S	*	.	H	α-helix	trans	-63.6	-45.2	172.6	-69.6	-173.6	68.5	0	0	111	E711 S712 K717 K718 E719	E711-M715 PolarHBondContact O-N 3.05Å; S712-M715 PolarHBondContact O-N 3.04Å; S712-M715 VanDerWaalsContact O-N 3.11Å; M715-K717 VanDerWaalsContact C-N 3.35Å; M715-K717 PolarHBondContact O-N 2.81Å; M715-K718 PolarHBondContact O-N 2.7Å; M715-E719 PolarHBondContact O-N 2.74Å
716	V	44.7	Very low	60.4	Low	91 Å²	91	84.5 Å²	84.5	55%	0.552	42%	0.422	S	S	*	.	H	α-helix	trans	-60.7	-42.7	174.9	179.8	0	0	0	0	111.5	S712 E719 S720	S712-V716 PolarHBondContact O-N 2.91Å; V716-E719 PolarHBondContact O-N 3.09Å; V716-S720 PolarHBondContact O-N 3.26Å
717	K	46.3	Very low	60	Low	156 Å²	156	85.2 Å²	85.2	68%	0.678	43%	0.43	S	S	*	.	H	α-helix	trans	-65.8	-38	174.9	-83.8	-177.6	174	176.1	0	113	N713 K714 M715 S720 S721	N713-K717 WeakPolarHBondContact O-CB 3.3Å; N713-K717 PolarHBondContact O-N 3.44Å; K714-K717 PolarHBondContact O-N 2.96Å; M715-K717 VanDerWaalsContact C-N 3.35Å; M715-K717 PolarHBondContact O-N 2.81Å; K717-S720 WeakPolarHBondContact CA-OG 3.37Å; K717-S720 PolarHBondContact O-N 3.08Å; K717-S720 PolarHBondContact O-OG 2.91Å; K717-S721 PolarHBondContact O-N 2.89Å; K717-S721 PolarHBondContact O-OG 3.21Å
718	K	47.7	Very low	59.9	Low	131 Å²	131	83 Å²	83	57%	0.57	42%	0.419	S	S	*	.	H	α-helix	trans	-64.9	-46.7	174.7	-173.6	180	175.4	-172.4	0	111	K714 M715 S720 S721 D722	K714-K718 WeakPolarHBondContact O-CB 3.35Å; K714-K718 PolarHBondContact O-N 3Å; M715-K718 PolarHBondContact O-N 2.7Å; K718-S720 PolarHBondContact O-N 2.85Å; K718-S721 WeakPolarHBondContact CA-OG 3.48Å; K718-S721 PolarHBondContact O-N 3.45Å; K718-S721 VanDerWaalsContact O-N 3.09Å; K718-S721 PolarHBondContact O-OG 2.84Å; K718-D722 VanDerWaalsContact CE-OD2 3.3Å; K718-D722 WeakPolarHBondContact CE-OD2 3.26Å; K718-D722 WeakPolarHBondContact CG-OD2 3.43Å; K718-D722 WeakPolarHBondContact O-CB 3.4Å; K718-D722 PolarHBondContact O-N 2.91Å
719	E	51.3	Low	59.3	Low	105 Å²	105	87.3 Å²	87.3	49%	0.491	44%	0.44	S	S	.	.	H	α-helix	trans	-56.8	-38.1	171.9	-80.3	-165.9	-154.8	0	0	112.2	M715 V716 K723	M715-E719 PolarHBondContact O-N 2.74Å; V716-E719 PolarHBondContact O-N 3.09Å; E719-K723 VanDerWaalsContact O-CB 3.23Å; E719-K723 WeakPolarHBondContact O-CB 3.11Å; E719-K723 VanDerWaalsContact O-CD 3.26Å; E719-K723 WeakPolarHBondContact O-CD 3.44Å; E719-K723 WeakPolarHBondContact O-CG 3.23Å; E719-K723 PolarHBondContact O-N 2.82Å; E719-K723 IonicContact OE2-NZ 2.72Å; E719-K723 PolarHBondContact OE2-NZ 3.38Å
720	S	53.1	Low	59.5	Low	67 Å²	67	92.8 Å²	92.8	47%	0.469	46%	0.461	S	S	.	.	H	α-helix	trans	-69.8	-33.7	175.6	75.5	0	0	0	0	113.9	V716 K717 K718 S724	V716-S720 PolarHBondContact O-N 3.26Å; K717-S720 WeakPolarHBondContact CA-OG 3.37Å; K717-S720 PolarHBondContact O-N 3.08Å; K717-S720 PolarHBondContact O-OG 2.91Å; K718-S720 PolarHBondContact O-N 2.85Å; S720-S724 WeakPolarHBondContact O-CB 3.45Å; S720-S724 PolarHBondContact O-N 2.94Å
721	S	58.5	Low	59.8	Low	46 Å²	46	91.2 Å²	91.2	32%	0.322	46%	0.456	S	S	.	.	H	α-helix	trans	-71	-40	173.9	56.2	0	0	0	0	111.1	K717 K718 S724 V725	K717-S721 PolarHBondContact O-N 2.89Å; K717-S721 PolarHBondContact O-OG 3.21Å; K718-S721 WeakPolarHBondContact CA-OG 3.48Å; K718-S721 PolarHBondContact O-N 3.45Å; K718-S721 VanDerWaalsContact O-N 3.09Å; K718-S721 PolarHBondContact O-OG 2.84Å; S721-S724 CarbonylContact O-C 3.57Å; S721-S724 PolarHBondContact O-N 3.48Å; S721-V725 WeakPolarHBondContact O-CG2 3.38Å; S721-V725 PolarHBondContact O-N 3.37Å
722	D	60.9	Low	61	Low	72 Å²	72	92.6 Å²	92.6	39%	0.385	47%	0.472	S	S	.	.	H	α-helix	trans	-72.2	-41.4	-176.7	-61.2	0.1	0	0	0	109.9	K718 V725 I726	K718-D722 VanDerWaalsContact CE-OD2 3.3Å; K718-D722 WeakPolarHBondContact CE-OD2 3.26Å; K718-D722 WeakPolarHBondContact CG-OD2 3.43Å; K718-D722 WeakPolarHBondContact O-CB 3.4Å; K718-D722 PolarHBondContact O-N 2.91Å; D722-V725 PolarHBondContact O-N 2.68Å; D722-I726 WeakPolarHBondContact O-CG1 3.19Å; D722-I726 PolarHBondContact O-N 3.21Å
723	K	68.4	Low	62.4	Low	108 Å²	108	96.7 Å²	96.7	47%	0.47	48%	0.481	S	S	.	.	H	α-helix	trans	-58.9	-46	167.6	-71.8	161.8	-166.4	164.6	0	111.4	E719 V725 I726 E727	E719-K723 VanDerWaalsContact O-CB 3.23Å; E719-K723 WeakPolarHBondContact O-CB 3.11Å; E719-K723 VanDerWaalsContact O-CD 3.26Å; E719-K723 WeakPolarHBondContact O-CD 3.44Å; E719-K723 WeakPolarHBondContact O-CG 3.23Å; E719-K723 PolarHBondContact O-N 2.82Å; E719-K723 IonicContact OE2-NZ 2.72Å; E719-K723 PolarHBondContact OE2-NZ 3.38Å; K723-V725 VanDerWaalsContact C-N 3.3Å; K723-V725 PolarHBondContact O-N 3.01Å; K723-I726 PolarHBondContact O-N 3.16Å; K723-I726 VanDerWaalsContact O-N 3.16Å; K723-E727 WeakPolarHBondContact O-CG 3.41Å; K723-E727 PolarHBondContact O-N 3.41Å
724	S	69.8	Low	63.7	Low	22 Å²	22	102.8 Å²	102.8	15%	0.154	50%	0.504	C	S	.	.	H	α-helix	trans	-62.1	-34.2	175.6	-175.5	0	0	0	0	112.6	S720 S721 L728 K744	S720-S724 WeakPolarHBondContact O-CB 3.45Å; S720-S724 PolarHBondContact O-N 2.94Å; S721-S724 CarbonylContact O-C 3.57Å; S721-S724 PolarHBondContact O-N 3.48Å; S724-L728 WeakPolarHBondContact O-CB 3.42Å; S724-L728 WeakPolarHBondContact O-CG 3.38Å; S724-L728 PolarHBondContact O-N 3.28Å; S724-K744 PolarHBondContact OG-NZ 3.18Å
725	V	73.8	Confident	65.2	Low	56 Å²	56	105.2 Å²	105.2	34%	0.339	52%	0.523	S	S	.	.	H	α-helix	trans	-69.2	-40.5	174	168.7	0	0	0	0	111.4	S721 D722 K723 L728 Q729	S721-V725 WeakPolarHBondContact O-CG2 3.38Å; S721-V725 PolarHBondContact O-N 3.37Å; D722-V725 PolarHBondContact O-N 2.68Å; K723-V725 VanDerWaalsContact C-N 3.3Å; K723-V725 PolarHBondContact O-N 3.01Å; V725-L728 PolarHBondContact O-N 3.44Å; V725-Q729 WeakPolarHBondContact O-CG 3.19Å; V725-Q729 PolarHBondContact O-N 3.22Å
726	I	76.3	Confident	67.1	Low	110 Å²	110	106.1 Å²	106.1	56%	0.564	52%	0.523	S	S	*	.	H	α-helix	trans	-64.8	-44.9	175.6	-66.4	160.6	0	0	0	110.7	D722 K723 L728 Q729 Q730	D722-I726 WeakPolarHBondContact O-CG1 3.19Å; D722-I726 PolarHBondContact O-N 3.21Å; K723-I726 PolarHBondContact O-N 3.16Å; K723-I726 VanDerWaalsContact O-N 3.16Å; I726-L728 VanDerWaalsContact C-N 3.27Å; I726-L728 PolarHBondContact O-N 3.36Å; I726-Q729 WeakPolarHBondContact O-CB 3.17Å; I726-Q729 PolarHBondContact O-N 3.34Å; I726-Q729 VanDerWaalsContact O-N 3.09Å; I726-Q730 PolarHBondContact O-N 2.94Å
727	E	77.2	Confident	68.7	Low	111 Å²	111	106.5 Å²	106.5	52%	0.519	53%	0.527	S	S	.	.	H	α-helix	trans	-57.5	-40	171.2	-73.6	166.2	-169.1	0	0	111.7	K723 Q729 Q730 Y731	K723-E727 WeakPolarHBondContact O-CG 3.41Å; K723-E727 PolarHBondContact O-N 3.41Å; E727-Q729 VanDerWaalsContact C-N 3.32Å; E727-Q729 PolarHBondContact O-N 3.21Å; E727-Q730 WeakPolarHBondContact O-CG 3.38Å; E727-Q730 PolarHBondContact O-N 2.84Å; E727-Q730 PolarHBondContact O-NE2 3.16Å; E727-Y731 WeakPolarHBondContact O-CD2 3.39Å
728	L	77.4	Confident	70.5	Confident	28 Å²	28	100.2 Å²	100.2	15%	0.147	50%	0.501	C	S	.	.	H	α-helix	trans	-70.3	-27.4	177.3	-72.4	-177.8	0	0	0	112.9	S724 V725 I726 Q730 Y731 N738 H740 I741 K744	S724-L728 WeakPolarHBondContact O-CB 3.42Å; S724-L728 WeakPolarHBondContact O-CG 3.38Å; S724-L728 PolarHBondContact O-N 3.28Å; V725-L728 PolarHBondContact O-N 3.44Å; I726-L728 VanDerWaalsContact C-N 3.27Å; I726-L728 PolarHBondContact O-N 3.36Å; L728-Q730 VanDerWaalsContact C-N 3.28Å; L728-Q730 PolarHBondContact O-N 3.09Å; L728-Y731 HydrophobicContact CD2-CD2 4.29Å; L728-Y731 PolarHBondContact O-N 2.97Å; L728-N738 PolarHBondContact O-ND2 3.33Å; L728-H740 HydrophobicContact CD1-CB 4.48Å; L728-H740 HydrophobicContact CD2-CB 3.63Å; L728-H740 HydrophobicContact CG-CB 4.46Å; L728-I741 HydrophobicContact CB-CG1 3.73Å; L728-K744 HydrophobicContact CD1-CB 3.79Å; L728-K744 HydrophobicContact CD1-CD 4.04Å; L728-K744 HydrophobicContact CD1-CG 3.96Å
729	Q	73.1	Confident	72.3	Confident	111 Å²	111	99.1 Å²	99.1	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-64	-29.7	172.5	-71.5	173	7.3	0	0	112.6	V725 I726 E727 Y731 A732 I741	V725-Q729 WeakPolarHBondContact O-CG 3.19Å; V725-Q729 PolarHBondContact O-N 3.22Å; I726-Q729 WeakPolarHBondContact O-CB 3.17Å; I726-Q729 PolarHBondContact O-N 3.34Å; I726-Q729 VanDerWaalsContact O-N 3.09Å; E727-Q729 VanDerWaalsContact C-N 3.32Å; E727-Q729 PolarHBondContact O-N 3.21Å; Q729-Y731 PolarHBondContact O-N 2.84Å; Q729-Y731 VanDerWaalsContact O-N 3.14Å; Q729-A732 WeakPolarHBondContact O-CB 3.34Å; Q729-A732 PolarHBondContact O-N 3.35Å; Q729-I741 HydrophobicContact CG-CD1 3.77Å
730	Q	75.8	Confident	73.8	Confident	133 Å²	133	98.7 Å²	98.7	62%	0.621	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22	178.6	97.2	-163.2	-74.2	0	0	113.3	I726 E727 L728 A732	I726-Q730 PolarHBondContact O-N 2.94Å; E727-Q730 WeakPolarHBondContact O-CG 3.38Å; E727-Q730 PolarHBondContact O-N 2.84Å; E727-Q730 PolarHBondContact O-NE2 3.16Å; L728-Q730 VanDerWaalsContact C-N 3.28Å; L728-Q730 PolarHBondContact O-N 3.09Å; Q730-A732 VanDerWaalsContact C-N 3.32Å
731	Y	72.9	Confident	75.3	Confident	130 Å²	130	98.1 Å²	98.1	51%	0.51	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	2.7	175.7	-59.6	-78.4	0	0	0	113.8	E727 L728 Q729 K733	E727-Y731 WeakPolarHBondContact O-CD2 3.39Å; L728-Y731 HydrophobicContact CD2-CD2 4.29Å; L728-Y731 PolarHBondContact O-N 2.97Å; Q729-Y731 PolarHBondContact O-N 2.84Å; Q729-Y731 VanDerWaalsContact O-N 3.14Å; Y731-K733 PolarHBondContact O-N 3.28Å
732	A	76.5	Confident	76.6	Confident	60 Å²	60	100.1 Å²	100.1	50%	0.496	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-69.6	120.4	176.2	0	0	0	0	0	111.1	Q729 Q730	Q729-A732 WeakPolarHBondContact O-CB 3.34Å; Q729-A732 PolarHBondContact O-N 3.35Å; Q730-A732 VanDerWaalsContact C-N 3.32Å
733	K	78.3	Confident	77.9	Confident	160 Å²	160	101 Å²	101	70%	0.696	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-100.5	133.3	174.8	-62.7	-176.4	-178.9	-177.8	0	109.1	Y731 N735 K736	Y731-K733 PolarHBondContact O-N 3.28Å; K733-N735 PolarHBondContact O-N 2.83Å; K733-K736 PolarHBondContact O-N 2.89Å
734	K	71.3	Confident	78.8	Confident	205 Å²	205	99 Å²	99	89%	0.891	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	134.8	174.7	-75.3	-173.9	175.6	-179.4	0	109.8	K736	K734-K736 VanDerWaalsContact C-N 3.31Å; K734-K736 PolarHBondContact O-N 2.98Å
735	N	76.4	Confident	79.6	Confident	171 Å²	171	102.7 Å²	102.7	91%	0.914	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	22.4	-178.3	-52.8	-5.1	0	0	0	115.9	K733	K733-N735 PolarHBondContact O-N 2.83Å
736	K	79.3	Confident	80.3	Confident	156 Å²	156	105 Å²	105	68%	0.678	52%	0.517	S	S	*	.	S	Bend	trans	-136.1	143.6	168.1	-67.6	-168	176.3	-172.5	0	112.3	K733 K734	K733-K736 PolarHBondContact O-N 2.89Å; K734-K736 VanDerWaalsContact C-N 3.31Å; K734-K736 PolarHBondContact O-N 2.98Å
737	P	79.1	Confident	80.9	Confident	98 Å²	98	105.3 Å²	105.3	64%	0.636	52%	0.516	S	S	*	.			trans	-67.1	143.6	177.8	28.7	-35.2	0	0	0	111.3	L739 L742	P737-L739 PolarHBondContact O-N 3.48Å; P737-L742 HydrophobicContact CB-CD1 4.31Å
738	N	84.1	Confident	81.3	Confident	24 Å²	24	104.1 Å²	104.1	13%	0.128	51%	0.51	C	S	.	.			trans	-81.2	88.7	177.6	-168.1	-25.5	0	0	0	110.9	L728 H740 I741 L742	L728-N738 PolarHBondContact O-ND2 3.33Å; N738-H740 PolarHBondContact O-N 2.8Å; N738-H740 PolarHBondContact OD1-N 3.43Å; N738-I741 HydrophobicContact CB-CB 4.33Å; N738-I741 HydrophobicContact CB-CD1 4.16Å; N738-I741 HydrophobicContact CB-CG1 4.3Å; N738-I741 VanDerWaalsContact ND2-CD1 3.34Å; N738-I741 WeakPolarHBondContact ND2-CD1 3.16Å; N738-I741 PolarHBondContact O-N 3.3Å; N738-I741 PolarHBondContact OD1-N 3.45Å; N738-L742 WeakPolarHBondContact O-CG 3.2Å; N738-L742 PolarHBondContact O-N 3.14Å; N738-L742 VanDerWaalsContact O-N 3.13Å
739	L	85.1	Confident	81.9	Confident	108 Å²	108	107.9 Å²	107.9	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-58.2	-29.3	-179.8	-62.5	177.3	0	0	0	113.3	P737 L742 N743	P737-L739 PolarHBondContact O-N 3.48Å; L739-L742 HydrophobicContact CD2-CD1 4.34Å; L739-L742 PolarHBondContact O-N 3.44Å; L739-N743 WeakPolarHBondContact O-CB 3.36Å; L739-N743 PolarHBondContact O-N 3.49Å; L739-N743 PolarHBondContact O-OD1 3.09Å
740	H	82.7	Confident	82.7	Confident	97 Å²	97	108.5 Å²	108.5	45%	0.449	53%	0.529	S	S	.	.	H	α-helix	trans	-70.8	-41.5	179.2	-52	99.6	0	0	0	111.8	L728 N738 L742 N743 K744	L728-H740 HydrophobicContact CD1-CB 4.48Å; L728-H740 HydrophobicContact CD2-CB 3.63Å; L728-H740 HydrophobicContact CG-CB 4.46Å; N738-H740 PolarHBondContact O-N 2.8Å; N738-H740 PolarHBondContact OD1-N 3.43Å; H740-L742 VanDerWaalsContact C-N 3.33Å; H740-N743 PolarHBondContact O-N 3.2Å; H740-K744 WeakPolarHBondContact O-CB 3.48Å; H740-K744 PolarHBondContact O-N 3.3Å
741	I	85.3	Confident	83.3	Confident	55 Å²	55	106.9 Å²	106.9	28%	0.282	52%	0.52	S	S	.	.	H	α-helix	trans	-63.7	-41.2	172.6	-65.4	178.1	0	0	0	110.4	L728 Q729 N738 K744 L745	L728-I741 HydrophobicContact CB-CG1 3.73Å; Q729-I741 HydrophobicContact CG-CD1 3.77Å; N738-I741 HydrophobicContact CB-CB 4.33Å; N738-I741 HydrophobicContact CB-CD1 4.16Å; N738-I741 HydrophobicContact CB-CG1 4.3Å; N738-I741 VanDerWaalsContact ND2-CD1 3.34Å; N738-I741 WeakPolarHBondContact ND2-CD1 3.16Å; N738-I741 PolarHBondContact O-N 3.3Å; N738-I741 PolarHBondContact OD1-N 3.45Å; I741-K744 PolarHBondContact O-N 2.85Å; I741-L745 WeakPolarHBondContact O-CB 3.4Å; I741-L745 PolarHBondContact O-N 3.01Å
742	L	85.9	Confident	83.7	Confident	87 Å²	87	103.8 Å²	103.8	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-64.8	-39.9	178	-68.6	169.2	0	0	0	112.5	P737 N738 L739 H740 L745 Q746	P737-L742 HydrophobicContact CB-CD1 4.31Å; N738-L742 WeakPolarHBondContact O-CG 3.2Å; N738-L742 PolarHBondContact O-N 3.14Å; N738-L742 VanDerWaalsContact O-N 3.13Å; L739-L742 HydrophobicContact CD2-CD1 4.34Å; L739-L742 PolarHBondContact O-N 3.44Å; H740-L742 VanDerWaalsContact C-N 3.33Å; L742-L745 PolarHBondContact O-N 3.38Å; L742-Q746 WeakPolarHBondContact O-CB 3.34Å; L742-Q746 PolarHBondContact O-N 2.99Å
743	N	87.4	Confident	84.2	Confident	91 Å²	91	103.5 Å²	103.5	49%	0.487	51%	0.51	S	S	.	.	H	α-helix	trans	-66.2	-46.3	174.7	-70.9	-7.9	0	0	0	111.5	L739 H740 L745 Q746 E747	L739-N743 WeakPolarHBondContact O-CB 3.36Å; L739-N743 PolarHBondContact O-N 3.49Å; L739-N743 PolarHBondContact O-OD1 3.09Å; H740-N743 PolarHBondContact O-N 3.2Å; N743-L745 VanDerWaalsContact C-N 3.29Å; N743-L745 PolarHBondContact O-N 2.94Å; N743-Q746 WeakPolarHBondContact O-CA 3.38Å; N743-Q746 WeakPolarHBondContact O-CB 3.49Å; N743-Q746 PolarHBondContact O-N 2.96Å; N743-E747 PolarHBondContact O-N 3.14Å
744	K	86.3	Confident	84.5	Confident	65 Å²	65	98.9 Å²	98.9	28%	0.283	50%	0.501	S	S	.	.	H	α-helix	trans	-57	-42.5	175.1	-169.2	81.4	177.2	-152.8	0	111.8	S724 L728 H740 I741 E747 E748	S724-K744 PolarHBondContact OG-NZ 3.18Å; L728-K744 HydrophobicContact CD1-CB 3.79Å; L728-K744 HydrophobicContact CD1-CD 4.04Å; L728-K744 HydrophobicContact CD1-CG 3.96Å; H740-K744 WeakPolarHBondContact O-CB 3.48Å; H740-K744 PolarHBondContact O-N 3.3Å; I741-K744 PolarHBondContact O-N 2.85Å; K744-E747 PolarHBondContact O-N 3.34Å; K744-E748 PolarHBondContact O-N 3.42Å
745	L	86.9	Confident	84.7	Confident	100 Å²	100	94 Å²	94	52%	0.524	48%	0.482	S	S	.	.	H	α-helix	trans	-64.1	-41.2	174.3	178.2	61.8	0	0	0	111.6	I741 L742 N743 E747 E748 M749	I741-L745 WeakPolarHBondContact O-CB 3.4Å; I741-L745 PolarHBondContact O-N 3.01Å; L742-L745 PolarHBondContact O-N 3.38Å; N743-L745 VanDerWaalsContact C-N 3.29Å; N743-L745 PolarHBondContact O-N 2.94Å; L745-E747 VanDerWaalsContact C-N 3.35Å; L745-E747 PolarHBondContact O-N 2.71Å; L745-E748 PolarHBondContact O-N 3.48Å; L745-M749 HydrophobicContact CD1-CG 4.06Å; L745-M749 HydrophobicContact CG-CG 4.27Å; L745-M749 VanDerWaalsContact O-CB 3.27Å; L745-M749 WeakPolarHBondContact O-CB 3.29Å; L745-M749 WeakPolarHBondContact O-CG 3.5Å; L745-M749 PolarHBondContact O-N 3.47Å
746	Q	88.6	Confident	84.8	Confident	105 Å²	105	93.8 Å²	93.8	49%	0.491	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-38.7	177.2	-160.3	-162.9	59.2	0	0	112.1	L742 N743 K750	L742-Q746 WeakPolarHBondContact O-CB 3.34Å; L742-Q746 PolarHBondContact O-N 2.99Å; N743-Q746 WeakPolarHBondContact O-CA 3.38Å; N743-Q746 WeakPolarHBondContact O-CB 3.49Å; N743-Q746 PolarHBondContact O-N 2.96Å; Q746-K750 WeakPolarHBondContact O-CB 3.49Å; Q746-K750 WeakPolarHBondContact O-CD 3.38Å; Q746-K750 VanDerWaalsContact O-CG 3.26Å; Q746-K750 WeakPolarHBondContact O-CG 3.3Å; Q746-K750 PolarHBondContact O-N 3.48Å
747	E	89.9	Confident	85.1	Confident	117 Å²	117	91.4 Å²	91.4	55%	0.547	46%	0.46	S	S	.	.	H	α-helix	trans	-65.1	-50.2	175.4	-71.3	175	167.6	0	0	111.9	N743 K744 L745 M749 K750 K751	N743-E747 PolarHBondContact O-N 3.14Å; K744-E747 PolarHBondContact O-N 3.34Å; L745-E747 VanDerWaalsContact C-N 3.35Å; L745-E747 PolarHBondContact O-N 2.71Å; E747-M749 VanDerWaalsContact C-N 3.32Å; E747-M749 PolarHBondContact O-N 2.67Å; E747-K750 PolarHBondContact O-N 3.08Å; E747-K751 VanDerWaalsContact O-CB 3.3Å; E747-K751 WeakPolarHBondContact O-CB 3.33Å; E747-K751 PolarHBondContact O-N 3.17Å
748	E	85.8	Confident	85.1	Confident	85 Å²	85	91.9 Å²	91.9	40%	0.397	45%	0.453	S	S	.	.	H	α-helix	trans	-65	-34.3	177.1	-71.5	-63.1	143.9	0	0	112.2	K744 L745 K751 L752	K744-E748 PolarHBondContact O-N 3.42Å; L745-E748 PolarHBondContact O-N 3.48Å; E748-K751 PolarHBondContact O-N 2.76Å; E748-K751 IonicContact OE1-NZ 3.22Å; E748-K751 PolarHBondContact OE1-NZ 3.33Å; E748-K751 WeakPolarHBondContact OE2-CD 3.06Å; E748-K751 IonicContact OE2-NZ 3.84Å; E748-K751 PolarHBondContact OE2-NZ 3.05Å; E748-L752 WeakPolarHBondContact O-CB 3.5Å; E748-L752 PolarHBondContact O-N 3.47Å
749	M	88.9	Confident	84.4	Confident	107 Å²	107	95.4 Å²	95.4	53%	0.527	48%	0.476	S	S	.	.	H	α-helix	trans	-63.6	-44.7	172.1	-73	-95.2	78.2	0	0	112.4	L745 E747 L752 A753	L745-M749 HydrophobicContact CD1-CG 4.06Å; L745-M749 HydrophobicContact CG-CG 4.27Å; L745-M749 VanDerWaalsContact O-CB 3.27Å; L745-M749 WeakPolarHBondContact O-CB 3.29Å; L745-M749 WeakPolarHBondContact O-CG 3.5Å; L745-M749 PolarHBondContact O-N 3.47Å; E747-M749 VanDerWaalsContact C-N 3.32Å; E747-M749 PolarHBondContact O-N 2.67Å; M749-L752 HydrophobicContact CE-CD2 4.46Å; M749-L752 PolarHBondContact O-N 3.23Å; M749-A753 WeakPolarHBondContact O-CB 3.47Å; M749-A753 PolarHBondContact O-N 2.66Å
750	K	91.1	Very high	83.8	Confident	124 Å²	124	100.6 Å²	100.6	54%	0.539	49%	0.488	S	S	.	.	H	α-helix	trans	-61.7	-44.9	175.2	-75.5	163.5	174.8	168.2	0	111.4	Q746 E747 A753 A754	Q746-K750 WeakPolarHBondContact O-CB 3.49Å; Q746-K750 WeakPolarHBondContact O-CD 3.38Å; Q746-K750 VanDerWaalsContact O-CG 3.26Å; Q746-K750 WeakPolarHBondContact O-CG 3.3Å; Q746-K750 PolarHBondContact O-N 3.48Å; E747-K750 PolarHBondContact O-N 3.08Å; K750-A753 WeakPolarHBondContact O-CB 3.27Å; K750-A753 PolarHBondContact O-N 3.13Å; K750-A754 PolarHBondContact O-N 2.94Å
751	K	86.8	Confident	83.1	Confident	100 Å²	100	103 Å²	103	44%	0.435	50%	0.497	S	S	.	.	H	α-helix	trans	-63.2	-41.5	177.7	175.9	179	162.5	-141.5	0	112.3	E747 E748 A754 Q755	E747-K751 VanDerWaalsContact O-CB 3.3Å; E747-K751 WeakPolarHBondContact O-CB 3.33Å; E747-K751 PolarHBondContact O-N 3.17Å; E748-K751 PolarHBondContact O-N 2.76Å; E748-K751 IonicContact OE1-NZ 3.22Å; E748-K751 PolarHBondContact OE1-NZ 3.33Å; E748-K751 WeakPolarHBondContact OE2-CD 3.06Å; E748-K751 IonicContact OE2-NZ 3.84Å; E748-K751 PolarHBondContact OE2-NZ 3.05Å; K751-A754 PolarHBondContact O-N 3.36Å; K751-Q755 WeakPolarHBondContact O-CG 3.5Å; K751-Q755 PolarHBondContact O-N 3.06Å
752	L	81.4	Confident	81.5	Confident	65 Å²	65	106 Å²	106	34%	0.34	51%	0.508	S	S	.	.	H	α-helix	trans	-70.7	-32.4	175.8	-172.6	146.2	0	0	0	112.2	E748 M749 R756	E748-L752 WeakPolarHBondContact O-CB 3.5Å; E748-L752 PolarHBondContact O-N 3.47Å; M749-L752 HydrophobicContact CE-CD2 4.46Å; M749-L752 PolarHBondContact O-N 3.23Å; L752-R756 HydrophobicContact CD2-CG 4.42Å; L752-R756 WeakPolarHBondContact O-CB 3.44Å; L752-R756 WeakPolarHBondContact O-CG 3.46Å; L752-R756 PolarHBondContact O-N 3.22Å
753	A	87.4	Confident	79.4	Confident	53 Å²	53	107.6 Å²	107.6	44%	0.438	52%	0.523	S	S	.	.	H	α-helix	trans	-64.8	-46	169.7	0	0	0	0	0	111.7	M749 K750 Q755 R756 E757	M749-A753 WeakPolarHBondContact O-CB 3.47Å; M749-A753 PolarHBondContact O-N 2.66Å; K750-A753 WeakPolarHBondContact O-CB 3.27Å; K750-A753 PolarHBondContact O-N 3.13Å; A753-Q755 PolarHBondContact O-N 3.47Å; A753-R756 PolarHBondContact O-N 3.04Å; A753-E757 PolarHBondContact O-N 2.86Å
754	A	84.8	Confident	77.4	Confident	63 Å²	63	112.7 Å²	112.7	52%	0.521	54%	0.541	S	S	.	.	H	α-helix	trans	-60	-44	175.9	0	0	0	0	0	112.3	K750 K751 R756 E757 E758	K750-A754 PolarHBondContact O-N 2.94Å; K751-A754 PolarHBondContact O-N 3.36Å; A754-R756 PolarHBondContact O-N 3.49Å; A754-E757 PolarHBondContact O-N 3.36Å; A754-E758 PolarHBondContact O-N 3.01Å
755	Q	75.9	Confident	75.2	Confident	103 Å²	103	118 Å²	118	48%	0.481	57%	0.569	S	S	.	*	H	α-helix	trans	-61.1	-42.9	174.1	-73	173.2	5.1	0	0	112.4	K751 A753 E757 E758 T759	K751-Q755 WeakPolarHBondContact O-CG 3.5Å; K751-Q755 PolarHBondContact O-N 3.06Å; A753-Q755 PolarHBondContact O-N 3.47Å; Q755-E757 VanDerWaalsContact C-N 3.3Å; Q755-E757 PolarHBondContact O-N 3.4Å; Q755-E758 PolarHBondContact O-N 3.41Å; Q755-T759 WeakPolarHBondContact O-CG2 3.44Å; Q755-T759 PolarHBondContact O-N 2.9Å; Q755-T759 PolarHBondContact O-OG1 3.42Å
756	R	79	Confident	72.8	Confident	167 Å²	167	119.4 Å²	119.4	63%	0.63	58%	0.582	S	S	*	*	H	α-helix	trans	-61.5	-38.3	175.1	-78.9	176.8	172	178.1	-1.5	112	L752 A753 A754 T759 R760	L752-R756 HydrophobicContact CD2-CG 4.42Å; L752-R756 WeakPolarHBondContact O-CB 3.44Å; L752-R756 WeakPolarHBondContact O-CG 3.46Å; L752-R756 PolarHBondContact O-N 3.22Å; A753-R756 PolarHBondContact O-N 3.04Å; A754-R756 PolarHBondContact O-N 3.49Å; R756-T759 WeakPolarHBondContact CA-OG1 3.41Å; R756-T759 PolarHBondContact O-N 3.48Å; R756-T759 PolarHBondContact O-OG1 2.96Å; R756-R760 WeakPolarHBondContact O-CG 3.26Å; R756-R760 PolarHBondContact O-N 3.3Å; R756-R760 VanDerWaalsContact O-N 3.09Å
757	E	85.3	Confident	70.4	Confident	106 Å²	106	121.6 Å²	121.6	50%	0.495	60%	0.596	S	S	.	*	H	α-helix	trans	-71.5	-38.2	176.7	-162	175.5	133	0	0	112.3	A753 A754 Q755 T759 R760 K761	A753-E757 PolarHBondContact O-N 2.86Å; A754-E757 PolarHBondContact O-N 3.36Å; Q755-E757 VanDerWaalsContact C-N 3.3Å; Q755-E757 PolarHBondContact O-N 3.4Å; E757-T759 PolarHBondContact O-N 2.93Å; E757-R760 PolarHBondContact O-N 2.89Å; E757-R760 VanDerWaalsContact O-N 3.14Å; E757-K761 HydrophobicContact CG-CD 4.45Å; E757-K761 WeakPolarHBondContact O-CG 3.41Å; E757-K761 PolarHBondContact O-N 2.95Å; E757-K761 VanDerWaalsContact O-N 3.08Å; E757-K761 VanDerWaalsContact OE1-CE 3.24Å; E757-K761 WeakPolarHBondContact OE1-CE 3.47Å; E757-K761 IonicContact OE1-NZ 2.62Å; E757-K761 PolarHBondContact OE1-NZ 2.93Å
758	E	77.9	Confident	67.8	Low	108 Å²	108	124.1 Å²	124.1	51%	0.505	61%	0.609	S	S	.	*	H	α-helix	trans	-59.2	-45	171.1	-164.5	-156	134.5	0	0	111.2	A754 Q755 R760 K761 K762	A754-E758 PolarHBondContact O-N 3.01Å; Q755-E758 PolarHBondContact O-N 3.41Å; E758-R760 VanDerWaalsContact C-N 3.25Å; E758-R760 PolarHBondContact O-N 3.22Å; E758-K761 PolarHBondContact O-N 3.46Å; E758-K761 VanDerWaalsContact O-N 3.17Å; E758-K762 PolarHBondContact O-N 3.24Å; E758-K762 VanDerWaalsContact OE1-CE 3.29Å; E758-K762 WeakPolarHBondContact OE1-CE 3.24Å; E758-K762 IonicContact OE1-NZ 3.17Å; E758-K762 PolarHBondContact OE1-NZ 3.36Å
759	T	70.4	Confident	65.5	Low	97 Å²	97	128.7 Å²	128.7	60%	0.595	63%	0.631	S	S	*	*	H	α-helix	trans	-66.1	-25.4	176	56.2	0	0	0	0	113.6	Q755 R756 E757	Q755-T759 WeakPolarHBondContact O-CG2 3.44Å; Q755-T759 PolarHBondContact O-N 2.9Å; Q755-T759 PolarHBondContact O-OG1 3.42Å; R756-T759 WeakPolarHBondContact CA-OG1 3.41Å; R756-T759 PolarHBondContact O-N 3.48Å; R756-T759 PolarHBondContact O-OG1 2.96Å; E757-T759 PolarHBondContact O-N 2.93Å
760	R	71.4	Confident	63	Low	217 Å²	217	129.1 Å²	129.1	82%	0.819	64%	0.644	S	S	*	*	H	α-helix	trans	-78.9	-22.6	174.4	-78.6	175.1	171.7	-166.6	-3.7	113.4	R756 E757 E758	R756-R760 WeakPolarHBondContact O-CG 3.26Å; R756-R760 PolarHBondContact O-N 3.3Å; R756-R760 VanDerWaalsContact O-N 3.09Å; E757-R760 PolarHBondContact O-N 2.89Å; E757-R760 VanDerWaalsContact O-N 3.14Å; E758-R760 VanDerWaalsContact C-N 3.25Å; E758-R760 PolarHBondContact O-N 3.22Å
761	K	69.2	Low	60.4	Low	148 Å²	148	127.9 Å²	127.9	64%	0.643	66%	0.657	S	S	*	*	H	α-helix	trans	-88.5	-7.7	-179.7	-73.7	173.3	-178.1	170.9	0	113.9	E757 E758	E757-K761 HydrophobicContact CG-CD 4.45Å; E757-K761 WeakPolarHBondContact O-CG 3.41Å; E757-K761 PolarHBondContact O-N 2.95Å; E757-K761 VanDerWaalsContact O-N 3.08Å; E757-K761 VanDerWaalsContact OE1-CE 3.24Å; E757-K761 WeakPolarHBondContact OE1-CE 3.47Å; E757-K761 IonicContact OE1-NZ 2.62Å; E757-K761 PolarHBondContact OE1-NZ 2.93Å; E758-K761 PolarHBondContact O-N 3.46Å; E758-K761 VanDerWaalsContact O-N 3.17Å
762	K	50.7	Low	57.9	Low	119 Å²	119	131.9 Å²	131.9	52%	0.517	68%	0.677	S	S	.	*	S	Bend	trans	-79.7	124.9	172.1	-68.1	175.1	-172.6	174.7	0	108.7	E758 K764	E758-K762 PolarHBondContact O-N 3.24Å; E758-K762 VanDerWaalsContact OE1-CE 3.29Å; E758-K762 WeakPolarHBondContact OE1-CE 3.24Å; E758-K762 IonicContact OE1-NZ 3.17Å; E758-K762 PolarHBondContact OE1-NZ 3.36Å; K762-K764 PolarHBondContact O-N 3.31Å
763	P	43.4	Very low	56	Low	120 Å²	120	135.1 Å²	135.1	78%	0.779	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-63.9	134.9	-179.2	26.3	-33.7	0	0	0	109.9	M765	P763-M765 PolarHBondContact O-N 3.2Å
764	K	44.8	Very low	53.6	Low	197 Å²	197	136.3 Å²	136.3	86%	0.857	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-65.1	124.8	164.4	-70.8	-176.1	175.8	-175.3	0	107.5	K762 T766	K762-K764 PolarHBondContact O-N 3.31Å; K764-T766 PolarHBondContact O-N 3.43Å
765	M	38.9	Very low	51.1	Low	178 Å²	178	138.7 Å²	138.7	88%	0.877	73%	0.732	S	S	*	*			trans	-67.7	100.6	164.7	-76.2	176.8	64.5	0	0	108.4	P763 I767	P763-M765 PolarHBondContact O-N 3.2Å; M765-I767 PolarHBondContact O-N 2.97Å
766	T	36.8	Very low	49.4	Very low	128 Å²	128	142.3 Å²	142.3	79%	0.785	75%	0.749	S	S	*	*			trans	-64.9	113.7	159.7	-54.6	0	0	0	0	106.9	K764 M768	K764-T766 PolarHBondContact O-N 3.43Å; T766-M768 PolarHBondContact O-N 2.88Å; T766-M768 VanDerWaalsContact O-N 3.16Å
767	I	39.7	Very low	47.6	Very low	152 Å²	152	140.4 Å²	140.4	78%	0.779	76%	0.759	S	S	*	*			trans	-67.9	111.8	167.4	-62.2	176.5	0	0	0	105.6	M765 E769	M765-I767 PolarHBondContact O-N 2.97Å; I767-E769 PolarHBondContact O-N 3.42Å
768	M	34.6	Very low	45.3	Very low	170 Å²	170	142.7 Å²	142.7	84%	0.837	77%	0.773	S	S	*	*			trans	-73.2	119.3	174.4	-164.2	171.2	81.1	0	0	107.8	T766 S770	T766-M768 PolarHBondContact O-N 2.88Å; T766-M768 VanDerWaalsContact O-N 3.16Å; M768-S770 PolarHBondContact O-N 3.42Å
769	E	36.8	Very low	43.2	Very low	180 Å²	180	142.7 Å²	142.7	84%	0.841	78%	0.784	S	S	*	*			trans	-70.4	126	-174.2	-170.6	166.1	-172.3	0	0	110.7	I767 A771	I767-E769 PolarHBondContact O-N 3.42Å; E769-A771 VanDerWaalsContact C-N 3.3Å; E769-A771 PolarHBondContact O-N 2.94Å
770	S	37.6	Very low	41.8	Very low	117 Å²	117	143.9 Å²	143.9	82%	0.818	79%	0.791	S	S	*	*			trans	-77.4	74.7	-173.8	-52.9	0	0	0	0	111.6	M768 Q772	M768-S770 PolarHBondContact O-N 3.42Å; S770-Q772 PolarHBondContact O-N 3.06Å; S770-Q772 VanDerWaalsContact O-N 3.08Å
771	A	35.8	Very low	40.1	Very low	97 Å²	97	138.8 Å²	138.8	80%	0.802	78%	0.784	S	S	*	*			trans	-58.9	112.4	174.8	0	0	0	0	0	111	E769	E769-A771 VanDerWaalsContact C-N 3.3Å; E769-A771 PolarHBondContact O-N 2.94Å
772	Q	33.8	Very low	38.5	Very low	185 Å²	185	138.9 Å²	138.9	86%	0.864	79%	0.792	S	S	*	*			trans	-72.5	147	164.4	-80.8	-168.4	-51.8	0	0	109.8	S770	S770-Q772 PolarHBondContact O-N 3.06Å; S770-Q772 VanDerWaalsContact O-N 3.08Å
773	P	41.5	Very low	37.8	Very low	133 Å²	133	143.3 Å²	143.3	86%	0.864	83%	0.828	S	S	*	*			trans	-81.2	144.6	-176.5	32.8	-35	0	0	0	112.1
774	G	37	Very low	37.6	Very low	77 Å²	77	144.5 Å²	144.5	79%	0.794	83%	0.83	S	S	*	*			trans	135.2	60	157.8	0	0	0	0	0	118.4
775	S	32.6	Very low	37.2	Very low	114 Å²	114	141.7 Å²	141.7	80%	0.797	83%	0.829	S	S	*	*			trans	-167.4	98.7	148.6	54.8	0	0	0	0	111.9
776	E	39.8	Very low	37.1	Very low	179 Å²	179	139.7 Å²	139.7	84%	0.836	83%	0.826	S	S	*	*			trans	-91.3	124.2	163.3	-71	-172.4	159.9	0	0	110
777	P	41.5	Very low	37.1	Very low	127 Å²	127	140.4 Å²	140.4	83%	0.825	83%	0.829	S	S	*	*			trans	-95.8	105.5	160.8	32.7	-26.8	0	0	0	110.2	C779	P777-C779 PolarHBondContact O-N 2.62Å
778	L	36.9	Very low	36.9	Very low	154 Å²	154	139.6 Å²	139.6	81%	0.806	83%	0.832	S	S	*	*			trans	-79	114.2	175.4	-100	163.6	0	0	0	111.9
779	C	34.7	Very low	37.1	Very low	107 Å²	107	137.6 Å²	137.6	72%	0.723	83%	0.832	S	S	*	*			trans	-151.5	115.5	155.7	-95.1	0	0	0	0	107.2	P777	P777-C779 PolarHBondContact O-N 2.62Å
780	T	41	Very low	37.1	Very low	122 Å²	122	134.6 Å²	134.6	75%	0.748	83%	0.831	S	S	*	*				61.5	140.6	96.9	64.4	0	0	0	0	112.9
781	V	34.8	Very low	37.1	Very low	111 Å²	111	135.9 Å²	135.9	67%	0.673	83%	0.832	S	S	*	*			cis	-154.8	146.7	44.1	167.6	0	0	0	0	109.8
782	D	36.9	Very low	37.2	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	83%	0.834	S	S	*	*			trans	44.2	148.2	160.7	-51.3	-13	0	0	0	120.8
783	V	35.8	Very low	37.5	Very low	211 Å²	211	135 Å²	135	100%	1.279	83%	0.832	S	S	*	*			cis	-132.2	0	13.7	176.2	0	0	0	0	110

Retrieved 783 of 783 residues in 333.3 ms (Link to these results)

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