A0A075B788_HUMAN Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A075B788, Species HUMAN (Homo sapiens, Human), Gene PTPRC, Length 753 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	38.4	Very low	45.3	Very low	227 Å²	227	134.3 Å²	134.3	100%	1.118	66%	0.664	S	S	*	*				0	140.8	0	-157.9	127.4	68	0	0	108.3
2	T	46.5	Very low	45.2	Very low	104 Å²	104	136 Å²	136	64%	0.638	67%	0.665	S	S	*	*			trans	-93.7	154.7	-160.2	46.6	0	0	0	0	115.4	Y4 L5	T2-Y4 PolarHBondContact O-N 3.06Å; T2-L5 PolarHBondContact O-N 3.46Å
3	M	37.9	Very low	44.8	Very low	153 Å²	153	129.8 Å²	129.8	75%	0.754	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.9	-23.1	175.6	-171	171.9	73.7	0	0	114.6	L5 W6 L7	M3-L5 VanDerWaalsContact C-N 3.26Å; M3-L5 PolarHBondContact O-N 2.97Å; M3-W6 PolarHBondContact O-N 3.17Å; M3-L7 HydrophobicContact CG-CD1 4.41Å; M3-L7 PolarHBondContact O-N 2.66Å
4	Y	44.8	Very low	44.5	Very low	170 Å²	170	131.6 Å²	131.6	67%	0.667	66%	0.66	S	S	*	*	H	α-helix	trans	-61.3	-28.9	179.3	-153.2	-107.6	0	0	0	114	T2	T2-Y4 PolarHBondContact O-N 3.06Å
5	L	50.9	Low	43.9	Very low	100 Å²	100	127.9 Å²	127.9	52%	0.524	66%	0.657	S	S	.	*	H	α-helix	trans	-73	-34.3	178.4	-162.4	68.6	0	0	0	111.9	T2 M3 K8 L9	T2-L5 PolarHBondContact O-N 3.46Å; M3-L5 VanDerWaalsContact C-N 3.26Å; M3-L5 PolarHBondContact O-N 2.97Å; L5-K8 PolarHBondContact O-N 3.23Å; L5-L9 PolarHBondContact O-N 2.6Å
6	W	45.5	Very low	43.6	Very low	181 Å²	181	131.3 Å²	131.3	69%	0.686	67%	0.667	S	S	*	*	H	α-helix	trans	-69.9	-37.7	178.7	-73.5	93	0	0	0	112.5	M3 K8 L9 L10	M3-W6 PolarHBondContact O-N 3.17Å; W6-K8 VanDerWaalsContact C-N 3.28Å; W6-K8 PolarHBondContact O-N 2.85Å; W6-L9 PolarHBondContact O-N 3Å; W6-L10 PolarHBondContact O-N 3.12Å; W6-L10 VanDerWaalsContact O-N 3.09Å
7	L	50.1	Low	43.2	Very low	109 Å²	109	132 Å²	132	57%	0.571	67%	0.671	S	S	*	*	H	α-helix	trans	-61.1	-36	172.6	-94.9	76.9	0	0	0	112.5	M3 L10 A11	M3-L7 HydrophobicContact CG-CD1 4.41Å; M3-L7 PolarHBondContact O-N 2.66Å; L7-L10 PolarHBondContact O-N 2.86Å; L7-A11 PolarHBondContact O-N 3.06Å
8	K	45.3	Very low	42.6	Very low	133 Å²	133	133.3 Å²	133.3	58%	0.578	68%	0.68	S	S	*	*	H	α-helix	trans	-68.8	-36.7	178.4	-75.7	-164.7	171	-166.5	0	113.2	L5 W6 F12	L5-K8 PolarHBondContact O-N 3.23Å; W6-K8 VanDerWaalsContact C-N 3.28Å; W6-K8 PolarHBondContact O-N 2.85Å; K8-F12 PolarHBondContact O-N 2.97Å
9	L	47.4	Very low	41.9	Very low	116 Å²	116	133.7 Å²	133.7	61%	0.607	69%	0.69	S	S	*	*	H	α-helix	trans	-66.4	-40.4	172.6	-84.4	165.6	0	0	0	111.8	L5 W6 A11 F12 G13	L5-L9 PolarHBondContact O-N 2.6Å; W6-L9 PolarHBondContact O-N 3Å; L9-A11 VanDerWaalsContact C-N 3.35Å; L9-A11 PolarHBondContact O-N 3.33Å; L9-F12 PolarHBondContact O-N 3.31Å; L9-G13 PolarHBondContact O-N 2.97Å
10	L	46.1	Very low	41.3	Very low	118 Å²	118	136.2 Å²	136.2	62%	0.618	70%	0.698	S	S	*	*	H	α-helix	trans	-64.2	-39	176.7	-129.7	166.4	0	0	0	112	W6 L7 F12 G13 F14	W6-L10 PolarHBondContact O-N 3.12Å; W6-L10 VanDerWaalsContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 2.86Å; L10-F12 PolarHBondContact O-N 3.02Å; L10-G13 PolarHBondContact O-N 2.72Å; L10-F14 HydrophobicContact CD2-CD2 4.41Å; L10-F14 HydrophobicContact CD2-CE2 4.04Å
11	A	45.2	Very low	40.7	Very low	66 Å²	66	134.5 Å²	134.5	55%	0.545	69%	0.694	S	S	.	*	H	α-helix	trans	-64.3	-36.6	174.4	0	0	0	0	0	113.1	L7 L9 G13 F14	L7-A11 PolarHBondContact O-N 3.06Å; L9-A11 VanDerWaalsContact C-N 3.35Å; L9-A11 PolarHBondContact O-N 3.33Å; A11-G13 VanDerWaalsContact C-N 3.3Å; A11-G13 PolarHBondContact O-N 3.14Å; A11-F14 PolarHBondContact O-N 3.21Å
12	F	44	Very low	40.2	Very low	155 Å²	155	132.5 Å²	132.5	68%	0.68	68%	0.679	S	S	*	*	H	α-helix	trans	-66.1	-30.7	176.4	-114.4	-89.1	0	0	0	113	K8 L9 L10 F14 A15	K8-F12 PolarHBondContact O-N 2.97Å; L9-F12 PolarHBondContact O-N 3.31Å; L10-F12 PolarHBondContact O-N 3.02Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 2.93Å; F12-A15 PolarHBondContact O-N 3.37Å
13	G	40.5	Very low	39.3	Very low	56 Å²	56	133.2 Å²	133.2	58%	0.577	68%	0.683	S	S	*	*	H	α-helix	trans	-68	-23.6	178.6	0	0	0	0	0	114.9	L9 L10 A11	L9-G13 PolarHBondContact O-N 2.97Å; L10-G13 PolarHBondContact O-N 2.72Å; A11-G13 VanDerWaalsContact C-N 3.3Å; A11-G13 PolarHBondContact O-N 3.14Å
14	F	40.4	Very low	38.9	Very low	155 Å²	155	132.8 Å²	132.8	68%	0.68	69%	0.69	S	S	*	*	H	α-helix	trans	-87.9	-12.4	178.2	-85.3	-86.4	0	0	0	113.9	L10 A11 F12 F16	L10-F14 HydrophobicContact CD2-CD2 4.41Å; L10-F14 HydrophobicContact CD2-CE2 4.04Å; A11-F14 PolarHBondContact O-N 3.21Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 2.93Å; F14-F16 PolarHBondContact O-N 3.44Å
15	A	36.1	Very low	38	Very low	75 Å²	75	128 Å²	128	62%	0.62	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	3.7	-175	0	0	0	0	0	115	F12	F12-A15 PolarHBondContact O-N 3.37Å
16	F	39.2	Very low	36.9	Very low	183 Å²	183	132.1 Å²	132.1	80%	0.803	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	14.1	-178.2	-92.3	-82.1	0	0	0	114.1	F14	F14-F16 PolarHBondContact O-N 3.44Å
17	L	35.2	Very low	36	Very low	143 Å²	143	128.7 Å²	128.7	75%	0.749	71%	0.712	S	S	*	*	S	Bend	trans	-127.7	33.6	-175.4	-73.1	175	0	0	0	114.3
18	D	32.4	Very low	35.3	Very low	156 Å²	156	129.5 Å²	129.5	83%	0.834	72%	0.724	S	S	*	*			trans	-162	115.9	160.1	-119.4	-26.5	0	0	0	112.3
19	T	30.6	Very low	34.6	Very low	140 Å²	140	129.3 Å²	129.3	86%	0.859	73%	0.734	S	S	*	*			trans	-156.3	105.7	165.7	50.7	0	0	0	0	111.9
20	E	28.8	Very low	34.3	Very low	183 Å²	183	129.2 Å²	129.2	86%	0.855	74%	0.741	S	S	*	*			trans	-132.2	112.6	158.9	-95.4	-144.7	157.3	0	0	112.5
21	V	28.6	Very low	33.4	Very low	102 Å²	102	128.8 Å²	128.8	62%	0.618	75%	0.747	S	S	*	*			trans	66	152.2	144	-151.8	0	0	0	0	120.8
22	F	27.7	Very low	33	Very low	184 Å²	184	131.6 Å²	131.6	81%	0.807	76%	0.76	S	S	*	*			trans	76.7	118.7	173.3	-58.9	-75.3	0	0	0	117.2
23	V	28.6	Very low	32.3	Very low	119 Å²	119	131.1 Å²	131.1	72%	0.721	77%	0.77	S	S	*	*			cis	102.6	135.4	16.7	-176.3	0	0	0	0	114.5
24	T	28.7	Very low	31.7	Very low	145 Å²	145	131.6 Å²	131.6	89%	0.89	78%	0.775	S	S	*	*			trans	75.8	139.8	-172.1	73.5	0	0	0	0	115.9
25	G	26.4	Very low	31.1	Very low	69 Å²	69	132.5 Å²	132.5	71%	0.711	79%	0.786	S	S	*	*			cis	-174.8	152.7	-8.6	0	0	0	0	0	115.1
26	Q	27.7	Very low	30.8	Very low	187 Å²	187	134.6 Å²	134.6	87%	0.874	79%	0.791	S	S	*	*			trans	38.4	118.8	157.8	-71.4	175.3	-33.2	0	0	122.9
27	S	28	Very low	30.2	Very low	108 Å²	108	132 Å²	132	76%	0.755	79%	0.79	S	S	*	*				40.5	144.2	113	-57.7	0	0	0	0	121.4
28	P	35.3	Very low	29.8	Very low	127 Å²	127	129.9 Å²	129.9	83%	0.825	79%	0.794	S	S	*	*			cis	-149.1	165.2	45.3	42.3	-22.5	0	0	0	120.2
29	T	30.6	Very low	29.7	Very low	129 Å²	129	130.8 Å²	130.8	79%	0.791	79%	0.79	S	S	*	*			trans	-78.3	167.4	161.1	-1.9	0	0	0	0	111.4
30	P	39.9	Very low	29.5	Very low	114 Å²	114	131.4 Å²	131.4	74%	0.74	79%	0.785	S	S	*	*				-155.6	161.1	67.4	40.8	-19.1	0	0	0	120.1
31	S	28.5	Very low	30.3	Very low	109 Å²	109	128.3 Å²	128.3	76%	0.762	78%	0.781	S	S	*	*			trans	41.9	148.9	137.6	-46.5	0	0	0	0	123
32	P	36.9	Very low	30.3	Very low	124 Å²	124	128.6 Å²	128.6	81%	0.805	79%	0.787	S	S	*	*				-143.1	163.9	86.9	39.9	-25.6	0	0	0	117.1
33	T	29.1	Very low	30.5	Very low	146 Å²	146	126.1 Å²	126.1	90%	0.896	79%	0.787	S	S	*	*			trans	-83	169.6	162.5	35.7	0	0	0	0	111.2
34	G	27.8	Very low	31.2	Very low	66 Å²	66	126.1 Å²	126.1	68%	0.68	79%	0.79	S	S	*	*			cis	166.5	-167.9	-2.3	0	0	0	0	0	111.8
35	L	27.6	Very low	31.4	Very low	173 Å²	173	127.1 Å²	127.1	91%	0.906	79%	0.789	S	S	*	*			trans	79.5	141.8	167.1	-96.7	69	0	0	0	122.8
36	T	28.5	Very low	31.5	Very low	119 Å²	119	129 Å²	129	73%	0.73	79%	0.791	S	S	*	*			trans	-67.6	177.7	175.6	53.7	0	0	0	0	114.3
37	T	27.6	Very low	31.6	Very low	128 Å²	128	125.1 Å²	125.1	79%	0.785	79%	0.785	S	S	*	*			cis	-166.4	156.2	19.5	-19.5	0	0	0	0	111.8
38	A	26.6	Very low	31.7	Very low	100 Å²	100	127 Å²	127	83%	0.826	79%	0.786	S	S	*	*			trans	-159.4	153.9	154.1	0	0	0	0	0	111.2
39	K	29.3	Very low	32.2	Very low	174 Å²	174	126.7 Å²	126.7	76%	0.757	78%	0.784	S	S	*	*			trans	-160.9	145	-173.7	-162.6	-171.2	-179.5	-172.5	0	115.6
40	M	27.1	Very low	32.3	Very low	154 Å²	154	127.6 Å²	127.6	76%	0.759	78%	0.783	S	S	*	*			trans	68.5	165.1	156.5	-97	166.5	155.6	0	0	118.9
41	P	46.7	Very low	32.4	Very low	118 Å²	118	127 Å²	127	77%	0.766	78%	0.78	S	S	*	*			cis	-116.4	-162.1	-12.8	38.5	-20.9	0	0	0	111.4
42	S	27.8	Very low	32.4	Very low	107 Å²	107	126.8 Å²	126.8	75%	0.748	77%	0.774	S	S	*	*			cis	-159.9	159	19	50	0	0	0	0	113.5
43	V	31.6	Very low	32.1	Very low	132 Å²	132	128.4 Å²	128.4	80%	0.8	77%	0.77	S	S	*	*			trans	-147.4	130.5	-177.4	173.1	0	0	0	0	112.5
44	P	44.1	Very low	32	Very low	120 Å²	120	126.4 Å²	126.4	78%	0.779	76%	0.758	S	S	*	*				-140.3	162.8	125.2	39.3	-27.7	0	0	0	113
45	L	31.4	Very low	32	Very low	165 Å²	165	129.6 Å²	129.6	86%	0.864	77%	0.765	S	S	*	*			cis	100.5	113.8	4.6	-162.1	152.7	0	0	0	117.7
46	S	29.5	Very low	31.9	Very low	108 Å²	108	124.9 Å²	124.9	76%	0.755	75%	0.75	S	S	*	*			trans	178.2	148.9	161.5	-155.6	0	0	0	0	108.6
47	S	28.9	Very low	31.8	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	76%	0.759	S	S	*	*			cis	-167.4	152.4	-15.3	38.3	0	0	0	0	111.1
48	D	30.6	Very low	31.7	Very low	146 Å²	146	128.1 Å²	128.1	78%	0.781	76%	0.758	S	S	*	*			trans	-70.2	169	172.3	-105	-48.9	0	0	0	113.7
49	P	46.3	Very low	32.9	Very low	121 Å²	121	129.3 Å²	129.3	79%	0.786	76%	0.757	S	S	*	*				-154.7	177.4	55.7	43.2	-20.9	0	0	0	121.3
50	L	31.7	Very low	32.7	Very low	148 Å²	148	125.4 Å²	125.4	78%	0.775	76%	0.757	S	S	*	*			trans	-71.8	-177.2	165.8	-117.2	79.7	0	0	0	113.1
51	P	42.8	Very low	32.6	Very low	103 Å²	103	123.2 Å²	123.2	67%	0.669	76%	0.757	S	S	*	*			cis	-148.2	171.3	28.6	45.3	-24.9	0	0	0	120.4
52	T	29.1	Very low	31.5	Very low	104 Å²	104	124.1 Å²	124.1	64%	0.638	76%	0.76	S	S	*	*			trans	47.3	151.5	145.1	55.9	0	0	0	0	122.3
53	H	30.1	Very low	31.3	Very low	157 Å²	157	127.5 Å²	127.5	73%	0.727	76%	0.762	S	S	*	*				-170.5	138.7	55.5	-115.9	-68.2	0	0	0	116.4
54	T	27.5	Very low	31.3	Very low	105 Å²	105	127.2 Å²	127.2	64%	0.644	75%	0.752	S	S	*	*			trans	46.7	123.6	141.7	28.1	0	0	0	0	126.2
55	T	27.2	Very low	30.5	Very low	133 Å²	133	129.9 Å²	129.9	82%	0.816	75%	0.746	S	S	*	*			trans	59.6	161.8	133	55.2	0	0	0	0	122.4
56	A	26.2	Very low	30.4	Very low	73 Å²	73	128 Å²	128	60%	0.603	73%	0.733	S	S	*	*			cis	-177.2	174.2	-29.8	0	0	0	0	0	109.9
57	F	25.8	Very low	30.4	Very low	208 Å²	208	129 Å²	129	91%	0.912	73%	0.73	S	S	*	*			trans	74	131.8	165.3	-67.9	-79.3	0	0	0	121.5
58	S	24.7	Very low	30.3	Very low	108 Å²	108	129 Å²	129	76%	0.755	72%	0.722	S	S	*	*			trans	-98.3	-165.8	157.1	-7.5	0	0	0	0	109.2
59	P	53.2	Low	30	Very low	125 Å²	125	132.2 Å²	132.2	81%	0.812	73%	0.729	S	S	*	*			cis	-133.8	162	-35.5	36.3	-20.6	0	0	0	113.9
60	A	23.7	Very low	29.1	Very low	92 Å²	92	130.7 Å²	130.7	76%	0.76	72%	0.721	S	S	*	*			trans	-172.8	142.6	154.8	0	0	0	0	0	108.5
61	S	26.5	Very low	28.9	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	73%	0.725	S	S	*	*			cis	96.1	78	20	83.5	0	0	0	0	117.1
62	T	23.9	Very low	28.2	Very low	137 Å²	137	134.3 Å²	134.3	84%	0.84	74%	0.735	S	S	*	*			trans	-167.3	126.9	148.3	24.8	0	0	0	0	106.7
63	F	23.6	Very low	28.1	Very low	178 Å²	178	135 Å²	135	78%	0.781	74%	0.739	S	S	*	*				97.8	110.8	61.7	-115.9	-92.8	0	0	0	113.3
64	E	30.1	Very low	27.8	Very low	127 Å²	127	133.9 Å²	133.9	59%	0.593	74%	0.744	S	S	*	*			trans	77.3	151.6	143.6	-105.6	-179.7	-136.5	0	0	124.2
65	R	26.9	Very low	27.7	Very low	176 Å²	176	133.3 Å²	133.3	66%	0.664	75%	0.745	S	S	*	*			trans	77.7	138.3	147.1	-77.7	-178	137.2	87.8	15.8	120.1
66	E	30.4	Very low	27.7	Very low	124 Å²	124	134.7 Å²	134.7	58%	0.579	75%	0.746	S	S	*	*			cis	-164.5	-176.4	-15.3	-143.2	165.7	-162.2	0	0	110.8
67	N	29.3	Very low	27.7	Very low	129 Å²	129	136.3 Å²	136.3	69%	0.69	75%	0.753	S	S	*	*			trans	75.8	138.4	153	-69.4	5.2	0	0	0	119.4
68	D	26	Very low	28.7	Very low	108 Å²	108	132 Å²	132	58%	0.578	75%	0.746	S	S	*	*			cis	-162	158.6	-19.3	-152.7	-25.9	0	0	0	109	S70	D68-S70 PolarHBondContact OD1-OG 2.95Å
69	F	25.6	Very low	28.8	Very low	213 Å²	213	133.9 Å²	133.9	93%	0.934	75%	0.748	S	S	*	*			trans	-162.3	111.5	146.1	-116.7	-70	0	0	0	110.1
70	S	27.4	Very low	27.4	Very low	90 Å²	90	134.1 Å²	134.1	63%	0.629	74%	0.742	S	S	*	*			trans	-90.6	151.6	-171.9	-29.1	0	0	0	0	112.9	D68	D68-S70 PolarHBondContact OD1-OG 2.95Å
71	E	27.8	Very low	27.6	Very low	180 Å²	180	135.3 Å²	135.3	84%	0.841	74%	0.74	S	S	*	*			trans	-72.6	164	166.4	-61.4	-176.7	124.4	0	0	111.8
72	T	27.7	Very low	27.5	Very low	146 Å²	146	135 Å²	135	90%	0.896	74%	0.737	S	S	*	*			trans	-146	146.4	156.2	-48.6	0	0	0	0	110
73	T	26.6	Very low	27.7	Very low	118 Å²	118	135.3 Å²	135.3	72%	0.724	74%	0.739	S	S	*	*			trans	-115.4	152.6	-151.8	-33.8	0	0	0	0	113.7
74	T	23.7	Very low	28	Very low	135 Å²	135	135.4 Å²	135.4	83%	0.828	74%	0.742	S	S	*	*			trans	-175.6	159.3	151.8	18.3	0	0	0	0	109.5
75	S	24.4	Very low	27.8	Very low	93 Å²	93	136.1 Å²	136.1	65%	0.65	76%	0.755	S	S	*	*				-169.2	120.4	-67.9	49.1	0	0	0	0	110.6
76	L	27.6	Very low	27.8	Very low	161 Å²	161	132.9 Å²	132.9	84%	0.843	76%	0.759	S	S	*	*			trans	50.3	107.9	151.8	-66	162.3	0	0	0	120.9
77	S	26.2	Very low	28.6	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	77%	0.765	S	S	*	*				49.2	164.9	111.7	-52.7	0	0	0	0	122.7
78	P	48.3	Very low	28.4	Very low	117 Å²	117	133 Å²	133	76%	0.76	77%	0.77	S	S	*	*			cis	-127.8	179.5	-20.6	39.3	-24.7	0	0	0	113.4
79	D	24.9	Very low	28.5	Very low	148 Å²	148	132.4 Å²	132.4	79%	0.791	77%	0.774	S	S	*	*			trans	-161.4	175.1	133.3	-131.8	-36.6	0	0	0	115.2
80	N	25.7	Very low	28.6	Very low	129 Å²	129	129.4 Å²	129.4	69%	0.69	77%	0.767	S	S	*	*			trans	-66.3	133.9	-153.9	-89.2	-81	0	0	0	121.3
81	T	26.2	Very low	28.6	Very low	118 Å²	118	130.9 Å²	130.9	72%	0.724	77%	0.768	S	S	*	*				58.7	136.6	110	-42.9	0	0	0	0	122.5
82	S	26.2	Very low	28.6	Very low	99 Å²	99	129.6 Å²	129.6	69%	0.692	77%	0.767	S	S	*	*			trans	-57.5	160.6	-179.4	59.1	0	0	0	0	118.8
83	T	26.7	Very low	28.6	Very low	144 Å²	144	126.8 Å²	126.8	88%	0.883	76%	0.758	S	S	*	*				-151.5	136.1	121.8	-8.9	0	0	0	0	112.5
84	Q	30	Very low	28.8	Very low	181 Å²	181	126.9 Å²	126.9	85%	0.846	76%	0.764	S	S	*	*			trans	-85.9	153.4	154.6	-66.2	176.3	-61.7	0	0	108.4
85	V	25.8	Very low	29	Very low	141 Å²	141	124.2 Å²	124.2	86%	0.855	76%	0.755	S	S	*	*				-173.8	136.1	128.1	147.2	0	0	0	0	108.8
86	S	28.4	Very low	29	Very low	108 Å²	108	128.6 Å²	128.6	76%	0.755	76%	0.763	S	S	*	*			trans	-127	167.8	164.1	-44	0	0	0	0	105.5
87	P	46.3	Very low	29	Very low	109 Å²	109	127.1 Å²	127.1	71%	0.708	76%	0.756	S	S	*	*			cis	-148.6	-142	45.8	41.5	-17.2	0	0	0	113.9
88	D	26.1	Very low	29.1	Very low	147 Å²	147	127.7 Å²	127.7	79%	0.786	76%	0.755	S	S	*	*			trans	78.7	130.7	171.3	-59.2	-21.7	0	0	0	117.5
89	S	27.6	Very low	28.2	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	76%	0.764	S	S	*	*			cis	-160.9	154.6	-7.9	47	0	0	0	0	114.1
90	L	27.5	Very low	28.3	Very low	149 Å²	149	125.3 Å²	125.3	78%	0.78	76%	0.757	S	S	*	*			trans	55.2	125.1	153.8	-87.2	78.3	0	0	0	122.4
91	D	27.8	Very low	28.4	Very low	121 Å²	121	126.1 Å²	126.1	65%	0.647	77%	0.766	S	S	*	*				100.4	105.7	123.6	-81.6	31.6	0	0	0	124.5
92	N	27.1	Very low	28.3	Very low	154 Å²	154	125 Å²	125	82%	0.824	76%	0.763	S	S	*	*				82.7	138.3	125.5	-82.8	-49.3	0	0	0	121.3
93	A	27.6	Very low	28.5	Very low	86 Å²	86	124.9 Å²	124.9	71%	0.711	76%	0.762	S	S	*	*			trans	-113.3	180	-171	0	0	0	0	0	112
94	S	30.3	Very low	28.7	Very low	121 Å²	121	124 Å²	124	85%	0.846	76%	0.756	S	S	*	*			trans	74.1	157.9	167.3	82.4	0	0	0	0	117.3
95	A	27.7	Very low	28.6	Very low	78 Å²	78	123.5 Å²	123.5	65%	0.645	75%	0.754	S	S	*	*			cis	-168.6	162.1	-34	0	0	0	0	0	110.5
96	F	25.7	Very low	28.7	Very low	186 Å²	186	122.7 Å²	122.7	82%	0.816	75%	0.749	S	S	*	*			trans	67.2	134.8	157.7	-80.8	-70.2	0	0	0	122.7
97	N	26.1	Very low	29.8	Very low	130 Å²	130	122 Å²	122	70%	0.695	74%	0.742	S	S	*	*			trans	64.7	106.5	139.9	-72.2	-4.6	0	0	0	124.7
98	T	29.8	Very low	28.9	Very low	119 Å²	119	125.1 Å²	125.1	73%	0.73	75%	0.747	S	S	*	*				50.2	114.9	116.8	-9.1	0	0	0	0	122.5
99	T	28.1	Very low	28.9	Very low	153 Å²	153	125.7 Å²	125.7	94%	0.939	75%	0.749	S	S	*	*				171.2	151.7	128	27.6	0	0	0	0	109.5
100	G	27.9	Very low	29.8	Very low	63 Å²	63	125.9 Å²	125.9	65%	0.649	75%	0.748	S	S	*	*			cis	165.4	159.9	-11.2	0	0	0	0	0	112.4
101	V	27.9	Very low	29.9	Very low	146 Å²	146	123.5 Å²	123.5	89%	0.885	74%	0.74	S	S	*	*			trans	73	144.9	163	-175.8	0	0	0	0	115.2
102	S	24.5	Very low	30	Very low	95 Å²	95	126.5 Å²	126.5	66%	0.664	75%	0.75	S	S	*	*			cis	-145.8	132.5	21.6	-133.2	0	0	0	0	112.3
103	S	29.8	Very low	30.1	Very low	96 Å²	96	122.8 Å²	122.8	67%	0.671	74%	0.74	S	S	*	*				60.7	121.7	98.7	78.6	0	0	0	0	117.3
104	V	31.4	Very low	30.1	Very low	125 Å²	125	125.3 Å²	125.3	76%	0.758	74%	0.742	S	S	*	*				170.6	150.8	90.7	151.3	0	0	0	0	106.8
105	Q	27.5	Very low	29.9	Very low	171 Å²	171	124.2 Å²	124.2	80%	0.799	74%	0.735	S	S	*	*			cis	-150.4	-166.8	7.4	-141.2	167.2	-30.9	0	0	112.2
106	T	27.9	Very low	29.9	Very low	123 Å²	123	129.5 Å²	129.5	76%	0.755	75%	0.746	S	S	*	*			trans	-148	-167.8	167	48.7	0	0	0	0	107.7
107	P	51.3	Low	30.3	Very low	94 Å²	94	127.1 Å²	127.1	61%	0.61	75%	0.747	S	S	*	*			cis	-142.9	-176.1	4.3	44	-23.8	0	0	0	117.4
108	H	26.8	Very low	30.8	Very low	175 Å²	175	126.4 Å²	126.4	81%	0.81	75%	0.749	S	S	*	*				176.4	155.9	119.4	-97.9	-72.7	0	0	0	114.9
109	L	27.3	Very low	30.7	Very low	158 Å²	158	126.4 Å²	126.4	83%	0.827	75%	0.754	S	S	*	*			trans	-148.6	-176.4	171.6	-126.8	89.1	0	0	0	106.8
110	P	46.7	Very low	30.7	Very low	101 Å²	101	124.3 Å²	124.3	66%	0.656	75%	0.752	S	S	*	*			cis	-126.9	-145.8	9.5	27.4	0.9	0	0	0	111.9
111	T	28.5	Very low	30.6	Very low	99 Å²	99	124.8 Å²	124.8	61%	0.607	76%	0.757	S	S	*	*			cis	-167.4	159.5	9.4	-17.5	0	0	0	0	111.5
112	H	30.9	Very low	30.7	Very low	183 Å²	183	124.4 Å²	124.4	85%	0.847	76%	0.755	S	S	*	*			trans	63.2	155.9	156.4	-69.3	-56.8	0	0	0	119.6
113	A	28.9	Very low	30.8	Very low	76 Å²	76	127.3 Å²	127.3	63%	0.628	76%	0.763	S	S	*	*			cis	-166	170.7	-20.6	0	0	0	0	0	111.4
114	D	27	Very low	30.8	Very low	140 Å²	140	127.7 Å²	127.7	75%	0.749	76%	0.762	S	S	*	*			trans	66.2	108.4	150.5	-84.1	-64.5	0	0	0	124.8
115	S	26.3	Very low	30.7	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	76%	0.762	S	S	*	*				77.3	148.4	111.7	-67.2	0	0	0	0	124.8
116	Q	27.6	Very low	30.6	Very low	189 Å²	189	127.4 Å²	127.4	88%	0.883	76%	0.761	S	S	*	*			trans	80.9	119.9	159.9	-68.9	176.7	15	0	0	122.2
117	T	33.2	Very low	30.6	Very low	135 Å²	135	130.4 Å²	130.4	83%	0.828	76%	0.764	S	S	*	*			trans	-93.4	150.9	144.8	42.2	0	0	0	0	109.9
118	P	36.6	Very low	29.6	Very low	116 Å²	116	131.7 Å²	131.7	75%	0.753	78%	0.775	S	S	*	*				-135.9	164.3	99.5	26	-6.9	0	0	0	112.5
119	S	27.7	Very low	29.7	Very low	118 Å²	118	126.7 Å²	126.7	83%	0.825	77%	0.771	S	S	*	*			cis	87	138.9	34.4	-115.2	0	0	0	0	116
120	A	28.9	Very low	29.9	Very low	110 Å²	110	125.4 Å²	125.4	91%	0.909	78%	0.775	S	S	*	*			trans	66.4	150.5	-172.1	0	0	0	0	0	116.2
121	G	26.8	Very low	29.1	Very low	73 Å²	73	125.3 Å²	125.3	75%	0.753	78%	0.783	S	S	*	*			cis	-162.1	150.2	-1.3	0	0	0	0	0	114.3
122	T	28.8	Very low	29.2	Very low	137 Å²	137	124.6 Å²	124.6	84%	0.84	79%	0.787	S	S	*	*			trans	-53.9	145.2	169.8	-38.6	0	0	0	0	112.8
123	D	27.4	Very low	29.1	Very low	156 Å²	156	123.9 Å²	123.9	83%	0.834	79%	0.789	S	S	*	*			trans	-153.2	167.9	136.8	-134.3	-35.3	0	0	0	113
124	T	29.5	Very low	29.1	Very low	104 Å²	104	124.7 Å²	124.7	64%	0.638	80%	0.796	S	S	*	*			trans	-109.3	146.6	-157.1	5.9	0	0	0	0	116
125	Q	28.9	Very low	29.1	Very low	164 Å²	164	128.2 Å²	128.2	77%	0.766	81%	0.805	S	S	*	*			trans	18.3	136.5	147.2	-61.5	174.5	0.2	0	0	120.4
126	T	26.3	Very low	29.2	Very low	126 Å²	126	131 Å²	131	77%	0.773	81%	0.811	S	S	*	*				-177.1	109.4	107.7	-74.1	0	0	0	0	114.2
127	F	28.1	Very low	29.4	Very low	187 Å²	187	129 Å²	129	82%	0.82	81%	0.807	S	S	*	*			trans	47.3	151.3	142.2	-84.8	-90.9	0	0	0	126.8
128	S	30.3	Very low	29.8	Very low	121 Å²	121	128.3 Å²	128.3	85%	0.846	80%	0.804	S	S	*	*			trans	84.8	136.7	157.1	76.1	0	0	0	0	118.5
129	G	28.9	Very low	29.5	Very low	70 Å²	70	129.5 Å²	129.5	72%	0.722	81%	0.81	S	S	*	*			cis	172.1	161.7	-9.9	0	0	0	0	0	114.3
130	S	30.7	Very low	30.6	Very low	130 Å²	130	130.1 Å²	130.1	91%	0.909	81%	0.811	S	S	*	*			trans	66.7	150.4	176	-68.9	0	0	0	0	117
131	A	30.6	Very low	30.5	Very low	99 Å²	99	128.7 Å²	128.7	82%	0.818	81%	0.806	S	S	*	*			cis	-158.5	162.7	-18.3	0	0	0	0	0	109.8
132	A	30	Very low	30.6	Very low	84 Å²	84	129.9 Å²	129.9	69%	0.694	80%	0.803	S	S	*	*			trans	-106	154.1	179.1	0	0	0	0	0	112.3
133	N	28.2	Very low	30.6	Very low	169 Å²	169	130.8 Å²	130.8	90%	0.904	80%	0.803	S	S	*	*				-178.8	166	106.6	-102.7	-41	0	0	0	114.4
134	A	28.7	Very low	30.7	Very low	93 Å²	93	126.9 Å²	126.9	77%	0.769	79%	0.792	S	S	*	*			trans	-92.1	172	-177.3	0	0	0	0	0	114.2
135	K	27.1	Very low	30.7	Very low	213 Å²	213	130 Å²	130	93%	0.926	80%	0.803	S	S	*	*			trans	-153.3	162.2	150.1	-129	178.2	-177.1	-178.6	0	113.4
136	L	30	Very low	30.8	Very low	158 Å²	158	126.6 Å²	126.6	83%	0.827	80%	0.798	S	S	*	*			trans	-118.5	170.3	-171.8	-95.3	158.9	0	0	0	112.8
137	N	30.2	Very low	31	Very low	147 Å²	147	127 Å²	127	79%	0.786	80%	0.795	S	S	*	*			trans	-34.9	153.2	-178.1	-58.8	-7.2	0	0	0	119.3
138	P	42.4	Very low	31.2	Very low	120 Å²	120	121.2 Å²	121.2	78%	0.779	78%	0.782	S	S	*	*			trans	-114.3	161.8	161.6	40	-30.1	0	0	0	114.3
139	T	29.3	Very low	31.3	Very low	141 Å²	141	125.2 Å²	125.2	87%	0.865	78%	0.78	S	S	*	*			trans	-161.9	168.9	156.6	0	0	0	0	0	107.9
140	P	51.7	Low	31.5	Very low	131 Å²	131	128.6 Å²	128.6	85%	0.851	78%	0.781	S	S	*	*				-117.5	167.2	-121.4	40.7	-29.1	0	0	0	116.1
141	G	27	Very low	31.4	Very low	79 Å²	79	128.9 Å²	128.9	81%	0.814	77%	0.772	S	S	*	*			trans	-171.2	125.5	173.2	0	0	0	0	0	114.3
142	S	28.7	Very low	31.4	Very low	98 Å²	98	128.4 Å²	128.4	69%	0.685	77%	0.768	S	S	*	*			trans	-68.2	167.1	-172.8	54.7	0	0	0	0	118.9
143	N	28.6	Very low	31.5	Very low	156 Å²	156	130.1 Å²	130.1	83%	0.834	78%	0.775	S	S	*	*			trans	79.7	149.5	156.5	-57.8	-19.8	0	0	0	118.3
144	A	28.9	Very low	31.6	Very low	74 Å²	74	130.3 Å²	130.3	61%	0.612	77%	0.77	S	S	*	*			cis	-173.8	146.6	-22.5	0	0	0	0	0	110.7
145	I	30.2	Very low	31.6	Very low	169 Å²	169	132.5 Å²	132.5	87%	0.867	77%	0.774	S	S	*	*			trans	65.6	140	153.3	-63.4	162.8	0	0	0	116
146	S	32	Very low	31.8	Very low	93 Å²	93	128.2 Å²	128.2	65%	0.65	77%	0.767	S	S	*	*			cis	-133.9	-155.3	-4.4	53.3	0	0	0	0	109.3
147	D	30.2	Very low	31.8	Very low	135 Å²	135	126.4 Å²	126.4	72%	0.722	76%	0.762	S	S	*	*			cis	-156.1	-173.5	7.9	-138.5	-64.2	0	0	0	112.5
148	A	31.9	Very low	31.8	Very low	66 Å²	66	126.5 Å²	126.5	55%	0.545	76%	0.762	S	S	.	*			trans	-85.8	170	-179	0	0	0	0	0	113.3
149	Y	32.5	Very low	31.5	Very low	205 Å²	205	125.7 Å²	125.7	80%	0.804	76%	0.759	S	S	*	*			cis	-160.5	178.7	46.8	-87.3	-77.8	0	0	0	110.9
150	L	33.3	Very low	32.2	Very low	140 Å²	140	124.7 Å²	124.7	73%	0.733	76%	0.755	S	S	*	*			cis	-153.6	-168.5	10.6	-136	-179.7	0	0	0	109.9
151	N	28.3	Very low	31.1	Very low	137 Å²	137	124.4 Å²	124.4	73%	0.733	76%	0.756	S	S	*	*			trans	69.1	101.7	169.9	-63.7	-2.1	0	0	0	116.4
152	A	31.1	Very low	31.3	Very low	89 Å²	89	124 Å²	124	74%	0.736	75%	0.752	S	S	*	*				89.1	127.1	60.3	0	0	0	0	0	112.4
153	S	30.7	Very low	31.4	Very low	119 Å²	119	125.3 Å²	125.3	83%	0.832	76%	0.761	S	S	*	*			cis	-147.6	175.7	7.7	-77.5	0	0	0	0	113.6
154	E	30.3	Very low	31.7	Very low	173 Å²	173	122.6 Å²	122.6	81%	0.808	76%	0.76	S	S	*	*			trans	-77.9	162.7	-174.7	-46.4	162.1	123.2	0	0	115
155	T	30	Very low	31.9	Very low	139 Å²	139	125.5 Å²	125.5	85%	0.853	77%	0.77	S	S	*	*				177.6	170.3	109	28.1	0	0	0	0	112.7
156	T	31.1	Very low	32.1	Very low	124 Å²	124	124.8 Å²	124.8	76%	0.761	77%	0.766	S	S	*	*			trans	-135.4	146.2	-161.4	-37	0	0	0	0	113.4
157	T	29.5	Very low	31.9	Very low	119 Å²	119	125.7 Å²	125.7	73%	0.73	77%	0.773	S	S	*	*			trans	74.3	137.9	154.1	26.6	0	0	0	0	123.3
158	L	29.8	Very low	32	Very low	150 Å²	150	125.3 Å²	125.3	79%	0.785	78%	0.775	S	S	*	*			trans	80.6	108.5	143.9	-70.5	162.2	0	0	0	122.2
159	S	37.3	Very low	32.3	Very low	103 Å²	103	129 Å²	129	72%	0.72	79%	0.792	S	S	*	*				50.3	136.2	127.7	-53.9	0	0	0	0	121.3
160	P	42.3	Very low	32.4	Very low	120 Å²	120	125.6 Å²	125.6	78%	0.779	79%	0.792	S	S	*	*				-156.2	155.3	82.8	40.5	-21	0	0	0	120.2
161	S	30.4	Very low	32.6	Very low	125 Å²	125	126.6 Å²	126.6	87%	0.874	80%	0.796	S	S	*	*			trans	39.7	130.2	133.3	-51.2	0	0	0	0	125.6
162	G	30.6	Very low	32.9	Very low	71 Å²	71	124.6 Å²	124.6	73%	0.732	80%	0.799	S	S	*	*			trans	111.7	149.5	135.8	0	0	0	0	0	117.3
163	S	31.2	Very low	33.4	Very low	124 Å²	124	126.5 Å²	126.5	87%	0.867	80%	0.802	S	S	*	*			cis	-161.7	142.3	-11	-83.2	0	0	0	0	110.8
164	A	33.3	Very low	34	Very low	99 Å²	99	126.5 Å²	126.5	82%	0.818	80%	0.797	S	S	*	*			trans	39.3	135.9	156.4	0	0	0	0	0	122.2
165	V	33.5	Very low	35.1	Very low	136 Å²	136	124.1 Å²	124.1	82%	0.824	80%	0.797	S	S	*	*				-163.8	130.5	113.4	140.5	0	0	0	0	112
166	I	34.1	Very low	36.6	Very low	153 Å²	153	122.7 Å²	122.7	79%	0.785	79%	0.792	S	S	*	*			trans	6.7	119.4	159	-50.4	176.6	0	0	0	118.5
167	S	28.4	Very low	38.4	Very low	113 Å²	113	122 Å²	122	79%	0.79	78%	0.779	S	S	*	*			trans	-72.4	131.3	166.8	-42.1	0	0	0	0	112.9
168	T	31.8	Very low	41	Very low	126 Å²	126	119.2 Å²	119.2	77%	0.773	76%	0.763	S	S	*	*			trans	-92.5	127.6	155.9	47.7	0	0	0	0	109.9	T170	T168-T170 PolarHBondContact O-N 3.33Å
169	T	37.9	Very low	43.8	Very low	145 Å²	145	113.7 Å²	113.7	89%	0.89	74%	0.735	S	S	*	*			trans	-75.3	92.6	179.8	48.9	0	0	0	0	112.2
170	T	34.7	Very low	46.2	Very low	132 Å²	132	108.9 Å²	108.9	81%	0.81	70%	0.701	S	S	*	*			trans	-87	139.9	154.7	36.6	0	0	0	0	110.2	T168 A172	T168-T170 PolarHBondContact O-N 3.33Å; T170-A172 PolarHBondContact O-N 3.43Å
171	I	38.1	Very low	48.5	Very low	161 Å²	161	106.2 Å²	106.2	83%	0.826	68%	0.681	S	S	*	*			trans	-59.3	132.3	-172.2	-66	160.5	0	0	0	110.7	T173	I171-T173 PolarHBondContact O-N 3.24Å
172	A	34.5	Very low	51.3	Low	95 Å²	95	106.1 Å²	106.1	79%	0.785	67%	0.666	S	S	*	*			trans	-70.7	94.4	175.4	0	0	0	0	0	110.6	T170 T174	T170-A172 PolarHBondContact O-N 3.43Å; A172-T174 PolarHBondContact O-N 3.16Å; A172-T174 VanDerWaalsContact O-N 3.17Å
173	T	41	Very low	54	Low	129 Å²	129	106.2 Å²	106.2	79%	0.791	65%	0.647	S	S	*	*			trans	-61.7	112.7	157.5	46.2	0	0	0	0	108	I171	I171-T173 PolarHBondContact O-N 3.24Å
174	T	43.5	Very low	56.9	Low	119 Å²	119	100.6 Å²	100.6	73%	0.73	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-51.5	136.1	166.6	45.4	0	0	0	0	108.9	A172 S176	A172-T174 PolarHBondContact O-N 3.16Å; A172-T174 VanDerWaalsContact O-N 3.17Å; T174-S176 PolarHBondContact O-N 2.82Å
175	P	53.3	Low	59.5	Low	124 Å²	124	98.2 Å²	98.2	81%	0.805	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-54	118.2	168.4	-20.7	31.7	0	0	0	107.7	K177	P175-K177 PolarHBondContact O-N 3.27Å; P175-K177 VanDerWaalsContact O-N 3.12Å
176	S	62.4	Low	62.1	Low	109 Å²	109	99 Å²	99	76%	0.762	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-58.7	120.1	171.7	47.6	0	0	0	0	106.9	T174	T174-S176 PolarHBondContact O-N 2.82Å
177	K	69.4	Low	64.8	Low	109 Å²	109	92.8 Å²	92.8	47%	0.474	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-51.8	132.3	169	-70.6	-179.3	179.4	-179.2	0	107.2	P175 N238 T241	P175-K177 PolarHBondContact O-N 3.27Å; P175-K177 VanDerWaalsContact O-N 3.12Å; K177-N238 PolarHBondContact NZ-O 2.77Å; K177-T241 HydrophobicContact CB-CG2 3.98Å; K177-T241 HydrophobicContact CD-CG2 4.16Å; K177-T241 PolarHBondContact O-OG1 3.3Å
178	P	84.3	Confident	67.7	Low	61 Å²	61	90.5 Å²	90.5	40%	0.396	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-62.1	156.7	173.6	28.5	-34.7	0	0	0	109.1	K183 C240 T241	P178-K183 HydrophobicContact CG-CB 4.41Å; P178-C240 VanDerWaalsContact O-CA 3.29Å; P178-C240 WeakPolarHBondContact O-CA 3.33Å; P178-C240 VanDerWaalsContact O-CB 3.24Å; P178-C240 WeakPolarHBondContact O-CB 3.37Å; P178-T241 PolarHBondContact O-N 2.04Å
179	T	88.1	Confident	70.5	Confident	33 Å²	33	85 Å²	85	20%	0.202	50%	0.502	C	S	.	.	B	Isolated β-bridge	trans	-63.5	152.5	172.6	65.3	0	0	0	0	109.9	D181 E182 K183 T241	T179-D181 PolarHBondContact O-N 2.8Å; T179-E182 WeakPolarHBondContact CB-OE2 3.38Å; T179-E182 WeakPolarHBondContact CG2-OE2 3.49Å; T179-E182 PolarHBondContact N-OE2 2.9Å; T179-E182 PolarHBondContact O-N 3.19Å; T179-E182 WeakPolarHBondContact OG1-CB 3.19Å; T179-E182 VanDerWaalsContact OG1-CD 3.24Å; T179-E182 WeakPolarHBondContact OG1-CG 3.42Å; T179-E182 PolarHBondContact OG1-N 2.9Å; T179-E182 VanDerWaalsContact OG1-N 3.14Å; T179-E182 PolarHBondContact OG1-OE2 3.11Å; T179-K183 WeakPolarHBondContact O-CB 3.08Å; T179-K183 PolarHBondContact O-N 3.44Å; T179-T241 CarbonylContact C-O 3.56Å; T179-T241 VanDerWaalsContact CA-O 3.23Å; T179-T241 WeakPolarHBondContact CA-O 3.24Å
180	C	87.6	Confident	73	Confident	2 Å²	2	81.4 Å²	81.4	1%	0.014	48%	0.477	C	S	.	.	H	α-helix	trans	-66.2	-32.1	177.3	-62.5	0	0	0	0	110.6	K183 Y184 C240 T241 P243	C180-K183 PolarHBondContact O-N 2.88Å; C180-Y184 HydrophobicContact CB-CD2 4.39Å; C180-Y184 WeakPolarHBondContact O-CB 3.38Å; C180-Y184 WeakPolarHBondContact O-CD2 3.16Å; C180-Y184 PolarHBondContact O-N 2.94Å; C180-C240 WeakPolarHBondContact CA-SG 3.29Å; C180-C240 HydrophobicContact CB-CB 3.92Å; C180-C240 WeakPolarHBondContact CB-SG 3.41Å; C180-C240 WeakPolarHBondContact SG-CB 3.3Å; C180-C240 CovalentContact SG-SG 2.04Å; C180-C240 PolarHBondContact SG-SG 2.65Å; C180-T241 PolarHBondContact N-O 2.76Å; C180-P243 WeakPolarHBondContact CB-O 3.44Å; C180-P243 PolarHBondContact N-O 3.27Å
181	D	90.1	Very high	75.8	Confident	64 Å²	64	76.4 Å²	76.4	34%	0.342	44%	0.444	S	S	.	.	H	α-helix	trans	-61	-46.3	171.5	-172.7	44.1	0	0	0	113.1	T179 Y184 A185 P243 K245	T179-D181 PolarHBondContact O-N 2.8Å; D181-Y184 CarbonylContact O-C 3.46Å; D181-A185 WeakPolarHBondContact O-CA 3.05Å; D181-A185 WeakPolarHBondContact O-CB 3.32Å; D181-A185 PolarHBondContact O-N 2.94Å; D181-P243 HydrophobicContact CB-CG 4.38Å; D181-P243 PolarHBondContact N-O 3.18Å; D181-P243 VanDerWaalsContact N-O 3.16Å; D181-K245 HydrophobicContact CB-CD 4.45Å; D181-K245 WeakPolarHBondContact OD1-CD 3.37Å; D181-K245 WeakPolarHBondContact OD1-CE 3.35Å; D181-K245 IonicContact OD1-NZ 3.11Å; D181-K245 PolarHBondContact OD1-NZ 2.7Å
182	E	88.5	Confident	78.3	Confident	124 Å²	124	72.8 Å²	72.8	58%	0.579	43%	0.425	S	S	*	.	H	α-helix	trans	-63.1	-47.4	173.5	-72.9	162.8	128.4	0	0	111.9	T179 Y184 A185	T179-E182 WeakPolarHBondContact CB-OE2 3.38Å; T179-E182 WeakPolarHBondContact CG2-OE2 3.49Å; T179-E182 PolarHBondContact N-OE2 2.9Å; T179-E182 PolarHBondContact O-N 3.19Å; T179-E182 WeakPolarHBondContact OG1-CB 3.19Å; T179-E182 VanDerWaalsContact OG1-CD 3.24Å; T179-E182 WeakPolarHBondContact OG1-CG 3.42Å; T179-E182 PolarHBondContact OG1-N 2.9Å; T179-E182 VanDerWaalsContact OG1-N 3.14Å; T179-E182 PolarHBondContact OG1-OE2 3.11Å; E182-Y184 VanDerWaalsContact C-N 3.31Å; E182-Y184 PolarHBondContact O-N 3.42Å; E182-A185 WeakPolarHBondContact O-CB 3.47Å; E182-A185 PolarHBondContact O-N 2.94Å
183	K	89.1	Confident	81.2	Confident	72 Å²	72	70.2 Å²	70.2	31%	0.313	40%	0.396	S	S	.	.	H	α-helix	trans	-63.3	-38.1	-175.2	-170	-169.1	168.6	-158.5	0	112	P178 T179 C180 E208 S239 C240	P178-K183 HydrophobicContact CG-CB 4.41Å; T179-K183 WeakPolarHBondContact O-CB 3.08Å; T179-K183 PolarHBondContact O-N 3.44Å; C180-K183 PolarHBondContact O-N 2.88Å; K183-E208 WeakPolarHBondContact CE-OE1 3.48Å; K183-E208 IonicContact NZ-OE1 2.6Å; K183-E208 PolarHBondContact NZ-OE1 2.79Å; K183-S239 PolarHBondContact NZ-OG 2.04Å; K183-C240 HydrophobicContact CB-CB 4.46Å; K183-C240 HydrophobicContact CD-CB 4.12Å
184	Y	91.6	Very high	83.6	Confident	7 Å²	7	67.2 Å²	67.2	3%	0.027	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	21.6	-179.4	-57.7	-60.9	0	0	0	112.5	C180 D181 E182 N186 I187 V206 E208 V210 I235 H237 K245	C180-Y184 HydrophobicContact CB-CD2 4.39Å; C180-Y184 WeakPolarHBondContact O-CB 3.38Å; C180-Y184 WeakPolarHBondContact O-CD2 3.16Å; C180-Y184 PolarHBondContact O-N 2.94Å; D181-Y184 CarbonylContact O-C 3.46Å; E182-Y184 VanDerWaalsContact C-N 3.31Å; E182-Y184 PolarHBondContact O-N 3.42Å; Y184-N186 PolarHBondContact O-N 3.34Å; Y184-I187 HydrophobicContact CD1-CD1 4.4Å; Y184-I187 WeakPolarHBondContact O-CB 3.45Å; Y184-I187 VanDerWaalsContact O-CG2 3.24Å; Y184-I187 WeakPolarHBondContact O-CG2 3.23Å; Y184-I187 PolarHBondContact O-N 2.97Å; Y184-V206 HydrophobicContact CD1-CG1 3.9Å; Y184-V206 HydrophobicContact CE1-CG1 3.79Å; Y184-E208 WeakPolarHBondContact CE1-OE1 3.42Å; Y184-E208 WeakPolarHBondContact OH-CG 3.48Å; Y184-E208 PolarHBondContact OH-OE1 2.83Å; Y184-V210 HydrophobicContact CE1-CG1 4.37Å; Y184-V210 HydrophobicContact CE2-CG1 4.44Å; Y184-I235 HydrophobicContact CD2-CG2 4.12Å; Y184-I235 HydrophobicContact CE2-CG2 4.27Å; Y184-H237 HydrophobicContact CE2-CB 4.19Å; Y184-H237 WeakPolarHBondContact OH-CB 3.48Å; Y184-K245 HydrophobicContact CD2-CB 4.47Å; Y184-K245 WeakPolarHBondContact O-CE 3.06Å
185	A	87.4	Confident	85.8	Confident	48 Å²	48	67.5 Å²	67.5	40%	0.397	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-41	-177.3	0	0	0	0	0	112.8	D181 E182	D181-A185 WeakPolarHBondContact O-CA 3.05Å; D181-A185 WeakPolarHBondContact O-CB 3.32Å; D181-A185 PolarHBondContact O-N 2.94Å; E182-A185 WeakPolarHBondContact O-CB 3.47Å; E182-A185 PolarHBondContact O-N 2.94Å
186	N	88.2	Confident	87.6	Confident	152 Å²	152	70.3 Å²	70.3	81%	0.813	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	25.4	-175.5	-58.5	-11.3	0	0	0	112.7	Y184 T188	Y184-N186 PolarHBondContact O-N 3.34Å; N186-T188 PolarHBondContact O-N 3.32Å
187	I	90.4	Very high	89.1	Confident	23 Å²	23	68.6 Å²	68.6	12%	0.118	35%	0.354	C	S	.	.			trans	-63.1	131.4	-179	-167.8	171.3	0	0	0	111.3	Y184 L204 V206 I235 L247	Y184-I187 HydrophobicContact CD1-CD1 4.4Å; Y184-I187 WeakPolarHBondContact O-CB 3.45Å; Y184-I187 VanDerWaalsContact O-CG2 3.24Å; Y184-I187 WeakPolarHBondContact O-CG2 3.23Å; Y184-I187 PolarHBondContact O-N 2.97Å; I187-L204 HydrophobicContact CD1-CB 4.19Å; I187-V206 HydrophobicContact CD1-CG1 3.63Å; I187-V206 HydrophobicContact CG1-CG1 3.98Å; I187-I235 HydrophobicContact CD1-CD1 3.91Å; I187-L247 HydrophobicContact CG2-CD1 3.94Å; I187-L247 HydrophobicContact CG2-CD2 3.89Å; I187-L247 HydrophobicContact CG2-CG 4.4Å
188	T	89.6	Confident	90.2	Very high	66 Å²	66	68.4 Å²	68.4	41%	0.405	35%	0.353	S	S	.	.			trans	-102	157.8	176.9	57.5	0	0	0	0	111.6	N186 N205	N186-T188 PolarHBondContact O-N 3.32Å; T188-N205 WeakPolarHBondContact O-CB 3.48Å; T188-N205 PolarHBondContact O-N 2.99Å; T188-N205 WeakPolarHBondContact OG1-CB 3.35Å
189	V	91.1	Very high	90.6	Very high	10 Å²	10	67.5 Å²	67.5	6%	0.061	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.3	-176.4	-178.2	0	0	0	0	109.8	Y191 A202 K203 L204 L247 L249 H328	V189-Y191 HydrophobicContact CG1-CD2 4.4Å; V189-Y191 HydrophobicContact CG1-CE1 4.24Å; V189-Y191 HydrophobicContact CG1-CE2 4.05Å; V189-A202 HydrophobicContact CG1-CB 3.64Å; V189-K203 VanDerWaalsContact CA-O 3.32Å; V189-K203 WeakPolarHBondContact CA-O 3.44Å; V189-L204 HydrophobicContact CG2-CD2 4.08Å; V189-L247 HydrophobicContact CG2-CD2 3.88Å; V189-L249 HydrophobicContact CG1-CD2 4.2Å; V189-L249 HydrophobicContact CG2-CD2 3.82Å; V189-H328 PolarHBondContact O-CE1 3.08Å; V189-H328 PolarHBondContact O-ND1 3.32Å
190	D	90.4	Very high	90.9	Very high	69 Å²	69	65.9 Å²	65.9	37%	0.369	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.2	166.7	-73.1	-46.5	0	0	0	110.3	K203 N205	D190-K203 PolarHBondContact N-O 3.41Å; D190-K203 PolarHBondContact O-N 2.86Å; D190-N205 PolarHBondContact OD2-ND2 3.09Å; D190-N205 PolarHBondContact OD2-OD1 3.18Å
191	Y	92.6	Very high	91.2	Very high	27 Å²	27	67 Å²	67	11%	0.106	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.7	-176.3	-75.1	-74.5	0	0	0	111.4	V189 F200 A202 L225 L249 D250 V251 P252	V189-Y191 HydrophobicContact CG1-CD2 4.4Å; V189-Y191 HydrophobicContact CG1-CE1 4.24Å; V189-Y191 HydrophobicContact CG1-CE2 4.05Å; Y191-F200 HydrophobicContact CD1-CB 4.42Å; Y191-F200 HydrophobicContact CD1-CD1 4.4Å; Y191-A202 HydrophobicContact CD1-CB 4.11Å; Y191-A202 HydrophobicContact CE1-CB 3.81Å; Y191-L225 HydrophobicContact CE1-CD1 4.49Å; Y191-L249 WeakPolarHBondContact OH-CA 3.45Å; Y191-D250 PolarHBondContact OH-N 3.01Å; Y191-D250 PolarHBondContact OH-O 2.83Å; Y191-D250 VanDerWaalsContact OH-O 3.13Å; Y191-V251 HydrophobicContact CD1-CG1 4.45Å; Y191-V251 HydrophobicContact CE1-CB 4.36Å; Y191-V251 HydrophobicContact CE1-CG1 4.26Å; Y191-V251 HydrophobicContact CE1-CG2 4.12Å; Y191-P252 HydrophobicContact CD1-CG 4.24Å; Y191-P252 HydrophobicContact CD2-CG 3.86Å; Y191-P252 HydrophobicContact CE2-CG 4.49Å; Y191-P252 HydrophobicContact CG-CG 3.72Å
192	L	91.9	Very high	91.3	Very high	85 Å²	85	63.9 Å²	63.9	45%	0.445	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	118	177.8	-58.6	94	0	0	0	109.7	F200 T201 K203	L192-F200 CarbonylContact O-C 3.6Å; L192-F200 WeakPolarHBondContact O-CA 3.43Å; L192-T201 PolarHBondContact N-O 2.89Å; L192-T201 PolarHBondContact O-N 2.84Å; L192-K203 HydrophobicContact CD1-CB 3.7Å
193	Y	93.8	Very high	91.6	Very high	41 Å²	41	62 Å²	62	16%	0.161	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.8	-179.5	-173.6	-106.1	0	0	0	112.1	K195 F200 V255 E256	Y193-K195 HydrophobicContact CD1-CG 3.99Å; Y193-K195 HydrophobicContact CE1-CG 4.03Å; Y193-F200 HydrophobicContact CD2-CD1 4.08Å; Y193-F200 AromaticContact CD2-CD2 3.86Å; Y193-F200 HydrophobicContact CD2-CD2 3.86Å; Y193-F200 AromaticContact CD2-CE1 3.79Å; Y193-F200 HydrophobicContact CD2-CE1 3.79Å; Y193-F200 AromaticContact CD2-CE2 3.54Å; Y193-F200 HydrophobicContact CD2-CE2 3.54Å; Y193-F200 HydrophobicContact CD2-CG 4.13Å; Y193-F200 AromaticContact CD2-CZ 3.5Å; Y193-F200 HydrophobicContact CD2-CZ 3.5Å; Y193-F200 HydrophobicContact CE2-CD2 4.42Å; Y193-F200 HydrophobicContact CE2-CE2 4.03Å; Y193-F200 HydrophobicContact CE2-CZ 4.31Å; Y193-F200 HydrophobicContact CG-CE1 4.14Å; Y193-F200 HydrophobicContact CG-CZ 4.16Å; Y193-V255 VanDerWaalsContact CB-CG2 3.47Å; Y193-V255 HydrophobicContact CD1-CB 3.7Å; Y193-V255 HydrophobicContact CD1-CG2 3.95Å; Y193-V255 HydrophobicContact CD2-CG2 4.39Å; Y193-V255 HydrophobicContact CE1-CB 4.19Å; Y193-V255 HydrophobicContact CG-CB 3.96Å; Y193-V255 HydrophobicContact CG-CG2 3.69Å; Y193-E256 HydrophobicContact CE1-CG 4.03Å
194	N	92.4	Very high	91.7	Very high	66 Å²	66	58.7 Å²	58.7	35%	0.353	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119	168.9	-177.2	-21.1	0	0	0	109.8	E196 T197 K198 L199	N194-E196 WeakPolarHBondContact OD1-CB 3.37Å; N194-E196 PolarHBondContact OD1-N 3.06Å; N194-T197 WeakPolarHBondContact CB-OG1 2.96Å; N194-T197 PolarHBondContact OD1-N 3.23Å; N194-K198 VanDerWaalsContact O-CA 3.26Å; N194-K198 WeakPolarHBondContact O-CA 3.24Å; N194-K198 PolarHBondContact O-N 3.44Å; N194-L199 PolarHBondContact N-O 3.27Å; N194-L199 PolarHBondContact O-N 3.27Å
195	K	90	Very high	91.6	Very high	125 Å²	125	61.2 Å²	61.2	54%	0.543	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-31.5	-178.7	-64.9	-176.6	164	-148	0	114.1	Y193 E256	Y193-K195 HydrophobicContact CD1-CG 3.99Å; Y193-K195 HydrophobicContact CE1-CG 4.03Å; K195-E256 VanDerWaalsContact CD-OE1 3.24Å; K195-E256 WeakPolarHBondContact CD-OE1 3.34Å; K195-E256 WeakPolarHBondContact CE-OE1 3.27Å; K195-E256 HydrophobicContact CG-CG 4.44Å; K195-E256 WeakPolarHBondContact CG-OE1 3.5Å; K195-E256 IonicContact NZ-OE1 3.2Å; K195-E256 PolarHBondContact NZ-OE1 3.01Å
196	E	91.8	Very high	91.7	Very high	184 Å²	184	60.1 Å²	60.1	86%	0.86	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-40	-178.1	-60.3	-177	164.8	0	0	111.3	N194	N194-E196 WeakPolarHBondContact OD1-CB 3.37Å; N194-E196 PolarHBondContact OD1-N 3.06Å
197	T	93.3	Very high	91.6	Very high	73 Å²	73	61 Å²	61	45%	0.448	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-16.2	179.3	62	0	0	0	0	113.6	N194 L199	N194-T197 WeakPolarHBondContact CB-OG1 2.96Å; N194-T197 PolarHBondContact OD1-N 3.23Å; T197-L199 PolarHBondContact O-N 2.9Å; T197-L199 PolarHBondContact OG1-N 2.86Å
198	K	91.8	Very high	91.5	Very high	104 Å²	104	62.3 Å²	62.3	45%	0.452	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	29.8	-169.1	-59.2	-163.3	170.5	-163.4	0	114.1	N194	N194-K198 VanDerWaalsContact O-CA 3.26Å; N194-K198 WeakPolarHBondContact O-CA 3.24Å; N194-K198 PolarHBondContact O-N 3.44Å
199	L	94	Very high	91.4	Very high	42 Å²	42	64 Å²	64	22%	0.22	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	153.1	178.9	-61.6	173.5	0	0	0	111.4	N194 T197 N224 L225	N194-L199 PolarHBondContact N-O 3.27Å; N194-L199 PolarHBondContact O-N 3.27Å; T197-L199 PolarHBondContact O-N 2.9Å; T197-L199 PolarHBondContact OG1-N 2.86Å; L199-N224 HydrophobicContact CD1-CB 3.98Å; L199-L225 WeakPolarHBondContact CA-O 3.46Å
200	F	94.5	Very high	91.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	151.5	172.8	-77.4	-84.1	0	0	0	112	Y191 L192 Y193 N224 L225 E227 V251 P252 P253 V255	Y191-F200 HydrophobicContact CD1-CB 4.42Å; Y191-F200 HydrophobicContact CD1-CD1 4.4Å; L192-F200 CarbonylContact O-C 3.6Å; L192-F200 WeakPolarHBondContact O-CA 3.43Å; Y193-F200 HydrophobicContact CD2-CD1 4.08Å; Y193-F200 AromaticContact CD2-CD2 3.86Å; Y193-F200 HydrophobicContact CD2-CD2 3.86Å; Y193-F200 AromaticContact CD2-CE1 3.79Å; Y193-F200 HydrophobicContact CD2-CE1 3.79Å; Y193-F200 AromaticContact CD2-CE2 3.54Å; Y193-F200 HydrophobicContact CD2-CE2 3.54Å; Y193-F200 HydrophobicContact CD2-CG 4.13Å; Y193-F200 AromaticContact CD2-CZ 3.5Å; Y193-F200 HydrophobicContact CD2-CZ 3.5Å; Y193-F200 HydrophobicContact CE2-CD2 4.42Å; Y193-F200 HydrophobicContact CE2-CE2 4.03Å; Y193-F200 HydrophobicContact CE2-CZ 4.31Å; Y193-F200 HydrophobicContact CG-CE1 4.14Å; Y193-F200 HydrophobicContact CG-CZ 4.16Å; F200-N224 PolarHBondContact O-N 2.92Å; F200-L225 HydrophobicContact CB-CB 4.13Å; F200-L225 PolarHBondContact N-O 2.82Å; F200-L225 WeakPolarHBondContact O-CB 3.32Å; F200-L225 PolarHBondContact O-N 2.76Å; F200-E227 HydrophobicContact CD2-CB 4.43Å; F200-E227 HydrophobicContact CE2-CB 4.12Å; F200-V251 HydrophobicContact CB-CG1 3.87Å; F200-V251 HydrophobicContact CD2-CG1 3.5Å; F200-V251 HydrophobicContact CE2-CG1 4.25Å; F200-V251 HydrophobicContact CG-CG1 3.85Å; F200-P252 HydrophobicContact CD1-CG 4.34Å; F200-P252 HydrophobicContact CE1-CG 3.8Å; F200-P252 HydrophobicContact CE2-CG 4.24Å; F200-P252 WeakPolarHBondContact CE2-O 3.48Å; F200-P252 HydrophobicContact CZ-CB 4.28Å; F200-P252 HydrophobicContact CZ-CG 3.75Å; F200-P253 WeakPolarHBondContact CZ-O 3.47Å; F200-V255 HydrophobicContact CE1-CG2 4.41Å; F200-V255 HydrophobicContact CZ-CG2 4.33Å
201	T	93.4	Very high	91.1	Very high	24 Å²	24	67 Å²	67	15%	0.147	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.1	156	-65.5	0	0	0	0	108.1	L192 E221 V222 H223	L192-T201 PolarHBondContact N-O 2.89Å; L192-T201 PolarHBondContact O-N 2.84Å; T201-E221 HydrophobicContact CG2-CB 3.67Å; T201-E221 HydrophobicContact CG2-CG 3.93Å; T201-V222 CarbonylContact C-O 3.56Å; T201-V222 WeakPolarHBondContact CA-O 3.08Å; T201-H223 VanDerWaalsContact CG2-ND1 3.27Å; T201-H223 WeakPolarHBondContact CG2-ND1 3.19Å; T201-H223 PolarHBondContact OG1-ND1 2.98Å
202	A	92.6	Very high	90.6	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	112.9	170.7	0	0	0	0	0	109	V189 Y191 V222 L225 L249	V189-A202 HydrophobicContact CG1-CB 3.64Å; Y191-A202 HydrophobicContact CD1-CB 4.11Å; Y191-A202 HydrophobicContact CE1-CB 3.81Å; A202-V222 HydrophobicContact CB-CB 4.38Å; A202-V222 PolarHBondContact N-O 2.93Å; A202-V222 PolarHBondContact O-N 2.79Å; A202-L225 HydrophobicContact CB-CD1 3.38Å; A202-L249 HydrophobicContact CB-CD1 3.95Å; A202-L249 HydrophobicContact CB-CD2 4.21Å
203	K	92.9	Very high	90.1	Very high	85 Å²	85	65 Å²	65	37%	0.37	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.9	173.4	-178.1	-176.8	174.5	-168.9	0	109.5	V189 D190 L192 E221	V189-K203 VanDerWaalsContact CA-O 3.32Å; V189-K203 WeakPolarHBondContact CA-O 3.44Å; D190-K203 PolarHBondContact N-O 3.41Å; D190-K203 PolarHBondContact O-N 2.86Å; L192-K203 HydrophobicContact CD1-CB 3.7Å; K203-E221 HydrophobicContact CB-CG 4Å; K203-E221 HydrophobicContact CG-CG 4Å
204	L	91.7	Very high	89	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.005	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	122.6	176.2	-53	176.2	0	0	0	109.2	I187 V189 V206 V210 N220 I235 L247 L249	I187-L204 HydrophobicContact CD1-CB 4.19Å; V189-L204 HydrophobicContact CG2-CD2 4.08Å; L204-V206 VanDerWaalsContact C-N 3.29Å; L204-V206 HydrophobicContact CB-CG2 4.26Å; L204-V206 PolarHBondContact O-N 2.91Å; L204-V210 HydrophobicContact CD1-CG2 3.97Å; L204-N220 HydrophobicContact CB-CB 4.26Å; L204-N220 WeakPolarHBondContact CB-O 3.49Å; L204-N220 WeakPolarHBondContact CG-O 3.47Å; L204-N220 PolarHBondContact N-O 2.76Å; L204-I235 HydrophobicContact CD1-CD1 3.84Å; L204-I235 HydrophobicContact CD1-CG1 4.28Å; L204-I235 HydrophobicContact CD2-CD1 4.27Å; L204-L247 HydrophobicContact CD2-CD2 3.67Å; L204-L249 HydrophobicContact CD2-CD2 4.45Å
205	N	90.3	Very high	88.1	Confident	61 Å²	61	71.2 Å²	71.2	33%	0.326	37%	0.372	S	S	.	.			trans	-84.2	71.3	-175.2	-75.2	-26.4	0	0	0	112.2	T188 D190	T188-N205 WeakPolarHBondContact O-CB 3.48Å; T188-N205 PolarHBondContact O-N 2.99Å; T188-N205 WeakPolarHBondContact OG1-CB 3.35Å; D190-N205 PolarHBondContact OD2-ND2 3.09Å; D190-N205 PolarHBondContact OD2-OD1 3.18Å
206	V	89.9	Confident	87.6	Confident	25 Å²	25	70.9 Å²	70.9	15%	0.152	38%	0.381	C	S	.	.			trans	-131	153.8	175.1	-71.3	0	0	0	0	110.3	Y184 I187 L204 V210 N220	Y184-V206 HydrophobicContact CD1-CG1 3.9Å; Y184-V206 HydrophobicContact CE1-CG1 3.79Å; I187-V206 HydrophobicContact CD1-CG1 3.63Å; I187-V206 HydrophobicContact CG1-CG1 3.98Å; L204-V206 VanDerWaalsContact C-N 3.29Å; L204-V206 HydrophobicContact CB-CG2 4.26Å; L204-V206 PolarHBondContact O-N 2.91Å; V206-V210 HydrophobicContact CG2-CG1 3.87Å; V206-V210 HydrophobicContact CG2-CG2 4.24Å; V206-N220 HydrophobicContact CG2-CB 4.46Å; V206-N220 PolarHBondContact O-ND2 2.86Å
207	N	86.1	Confident	87.2	Confident	170 Å²	170	62.5 Å²	62.5	91%	0.909	34%	0.342	S	S	*	.	S	Bend	trans	-92.6	-32.6	-172.8	-64.4	-67.9	0	0	0	112.3
208	E	87.2	Confident	86.6	Confident	51 Å²	51	63 Å²	63	24%	0.238	35%	0.345	C	S	.	.	S	Bend	trans	-74.3	149.4	169.8	60.8	-90.5	-124.9	0	0	111.2	K183 Y184 V210 N220	K183-E208 WeakPolarHBondContact CE-OE1 3.48Å; K183-E208 IonicContact NZ-OE1 2.6Å; K183-E208 PolarHBondContact NZ-OE1 2.79Å; Y184-E208 WeakPolarHBondContact CE1-OE1 3.42Å; Y184-E208 WeakPolarHBondContact OH-CG 3.48Å; Y184-E208 PolarHBondContact OH-OE1 2.83Å; E208-V210 HydrophobicContact CG-CG1 3.9Å; E208-V210 PolarHBondContact O-N 2.85Å; E208-N220 PolarHBondContact O-ND2 2.97Å; E208-N220 PolarHBondContact O-OD1 2.85Å
209	N	86.9	Confident	86.3	Confident	102 Å²	102	63.6 Å²	63.6	55%	0.545	35%	0.353	S	S	.	.			trans	-81.7	105.1	172.8	-176.5	75.9	0	0	0	108.9	N220	N209-N220 WeakPolarHBondContact CA-OD1 3.48Å
210	V	88.5	Confident	86.2	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.024	35%	0.347	C	S	.	.			trans	-82.9	156.5	-175.2	-64	0	0	0	0	112.5	Y184 L204 V206 E208 N220 I235 H237	Y184-V210 HydrophobicContact CE1-CG1 4.37Å; Y184-V210 HydrophobicContact CE2-CG1 4.44Å; L204-V210 HydrophobicContact CD1-CG2 3.97Å; V206-V210 HydrophobicContact CG2-CG1 3.87Å; V206-V210 HydrophobicContact CG2-CG2 4.24Å; E208-V210 HydrophobicContact CG-CG1 3.9Å; E208-V210 PolarHBondContact O-N 2.85Å; V210-N220 WeakPolarHBondContact CG2-OD1 3.29Å; V210-N220 PolarHBondContact N-OD1 2.03Å; V210-I235 HydrophobicContact CB-CG2 3.8Å; V210-I235 HydrophobicContact CG1-CG2 4.07Å; V210-I235 HydrophobicContact CG2-CG2 3.82Å; V210-H237 HydrophobicContact CG1-CB 4.45Å
211	E	86.7	Confident	86	Confident	138 Å²	138	64.4 Å²	64.4	65%	0.645	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	140.7	171.1	-71	179.3	-163.2	0	0	109.5	I235 S236	E211-I235 WeakPolarHBondContact O-CA 3.38Å; E211-S236 PolarHBondContact N-O 2.98Å; E211-S236 PolarHBondContact O-N 3.36Å
212	C	83.9	Confident	86	Confident	14 Å²	14	63.8 Å²	63.8	10%	0.095	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	114.2	-179.8	-58.9	0	0	0	0	110.2	N215 C217 V233 S234	C212-N215 WeakPolarHBondContact CB-O 3.49Å; C212-C217 HydrophobicContact CB-CB 3.65Å; C212-C217 WeakPolarHBondContact CB-SG 3.33Å; C212-C217 WeakPolarHBondContact SG-CB 3.26Å; C212-C217 CovalentContact SG-SG 2.03Å; C212-C217 PolarHBondContact SG-SG 3.5Å; C212-V233 HydrophobicContact CB-CG2 3.61Å; C212-S234 CarbonylContact C-O 3.59Å; C212-S234 VanDerWaalsContact CA-O 3.26Å; C212-S234 WeakPolarHBondContact CA-O 3.31Å
213	G	79.8	Confident	85.9	Confident	55 Å²	55	67.5 Å²	67.5	57%	0.567	37%	0.37	S	S	*	.	S	Bend	trans	-48.5	-74.9	-158.3	0	0	0	0	0	116.5	S234	G213-S234 PolarHBondContact N-O 2.83Å
214	N	72.4	Confident	85.8	Confident	165 Å²	165	69.1 Å²	69.1	88%	0.882	38%	0.383	S	S	*	.	S	Bend	trans	-91.8	-10.6	-178.3	-72.4	-4.1	0	0	0	113.9
215	N	73	Confident	85.8	Confident	73 Å²	73	69.9 Å²	69.9	39%	0.39	39%	0.387	S	S	.	.	S	Bend	trans	-123.2	108.5	-171.2	-68.2	-26.6	0	0	0	109.2	C212 C217 S232	C212-N215 WeakPolarHBondContact CB-O 3.49Å; N215-C217 PolarHBondContact O-N 3.16Å; N215-C217 VanDerWaalsContact O-N 3.16Å; N215-S232 PolarHBondContact ND2-O 2.88Å
216	T	79.5	Confident	86	Confident	117 Å²	117	69.8 Å²	69.8	72%	0.718	39%	0.388	S	S	*	.			trans	-60.2	117.6	-176.8	-35	0	0	0	0	111.7	T218	T216-T218 HydrophobicContact CG2-CG2 4.09Å
217	C	82.6	Confident	86.2	Confident	8 Å²	8	70.6 Å²	70.6	5%	0.054	39%	0.391	C	S	.	.			trans	-111.6	55.8	178.9	68.8	0	0	0	0	112.1	C212 N215 N219 N220 E221 V222	C212-C217 HydrophobicContact CB-CB 3.65Å; C212-C217 WeakPolarHBondContact CB-SG 3.33Å; C212-C217 WeakPolarHBondContact SG-CB 3.26Å; C212-C217 CovalentContact SG-SG 2.03Å; C212-C217 PolarHBondContact SG-SG 3.5Å; N215-C217 PolarHBondContact O-N 3.16Å; N215-C217 VanDerWaalsContact O-N 3.16Å; C217-N219 PolarHBondContact O-N 2.64Å; C217-N220 PolarHBondContact O-N 3.07Å; C217-E221 CarbonylContact C-O 3.55Å; C217-E221 VanDerWaalsContact CA-O 3.31Å; C217-E221 WeakPolarHBondContact CA-O 3.31Å; C217-V222 HydrophobicContact CB-CG2 3.74Å
218	T	81.4	Confident	86.5	Confident	83 Å²	83	63.3 Å²	63.3	51%	0.509	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-50.9	128.6	-178.8	34.1	0	0	0	0	111.8	T216 N220 E221	T216-T218 HydrophobicContact CG2-CG2 4.09Å; T218-N220 PolarHBondContact O-N 3.3Å; T218-E221 PolarHBondContact O-N 3.42Å; T218-E221 VanDerWaalsContact O-N 3.07Å
219	N	85.4	Confident	86.8	Confident	117 Å²	117	67 Å²	67	63%	0.626	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	55.8	38.1	-179	-168.2	71.2	0	0	0	113.1	C217 E221	C217-N219 PolarHBondContact O-N 2.64Å; N219-E221 PolarHBondContact O-N 2.99Å
220	N	90.9	Very high	87.1	Confident	14 Å²	14	67.5 Å²	67.5	8%	0.075	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	61.7	18.6	-176.2	-58.4	-22.1	0	0	0	114.6	L204 V206 E208 N209 V210 C217 T218	L204-N220 HydrophobicContact CB-CB 4.26Å; L204-N220 WeakPolarHBondContact CB-O 3.49Å; L204-N220 WeakPolarHBondContact CG-O 3.47Å; L204-N220 PolarHBondContact N-O 2.76Å; V206-N220 HydrophobicContact CG2-CB 4.46Å; V206-N220 PolarHBondContact O-ND2 2.86Å; E208-N220 PolarHBondContact O-ND2 2.97Å; E208-N220 PolarHBondContact O-OD1 2.85Å; N209-N220 WeakPolarHBondContact CA-OD1 3.48Å; V210-N220 WeakPolarHBondContact CG2-OD1 3.29Å; V210-N220 PolarHBondContact N-OD1 2.03Å; C217-N220 PolarHBondContact O-N 3.07Å; T218-N220 PolarHBondContact O-N 3.3Å
221	E	91.6	Very high	87.2	Confident	46 Å²	46	68.6 Å²	68.6	22%	0.215	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.2	-177.2	-76.8	178.2	-149.9	0	0	111.9	T201 K203 C217 T218 N219 H223	T201-E221 HydrophobicContact CG2-CB 3.67Å; T201-E221 HydrophobicContact CG2-CG 3.93Å; K203-E221 HydrophobicContact CB-CG 4Å; K203-E221 HydrophobicContact CG-CG 4Å; C217-E221 CarbonylContact C-O 3.55Å; C217-E221 VanDerWaalsContact CA-O 3.31Å; C217-E221 WeakPolarHBondContact CA-O 3.31Å; T218-E221 PolarHBondContact O-N 3.42Å; T218-E221 VanDerWaalsContact O-N 3.07Å; N219-E221 PolarHBondContact O-N 2.99Å; E221-H223 IonicContact OE2-CE1 3.13Å; E221-H223 PolarHBondContact OE2-CE1 3.18Å
222	V	91.7	Very high	87.4	Confident	10 Å²	10	65.5 Å²	65.5	6%	0.061	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	103.3	174.3	-175.1	0	0	0	0	108.5	T201 A202 C217 L225 V233 L249	T201-V222 CarbonylContact C-O 3.56Å; T201-V222 WeakPolarHBondContact CA-O 3.08Å; A202-V222 HydrophobicContact CB-CB 4.38Å; A202-V222 PolarHBondContact N-O 2.93Å; A202-V222 PolarHBondContact O-N 2.79Å; C217-V222 HydrophobicContact CB-CG2 3.74Å; V222-L225 HydrophobicContact CB-CD1 4.46Å; V222-L225 HydrophobicContact CG1-CD1 4.3Å; V222-L225 HydrophobicContact CG1-CD2 3.99Å; V222-L225 HydrophobicContact CG1-CG 4.3Å; V222-V233 HydrophobicContact CG2-CG2 4.38Å; V222-L249 HydrophobicContact CB-CD1 4.25Å; V222-L249 HydrophobicContact CG1-CD1 4.2Å; V222-L249 HydrophobicContact CG2-CD1 4.34Å
223	H	91.4	Very high	87.7	Confident	79 Å²	79	65 Å²	65	37%	0.366	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	171.5	-174.7	-56.7	-62.4	0	0	0	113.9	T201 E221 L225	T201-H223 VanDerWaalsContact CG2-ND1 3.27Å; T201-H223 WeakPolarHBondContact CG2-ND1 3.19Å; T201-H223 PolarHBondContact OG1-ND1 2.98Å; E221-H223 IonicContact OE2-CE1 3.13Å; E221-H223 PolarHBondContact OE2-CE1 3.18Å; H223-L225 VanDerWaalsContact C-N 3.28Å; H223-L225 PolarHBondContact O-N 3.41Å
224	N	90.7	Very high	88.3	Confident	119 Å²	119	64.3 Å²	64.3	64%	0.636	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60.6	27	169.8	-61	-30	0	0	0	115.8	L199 F200	L199-N224 HydrophobicContact CD1-CB 3.98Å; F200-N224 PolarHBondContact O-N 2.92Å
225	L	92.6	Very high	89.1	Confident	17 Å²	17	56.5 Å²	56.5	9%	0.089	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	128.6	178	-62.6	175.3	0	0	0	110.8	Y191 L199 F200 A202 V222 H223 A231 L249 V251	Y191-L225 HydrophobicContact CE1-CD1 4.49Å; L199-L225 WeakPolarHBondContact CA-O 3.46Å; F200-L225 HydrophobicContact CB-CB 4.13Å; F200-L225 PolarHBondContact N-O 2.82Å; F200-L225 WeakPolarHBondContact O-CB 3.32Å; F200-L225 PolarHBondContact O-N 2.76Å; A202-L225 HydrophobicContact CB-CD1 3.38Å; V222-L225 HydrophobicContact CB-CD1 4.46Å; V222-L225 HydrophobicContact CG1-CD1 4.3Å; V222-L225 HydrophobicContact CG1-CD2 3.99Å; V222-L225 HydrophobicContact CG1-CG 4.3Å; H223-L225 VanDerWaalsContact C-N 3.28Å; H223-L225 PolarHBondContact O-N 3.41Å; L225-A231 HydrophobicContact CD2-CB 3.77Å; L225-L249 HydrophobicContact CD1-CD1 3.95Å; L225-V251 HydrophobicContact CB-CG1 4.28Å; L225-V251 HydrophobicContact CB-CG2 4.01Å; L225-V251 HydrophobicContact CD1-CG2 4.16Å
226	T	93.5	Very high	89.9	Confident	59 Å²	59	54.2 Å²	54.2	36%	0.362	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	139.5	173.5	-45.7	0	0	0	0	110.1	K229 V251	T226-K229 HydrophobicContact CG2-CD 4.12Å; T226-K229 HydrophobicContact CG2-CG 4.48Å; T226-V251 WeakPolarHBondContact O-CB 3.44Å; T226-V251 WeakPolarHBondContact O-CG1 3.44Å
227	E	93.8	Very high	90.5	Very high	42 Å²	42	50.3 Å²	50.3	20%	0.196	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	145.9	169.2	59.5	166	156.5	0	0	112.5	F200 K229 P252 G254 K257	F200-E227 HydrophobicContact CD2-CB 4.43Å; F200-E227 HydrophobicContact CE2-CB 4.12Å; E227-K229 VanDerWaalsContact C-N 3.25Å; E227-K229 PolarHBondContact O-N 2.87Å; E227-K229 VanDerWaalsContact O-N 3.16Å; E227-P252 WeakPolarHBondContact CA-O 3.34Å; E227-P252 WeakPolarHBondContact CB-O 3.24Å; E227-G254 PolarHBondContact OE2-N 2.76Å; E227-K257 WeakPolarHBondContact OE1-CE 3.49Å; E227-K257 IonicContact OE1-NZ 2.75Å; E227-K257 PolarHBondContact OE1-NZ 3.35Å; E227-K257 WeakPolarHBondContact OE2-CE 2.95Å; E227-K257 IonicContact OE2-NZ 3.23Å; E227-K257 PolarHBondContact OE2-NZ 2.88Å
228	C	93.1	Very high	90.7	Very high	17 Å²	17	55.7 Å²	55.7	12%	0.115	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	37.1	173	-54.7	0	0	0	0	115.5	V251 P252 P253 T284 C285	C228-V251 VanDerWaalsContact CA-O 3.29Å; C228-V251 WeakPolarHBondContact CA-O 3.34Å; C228-V251 PolarHBondContact N-O 2.92Å; C228-P252 PolarHBondContact N-O 3.01Å; C228-P253 VanDerWaalsContact SG-CA 3.57Å; C228-T284 WeakPolarHBondContact CB-OG1 3Å; C228-C285 WeakPolarHBondContact CA-SG 3.43Å; C228-C285 HydrophobicContact CB-CB 3.99Å; C228-C285 WeakPolarHBondContact CB-SG 3.33Å; C228-C285 WeakPolarHBondContact SG-CB 3.39Å; C228-C285 PolarHBondContact SG-N 2.66Å; C228-C285 CovalentContact SG-SG 2.03Å; C228-C285 PolarHBondContact SG-SG 3.02Å
229	K	93.7	Very high	90.9	Very high	128 Å²	128	53.9 Å²	53.9	56%	0.557	30%	0.297	S	S	*	.			trans	-133.7	134.6	170.2	-65.5	-170.9	-170.1	167.8	0	110.5	T226 E227 V251	T226-K229 HydrophobicContact CG2-CD 4.12Å; T226-K229 HydrophobicContact CG2-CG 4.48Å; E227-K229 VanDerWaalsContact C-N 3.25Å; E227-K229 PolarHBondContact O-N 2.87Å; E227-K229 VanDerWaalsContact O-N 3.16Å; K229-V251 VanDerWaalsContact O-CG2 3.22Å; K229-V251 WeakPolarHBondContact O-CG2 3.44Å
230	N	92.7	Very high	91	Very high	112 Å²	112	48.7 Å²	48.7	60%	0.599	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.3	174.5	-62.3	24.5	0	0	0	109.9	I248 L249	N230-I248 HydrophobicContact CB-CG2 4.08Å; N230-L249 WeakPolarHBondContact CA-O 3.12Å
231	A	90.5	Very high	90.9	Very high	28 Å²	28	51.1 Å²	51.1	23%	0.231	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142	166.8	0	0	0	0	0	109.8	L225 L249	L225-A231 HydrophobicContact CD2-CB 3.77Å; A231-L249 HydrophobicContact CB-CB 4.32Å; A231-L249 PolarHBondContact N-O 2.75Å; A231-L249 PolarHBondContact O-N 2.56Å
232	S	90.6	Very high	90.6	Very high	73 Å²	73	52.7 Å²	52.7	51%	0.51	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.5	173.6	51.9	0	0	0	0	110.2	N215 L247	N215-S232 PolarHBondContact ND2-O 2.88Å; S232-L247 WeakPolarHBondContact CA-O 3.08Å
233	V	91.4	Very high	90.4	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.9	174.3	65.1	0	0	0	0	109.4	C212 V222 I235 L247 L249	C212-V233 HydrophobicContact CB-CG2 3.61Å; V222-V233 HydrophobicContact CG2-CG2 4.38Å; V233-I235 HydrophobicContact CG1-CD1 4.13Å; V233-I235 HydrophobicContact CG1-CG1 4.13Å; V233-I235 HydrophobicContact CG2-CG1 4.21Å; V233-L247 HydrophobicContact CG1-CB 3.84Å; V233-L247 HydrophobicContact CG1-CD2 4.06Å; V233-L247 HydrophobicContact CG1-CG 4.2Å; V233-L247 PolarHBondContact N-O 2.83Å; V233-L247 PolarHBondContact O-N 2.83Å; V233-L249 HydrophobicContact CG1-CD1 4.13Å; V233-L249 HydrophobicContact CG1-CD2 4.39Å; V233-L249 HydrophobicContact CG1-CG 4.14Å
234	S	91.1	Very high	90.4	Very high	42 Å²	42	54.7 Å²	54.7	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	106.8	178.7	-169	0	0	0	0	108.1	C212 G213 D244	C212-S234 CarbonylContact C-O 3.59Å; C212-S234 VanDerWaalsContact CA-O 3.26Å; C212-S234 WeakPolarHBondContact CA-O 3.31Å; G213-S234 PolarHBondContact N-O 2.83Å; S234-D244 WeakPolarHBondContact OG-CB 3.25Å; S234-D244 PolarHBondContact OG-OD2 3.13Å
235	I	90.8	Very high	90.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.9	-171.1	-56.6	167.7	0	0	0	110.1	Y184 I187 L204 V210 E211 V233 K245 L247	Y184-I235 HydrophobicContact CD2-CG2 4.12Å; Y184-I235 HydrophobicContact CE2-CG2 4.27Å; I187-I235 HydrophobicContact CD1-CD1 3.91Å; L204-I235 HydrophobicContact CD1-CD1 3.84Å; L204-I235 HydrophobicContact CD1-CG1 4.28Å; L204-I235 HydrophobicContact CD2-CD1 4.27Å; V210-I235 HydrophobicContact CB-CG2 3.8Å; V210-I235 HydrophobicContact CG1-CG2 4.07Å; V210-I235 HydrophobicContact CG2-CG2 3.82Å; E211-I235 WeakPolarHBondContact O-CA 3.38Å; V233-I235 HydrophobicContact CG1-CD1 4.13Å; V233-I235 HydrophobicContact CG1-CG1 4.13Å; V233-I235 HydrophobicContact CG2-CG1 4.21Å; I235-K245 HydrophobicContact CB-CB 4.23Å; I235-K245 PolarHBondContact N-O 2.84Å; I235-K245 PolarHBondContact O-N 3.06Å; I235-L247 HydrophobicContact CD1-CB 3.99Å; I235-L247 HydrophobicContact CD1-CD2 3.76Å
236	S	89.5	Confident	90.3	Very high	26 Å²	26	53.9 Å²	53.9	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	163.1	175.2	75.5	0	0	0	0	111.3	E211 D244	E211-S236 PolarHBondContact N-O 2.98Å; E211-S236 PolarHBondContact O-N 3.36Å; S236-D244 WeakPolarHBondContact CB-OD1 3.38Å
237	H	91.1	Very high	90.2	Very high	35 Å²	35	52.2 Å²	52.2	16%	0.162	31%	0.31	C	S	.	.			trans	-156.8	150	174.6	-176	-106.6	0	0	0	110	Y184 V210 S239 C240	Y184-H237 HydrophobicContact CE2-CB 4.19Å; Y184-H237 WeakPolarHBondContact OH-CB 3.48Å; V210-H237 HydrophobicContact CG1-CB 4.45Å; H237-S239 WeakPolarHBondContact ND1-CB 3.26Å; H237-S239 PolarHBondContact ND1-N 2.86Å; H237-S239 PolarHBondContact ND1-OG 2.81Å; H237-S239 PolarHBondContact O-N 3.34Å; H237-C240 PolarHBondContact O-N 2.96Å; H237-C240 PolarHBondContact O-SG 2.91Å
238	N	87.3	Confident	90	Very high	121 Å²	121	54.6 Å²	54.6	65%	0.647	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-14.9	-176.8	67.1	36.3	0	0	0	115	K177	K177-N238 PolarHBondContact NZ-O 2.77Å
239	S	86.1	Confident	89.9	Confident	44 Å²	44	53.9 Å²	53.9	31%	0.308	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.7	179.1	77	0	0	0	0	114.7	K183 H237	K183-S239 PolarHBondContact NZ-OG 2.04Å; H237-S239 WeakPolarHBondContact ND1-CB 3.26Å; H237-S239 PolarHBondContact ND1-N 2.86Å; H237-S239 PolarHBondContact ND1-OG 2.81Å; H237-S239 PolarHBondContact O-N 3.34Å
240	C	87.6	Confident	89.9	Confident	9 Å²	9	49.5 Å²	49.5	6%	0.061	30%	0.301	C	S	.	.	S	Bend	trans	-122.8	-179.8	176.9	54.2	0	0	0	0	110.7	P178 C180 K183 H237	P178-C240 VanDerWaalsContact O-CA 3.29Å; P178-C240 WeakPolarHBondContact O-CA 3.33Å; P178-C240 VanDerWaalsContact O-CB 3.24Å; P178-C240 WeakPolarHBondContact O-CB 3.37Å; C180-C240 WeakPolarHBondContact CA-SG 3.29Å; C180-C240 HydrophobicContact CB-CB 3.92Å; C180-C240 WeakPolarHBondContact CB-SG 3.41Å; C180-C240 WeakPolarHBondContact SG-CB 3.3Å; C180-C240 CovalentContact SG-SG 2.04Å; C180-C240 PolarHBondContact SG-SG 2.65Å; K183-C240 HydrophobicContact CB-CB 4.46Å; K183-C240 HydrophobicContact CD-CB 4.12Å; H237-C240 PolarHBondContact O-N 2.96Å; H237-C240 PolarHBondContact O-SG 2.91Å
241	T	88.3	Confident	90	Very high	64 Å²	64	44.2 Å²	44.2	39%	0.393	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-128	164.5	175.7	42.1	0	0	0	0	111.8	K177 P178 T179 C180	K177-T241 HydrophobicContact CB-CG2 3.98Å; K177-T241 HydrophobicContact CD-CG2 4.16Å; K177-T241 PolarHBondContact O-OG1 3.3Å; P178-T241 PolarHBondContact O-N 2.04Å; T179-T241 CarbonylContact C-O 3.56Å; T179-T241 VanDerWaalsContact CA-O 3.23Å; T179-T241 WeakPolarHBondContact CA-O 3.24Å; C180-T241 PolarHBondContact N-O 2.76Å
242	A	84.5	Confident	90.2	Very high	79 Å²	79	42.9 Å²	42.9	65%	0.653	26%	0.262	S	S	*	.	S	Bend	trans	-56.5	149.3	173.7	0	0	0	0	0	112
243	P	88.7	Confident	90.4	Very high	78 Å²	78	39.4 Å²	39.4	51%	0.506	24%	0.237	S	C	.	.	S	Bend	cis	-70.7	148.6	0.3	29.9	-37	0	0	0	114.2	C180 D181	C180-P243 WeakPolarHBondContact CB-O 3.44Å; C180-P243 PolarHBondContact N-O 3.27Å; D181-P243 HydrophobicContact CB-CG 4.38Å; D181-P243 PolarHBondContact N-O 3.18Å; D181-P243 VanDerWaalsContact N-O 3.16Å
244	D	90.6	Very high	90.4	Very high	54 Å²	54	39.3 Å²	39.3	29%	0.289	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-60.7	151.5	168.1	-74.1	12.1	0	0	0	111.4	S234 S236 T246	S234-D244 WeakPolarHBondContact OG-CB 3.25Å; S234-D244 PolarHBondContact OG-OD2 3.13Å; S236-D244 WeakPolarHBondContact CB-OD1 3.38Å; D244-T246 PolarHBondContact O-N 2.9Å; D244-T246 VanDerWaalsContact O-N 3.11Å
245	K	90.9	Very high	90.6	Very high	34 Å²	34	38.5 Å²	38.5	15%	0.148	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	105	170.1	177.7	58.5	172.9	176.2	0	109.6	D181 Y184 I235 L247	D181-K245 HydrophobicContact CB-CD 4.45Å; D181-K245 WeakPolarHBondContact OD1-CD 3.37Å; D181-K245 WeakPolarHBondContact OD1-CE 3.35Å; D181-K245 IonicContact OD1-NZ 3.11Å; D181-K245 PolarHBondContact OD1-NZ 2.7Å; Y184-K245 HydrophobicContact CD2-CB 4.47Å; Y184-K245 WeakPolarHBondContact O-CE 3.06Å; I235-K245 HydrophobicContact CB-CB 4.23Å; I235-K245 PolarHBondContact N-O 2.84Å; I235-K245 PolarHBondContact O-N 3.06Å; K245-L247 PolarHBondContact O-N 2.94Å
246	T	90.2	Very high	90.6	Very high	85 Å²	85	41.8 Å²	41.8	52%	0.521	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	110.7	163.2	-58.7	0	0	0	0	108.9	D244 I248	D244-T246 PolarHBondContact O-N 2.9Å; D244-T246 VanDerWaalsContact O-N 3.11Å; T246-I248 HydrophobicContact CG2-CD1 4.26Å
247	L	90.8	Very high	90.9	Very high	24 Å²	24	41.3 Å²	41.3	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.9	173.3	175.1	65.7	0	0	0	109.3	I187 V189 L204 S232 V233 I235 K245 L249	I187-L247 HydrophobicContact CG2-CD1 3.94Å; I187-L247 HydrophobicContact CG2-CD2 3.89Å; I187-L247 HydrophobicContact CG2-CG 4.4Å; V189-L247 HydrophobicContact CG2-CD2 3.88Å; L204-L247 HydrophobicContact CD2-CD2 3.67Å; S232-L247 WeakPolarHBondContact CA-O 3.08Å; V233-L247 HydrophobicContact CG1-CB 3.84Å; V233-L247 HydrophobicContact CG1-CD2 4.06Å; V233-L247 HydrophobicContact CG1-CG 4.2Å; V233-L247 PolarHBondContact N-O 2.83Å; V233-L247 PolarHBondContact O-N 2.83Å; I235-L247 HydrophobicContact CD1-CB 3.99Å; I235-L247 HydrophobicContact CD1-CD2 3.76Å; K245-L247 PolarHBondContact O-N 2.94Å; L247-L249 HydrophobicContact CD2-CD2 3.76Å; L247-L249 HydrophobicContact CG-CD2 4.03Å
248	I	90.7	Very high	91	Very high	92 Å²	92	40.2 Å²	40.2	47%	0.472	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.2	172.4	-54	-56.9	0	0	0	108.5	N230 T246 D250	N230-I248 HydrophobicContact CB-CG2 4.08Å; T246-I248 HydrophobicContact CG2-CD1 4.26Å; I248-D250 PolarHBondContact O-N 2.84Å
249	L	91.6	Very high	91.4	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	96.1	173.4	-54.7	177.2	0	0	0	108	V189 Y191 A202 L204 V222 L225 N230 A231 V233 L247 V251	V189-L249 HydrophobicContact CG1-CD2 4.2Å; V189-L249 HydrophobicContact CG2-CD2 3.82Å; Y191-L249 WeakPolarHBondContact OH-CA 3.45Å; A202-L249 HydrophobicContact CB-CD1 3.95Å; A202-L249 HydrophobicContact CB-CD2 4.21Å; L204-L249 HydrophobicContact CD2-CD2 4.45Å; V222-L249 HydrophobicContact CB-CD1 4.25Å; V222-L249 HydrophobicContact CG1-CD1 4.2Å; V222-L249 HydrophobicContact CG2-CD1 4.34Å; L225-L249 HydrophobicContact CD1-CD1 3.95Å; N230-L249 WeakPolarHBondContact CA-O 3.12Å; A231-L249 HydrophobicContact CB-CB 4.32Å; A231-L249 PolarHBondContact N-O 2.75Å; A231-L249 PolarHBondContact O-N 2.56Å; V233-L249 HydrophobicContact CG1-CD1 4.13Å; V233-L249 HydrophobicContact CG1-CD2 4.39Å; V233-L249 HydrophobicContact CG1-CG 4.14Å; L247-L249 HydrophobicContact CD2-CD2 3.76Å; L247-L249 HydrophobicContact CG-CD2 4.03Å; L249-V251 HydrophobicContact CB-CG2 4.5Å; L249-V251 PolarHBondContact O-N 2.88Å
250	D	92.7	Very high	91.9	Very high	35 Å²	35	38.6 Å²	38.6	19%	0.187	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	97.4	169.3	-177.4	4	0	0	0	108.7	Y191 I248 Y325 N326	Y191-D250 PolarHBondContact OH-N 3.01Å; Y191-D250 PolarHBondContact OH-O 2.83Å; Y191-D250 VanDerWaalsContact OH-O 3.13Å; I248-D250 PolarHBondContact O-N 2.84Å; D250-Y325 HydrophobicContact CB-CE1 4.41Å; D250-Y325 VanDerWaalsContact OD1-CE1 3.28Å; D250-Y325 WeakPolarHBondContact OD1-CE1 3.15Å; D250-Y325 PolarHBondContact OD1-OH 3.04Å; D250-Y325 PolarHBondContact OD2-OH 2.77Å; D250-N326 PolarHBondContact OD2-ND2 3.07Å
251	V	94.3	Very high	92.3	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-80.2	126.3	-166.2	-174.4	0	0	0	0	110.9	Y191 F200 L225 T226 C228 K229 L249	Y191-V251 HydrophobicContact CD1-CG1 4.45Å; Y191-V251 HydrophobicContact CE1-CB 4.36Å; Y191-V251 HydrophobicContact CE1-CG1 4.26Å; Y191-V251 HydrophobicContact CE1-CG2 4.12Å; F200-V251 HydrophobicContact CB-CG1 3.87Å; F200-V251 HydrophobicContact CD2-CG1 3.5Å; F200-V251 HydrophobicContact CE2-CG1 4.25Å; F200-V251 HydrophobicContact CG-CG1 3.85Å; L225-V251 HydrophobicContact CB-CG1 4.28Å; L225-V251 HydrophobicContact CB-CG2 4.01Å; L225-V251 HydrophobicContact CD1-CG2 4.16Å; T226-V251 WeakPolarHBondContact O-CB 3.44Å; T226-V251 WeakPolarHBondContact O-CG1 3.44Å; C228-V251 VanDerWaalsContact CA-O 3.29Å; C228-V251 WeakPolarHBondContact CA-O 3.34Å; C228-V251 PolarHBondContact N-O 2.92Å; K229-V251 VanDerWaalsContact O-CG2 3.22Å; K229-V251 WeakPolarHBondContact O-CG2 3.44Å; L249-V251 HydrophobicContact CB-CG2 4.5Å; L249-V251 PolarHBondContact O-N 2.88Å
252	P	94.8	Very high	92.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-62.9	169.1	-177.3	22	-31.8	0	0	0	114.5	Y191 F200 E227 C228 Y325 F330	Y191-P252 HydrophobicContact CD1-CG 4.24Å; Y191-P252 HydrophobicContact CD2-CG 3.86Å; Y191-P252 HydrophobicContact CE2-CG 4.49Å; Y191-P252 HydrophobicContact CG-CG 3.72Å; F200-P252 HydrophobicContact CD1-CG 4.34Å; F200-P252 HydrophobicContact CE1-CG 3.8Å; F200-P252 HydrophobicContact CE2-CG 4.24Å; F200-P252 WeakPolarHBondContact CE2-O 3.48Å; F200-P252 HydrophobicContact CZ-CB 4.28Å; F200-P252 HydrophobicContact CZ-CG 3.75Å; E227-P252 WeakPolarHBondContact CA-O 3.34Å; E227-P252 WeakPolarHBondContact CB-O 3.24Å; C228-P252 PolarHBondContact N-O 3.01Å; P252-Y325 HydrophobicContact CB-CD1 3.72Å; P252-Y325 HydrophobicContact CB-CE1 4.5Å; P252-Y325 HydrophobicContact CB-CG 4.04Å; P252-F330 HydrophobicContact CB-CB 3.97Å; P252-F330 HydrophobicContact CB-CD1 4.03Å; P252-F330 HydrophobicContact CB-CD2 3.97Å; P252-F330 HydrophobicContact CB-CE2 4.5Å; P252-F330 HydrophobicContact CB-CG 3.72Å; P252-F330 HydrophobicContact CG-CB 3.78Å; P252-F330 HydrophobicContact CG-CD2 4.48Å; P252-F330 HydrophobicContact CG-CG 4.11Å
253	P	95	Very high	93.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-71.5	152	173.9	6.4	5.2	0	0	0	111.8	F200 C228 V255 F258 F283 C285 I290 F330	F200-P253 WeakPolarHBondContact CZ-O 3.47Å; C228-P253 VanDerWaalsContact SG-CA 3.57Å; P253-V255 PolarHBondContact O-N 2.85Å; P253-F258 HydrophobicContact CB-CE2 3.97Å; P253-F258 HydrophobicContact CB-CZ 4.25Å; P253-F258 HydrophobicContact CG-CE2 3.97Å; P253-F258 HydrophobicContact CG-CZ 3.93Å; P253-F283 HydrophobicContact CB-CB 3.94Å; P253-F283 HydrophobicContact CB-CD1 3.79Å; P253-F283 HydrophobicContact CB-CD2 4.04Å; P253-F283 HydrophobicContact CB-CE1 4.24Å; P253-F283 HydrophobicContact CB-CE2 4.48Å; P253-F283 HydrophobicContact CB-CG 3.67Å; P253-F283 HydrophobicContact CG-CD1 4.36Å; P253-F283 HydrophobicContact CG-CD2 4.13Å; P253-F283 HydrophobicContact CG-CE1 4.38Å; P253-F283 HydrophobicContact CG-CE2 4.16Å; P253-F283 HydrophobicContact CG-CG 4.24Å; P253-F283 HydrophobicContact CG-CZ 4.28Å; P253-C285 VanDerWaalsContact CD-SG 3.52Å; P253-C285 HydrophobicContact CG-CB 3.96Å; P253-C285 VanDerWaalsContact N-SG 3.38Å; P253-I290 HydrophobicContact CG-CD1 3.91Å; P253-F330 HydrophobicContact CG-CZ 4.39Å; P253-F330 WeakPolarHBondContact O-CE2 3.17Å
254	G	92.8	Very high	93.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-54.3	130.5	-179.3	0	0	0	0	0	113.1	E227 E256 K257	E227-G254 PolarHBondContact OE2-N 2.76Å; G254-E256 PolarHBondContact O-N 2.88Å; G254-E256 VanDerWaalsContact O-N 3.13Å; G254-K257 WeakPolarHBondContact O-CB 3.16Å; G254-K257 WeakPolarHBondContact O-CG 3.22Å; G254-K257 PolarHBondContact O-N 3.23Å; G254-K257 VanDerWaalsContact O-N 3.1Å
255	V	94.1	Very high	93.6	Very high	25 Å²	25	39 Å²	39	15%	0.152	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-55.5	-36.7	-171.6	167.2	0	0	0	0	113.2	Y193 F200 P253 K257 F258 F330	Y193-V255 VanDerWaalsContact CB-CG2 3.47Å; Y193-V255 HydrophobicContact CD1-CB 3.7Å; Y193-V255 HydrophobicContact CD1-CG2 3.95Å; Y193-V255 HydrophobicContact CD2-CG2 4.39Å; Y193-V255 HydrophobicContact CE1-CB 4.19Å; Y193-V255 HydrophobicContact CG-CB 3.96Å; Y193-V255 HydrophobicContact CG-CG2 3.69Å; F200-V255 HydrophobicContact CE1-CG2 4.41Å; F200-V255 HydrophobicContact CZ-CG2 4.33Å; P253-V255 PolarHBondContact O-N 2.85Å; V255-K257 PolarHBondContact O-N 3.37Å; V255-F258 PolarHBondContact O-N 3.23Å; V255-F330 HydrophobicContact CG2-CD2 4.09Å; V255-F330 WeakPolarHBondContact CG2-O 3.39Å
256	E	92.1	Very high	93.7	Very high	68 Å²	68	40.8 Å²	40.8	32%	0.318	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-73.6	-11.6	-174.1	-59.4	-175.4	131.1	0	0	113.6	Y193 K195 G254 F258	Y193-E256 HydrophobicContact CE1-CG 4.03Å; K195-E256 VanDerWaalsContact CD-OE1 3.24Å; K195-E256 WeakPolarHBondContact CD-OE1 3.34Å; K195-E256 WeakPolarHBondContact CE-OE1 3.27Å; K195-E256 HydrophobicContact CG-CG 4.44Å; K195-E256 WeakPolarHBondContact CG-OE1 3.5Å; K195-E256 IonicContact NZ-OE1 3.2Å; K195-E256 PolarHBondContact NZ-OE1 3.01Å; G254-E256 PolarHBondContact O-N 2.88Å; G254-E256 VanDerWaalsContact O-N 3.13Å; E256-F258 PolarHBondContact O-N 2.75Å
257	K	94.3	Very high	93.7	Very high	16 Å²	16	42.2 Å²	42.2	7%	0.07	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-72.8	-13.4	176	-54.9	-167.1	171.3	171.9	0	112.8	E227 G254 V255 N279 I280 E281 T282 F283	E227-K257 WeakPolarHBondContact OE1-CE 3.49Å; E227-K257 IonicContact OE1-NZ 2.75Å; E227-K257 PolarHBondContact OE1-NZ 3.35Å; E227-K257 WeakPolarHBondContact OE2-CE 2.95Å; E227-K257 IonicContact OE2-NZ 3.23Å; E227-K257 PolarHBondContact OE2-NZ 2.88Å; G254-K257 WeakPolarHBondContact O-CB 3.16Å; G254-K257 WeakPolarHBondContact O-CG 3.22Å; G254-K257 PolarHBondContact O-N 3.23Å; G254-K257 VanDerWaalsContact O-N 3.1Å; V255-K257 PolarHBondContact O-N 3.37Å; K257-N279 CarbonylContact O-C 3.54Å; K257-N279 WeakPolarHBondContact O-CA 3.49Å; K257-N279 PolarHBondContact O-OD1 3.37Å; K257-I280 WeakPolarHBondContact O-CG1 3.49Å; K257-I280 PolarHBondContact O-N 3.34Å; K257-E281 HydrophobicContact CB-CB 4.22Å; K257-E281 HydrophobicContact CD-CB 3.89Å; K257-E281 WeakPolarHBondContact CE-OE2 3.14Å; K257-E281 HydrophobicContact CG-CB 3.84Å; K257-E281 HydrophobicContact CG-CG 4.48Å; K257-T282 PolarHBondContact NZ-O 2.65Å; K257-F283 HydrophobicContact CD-CB 4.15Å; K257-F283 HydrophobicContact CD-CD1 4.14Å
258	F	94.7	Very high	93.8	Very high	13 Å²	13	45 Å²	45	6%	0.057	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.9	179.7	-59.5	-84.9	0	0	0	111.2	P253 V255 E256 W277 F283 I290 Y292 I323 F330	P253-F258 HydrophobicContact CB-CE2 3.97Å; P253-F258 HydrophobicContact CB-CZ 4.25Å; P253-F258 HydrophobicContact CG-CE2 3.97Å; P253-F258 HydrophobicContact CG-CZ 3.93Å; V255-F258 PolarHBondContact O-N 3.23Å; E256-F258 PolarHBondContact O-N 2.75Å; F258-W277 HydrophobicContact CB-CE3 3.77Å; F258-W277 HydrophobicContact CB-CZ3 3.79Å; F258-F283 AromaticContact CE1-CE1 3.87Å; F258-F283 HydrophobicContact CE1-CE1 3.87Å; F258-F283 HydrophobicContact CE1-CZ 4.2Å; F258-F283 HydrophobicContact CE2-CE1 4.18Å; F258-F283 HydrophobicContact CZ-CD1 4.24Å; F258-F283 AromaticContact CZ-CE1 3.39Å; F258-F283 HydrophobicContact CZ-CE1 3.39Å; F258-F283 AromaticContact CZ-CZ 3.77Å; F258-F283 HydrophobicContact CZ-CZ 3.77Å; F258-I290 HydrophobicContact CZ-CD1 4.17Å; F258-Y292 HydrophobicContact CD1-CE1 4.4Å; F258-Y292 HydrophobicContact CE1-CE1 4.46Å; F258-I323 HydrophobicContact CB-CD1 3.6Å; F258-I323 HydrophobicContact CD1-CD1 3.64Å; F258-I323 HydrophobicContact CD2-CD1 4.29Å; F258-I323 HydrophobicContact CE1-CD1 4.4Å; F258-I323 HydrophobicContact CG-CD1 3.57Å; F258-F330 AromaticContact CD2-CE2 3.93Å; F258-F330 HydrophobicContact CD2-CE2 3.93Å; F258-F330 HydrophobicContact CD2-CZ 4.08Å; F258-F330 AromaticContact CE2-CE2 3.65Å; F258-F330 HydrophobicContact CE2-CE2 3.65Å; F258-F330 AromaticContact CE2-CZ 3.6Å; F258-F330 HydrophobicContact CE2-CZ 3.6Å; F258-F330 HydrophobicContact CZ-CZ 4.05Å
259	Q	95.3	Very high	93.9	Very high	104 Å²	104	40.8 Å²	40.8	49%	0.486	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.1	175.4	-168.4	178.4	60.3	0	0	111	H261 K278 I280	Q259-H261 PolarHBondContact O-N 2.86Å; Q259-K278 PolarHBondContact N-O 3.03Å; Q259-K278 PolarHBondContact O-N 3.48Å; Q259-I280 HydrophobicContact CB-CG2 4.09Å
260	L	96.2	Very high	94	Very high	27 Å²	27	41.2 Å²	41.2	14%	0.141	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	112.5	173.4	177.3	55.8	0	0	0	109.4	L275 W277 F294 A333 K335	L260-L275 HydrophobicContact CD1-CB 4.21Å; L260-L275 HydrophobicContact CD1-CD2 4.17Å; L260-W277 HydrophobicContact CB-CD2 4.17Å; L260-W277 HydrophobicContact CB-CE3 4.02Å; L260-W277 HydrophobicContact CB-CH2 3.95Å; L260-W277 HydrophobicContact CB-CZ2 4.04Å; L260-W277 HydrophobicContact CB-CZ3 3.92Å; L260-W277 HydrophobicContact CD1-CD2 4.46Å; L260-W277 VanDerWaalsContact N-CE3 3.32Å; L260-F294 HydrophobicContact CD1-CE1 3.7Å; L260-F294 HydrophobicContact CD1-CZ 3.99Å; L260-A333 HydrophobicContact CB-CB 4.13Å; L260-A333 HydrophobicContact CD2-CB 3.89Å; L260-K335 HydrophobicContact CD2-CB 4.16Å
261	H	95.3	Very high	94.1	Very high	68 Å²	68	41.8 Å²	41.8	32%	0.315	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143	-174.2	-176.6	72.9	0	0	0	111.4	Q259 K276 K278	Q259-H261 PolarHBondContact O-N 2.86Å; H261-K276 WeakPolarHBondContact CB-O 3.22Å; H261-K276 PolarHBondContact N-O 3.33Å; H261-K276 PolarHBondContact O-N 2.81Å; H261-K278 HydrophobicContact CB-CD 3.89Å; H261-K278 HydrophobicContact CB-CG 4.11Å; H261-K278 WeakPolarHBondContact CD2-CE 3.4Å; H261-K278 PolarHBondContact CD2-NZ 3.42Å; H261-K278 PolarHBondContact CE1-NZ 2.85Å; H261-K278 PolarHBondContact NE2-NZ 2.94Å
262	D	95.3	Very high	94.2	Very high	48 Å²	48	42.4 Å²	42.4	26%	0.257	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.8	172.3	-161.4	-40.1	0	0	0	109.2	T264 K335 I337	D262-T264 WeakPolarHBondContact OD1-CB 3.49Å; D262-T264 PolarHBondContact OD1-N 3Å; D262-T264 VanDerWaalsContact OD1-N 3.08Å; D262-T264 PolarHBondContact OD1-OG1 3.05Å; D262-K335 HydrophobicContact CB-CD 4.43Å; D262-K335 IonicContact OD2-NZ 2.6Å; D262-K335 PolarHBondContact OD2-NZ 2.96Å; D262-I337 VanDerWaalsContact OD2-CD1 3.28Å; D262-I337 WeakPolarHBondContact OD2-CD1 3.14Å
263	C	95	Very high	94.2	Very high	36 Å²	36	42.4 Å²	42.4	24%	0.243	22%	0.215	C	C	.	.			trans	-113.4	18.3	-179.1	46.8	0	0	0	0	112.5	Q265 C274 L275	C263-Q265 PolarHBondContact O-N 2.94Å; C263-C274 VanDerWaalsContact C-CB 3.46Å; C263-C274 HydrophobicContact CB-CB 3.94Å; C263-C274 WeakPolarHBondContact CB-SG 3.48Å; C263-C274 PolarHBondContact N-O 3.14Å; C263-C274 WeakPolarHBondContact O-CB 3.34Å; C263-C274 WeakPolarHBondContact SG-CB 3.46Å; C263-C274 PolarHBondContact SG-O 3.47Å; C263-C274 VanDerWaalsContact SG-O 3.37Å; C263-C274 CovalentContact SG-SG 2.05Å; C263-C274 PolarHBondContact SG-SG 2.87Å; C263-L275 PolarHBondContact SG-N 3.03Å; C263-L275 VanDerWaalsContact SG-N 3.45Å
264	T	95.1	Very high	94.3	Very high	27 Å²	27	42.8 Å²	42.8	17%	0.166	22%	0.218	C	C	.	.			trans	-66.1	122.9	-172.3	-52.9	0	0	0	0	111.2	D262 V266 A269 T272 C274	D262-T264 WeakPolarHBondContact OD1-CB 3.49Å; D262-T264 PolarHBondContact OD1-N 3Å; D262-T264 VanDerWaalsContact OD1-N 3.08Å; D262-T264 PolarHBondContact OD1-OG1 3.05Å; T264-V266 PolarHBondContact O-N 2.81Å; T264-A269 HydrophobicContact CG2-CB 4.08Å; T264-T272 VanDerWaalsContact CG2-O 3.28Å; T264-T272 WeakPolarHBondContact CG2-O 3.36Å; T264-C274 PolarHBondContact OG1-N 3.09Å
265	Q	93.9	Very high	94.5	Very high	113 Å²	113	42.8 Å²	42.8	53%	0.528	22%	0.218	S	C	.	.			trans	-66	127.2	177.7	-73.3	-179.3	-31.6	0	0	110	C263 E267 K268 A269	C263-Q265 PolarHBondContact O-N 2.94Å; Q265-E267 WeakPolarHBondContact CB-OE2 3.33Å; Q265-E267 PolarHBondContact O-N 2.84Å; Q265-K268 HydrophobicContact CB-CB 4.48Å; Q265-K268 CarbonylContact O-C 3.52Å; Q265-K268 PolarHBondContact O-N 2.85Å; Q265-A269 PolarHBondContact O-N 2.87Å
266	V	92.8	Very high	94.6	Very high	71 Å²	71	45.1 Å²	45.1	43%	0.43	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-63.8	-30.1	-172.3	-63.9	0	0	0	0	112.5	T264 K268 K418 V419 R421	T264-V266 PolarHBondContact O-N 2.81Å; V266-K268 VanDerWaalsContact C-N 3.32Å; V266-K268 PolarHBondContact O-N 2.65Å; V266-K418 HydrophobicContact CB-CB 4.49Å; V266-V419 HydrophobicContact CB-CG1 4.46Å; V266-V419 HydrophobicContact CG2-CG1 4.19Å; V266-R421 PolarHBondContact O-NH2 2.89Å
267	E	91.6	Very high	94.8	Very high	116 Å²	116	42.1 Å²	42.1	54%	0.542	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-66.7	-34.2	177.4	-50.8	78.4	-174.1	0	0	111.6	Q265 R421	Q265-E267 WeakPolarHBondContact CB-OE2 3.33Å; Q265-E267 PolarHBondContact O-N 2.84Å; E267-R421 PolarHBondContact O-NH1 3.25Å; E267-R421 PolarHBondContact O-NH2 2.91Å
268	K	92.8	Very high	94.8	Very high	83 Å²	83	45.4 Å²	45.4	36%	0.361	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-107.4	9.6	-179	-65.6	-168.2	171.8	-170.4	0	113.9	Q265 V266 D270 T271 T272 E309	Q265-K268 HydrophobicContact CB-CB 4.48Å; Q265-K268 CarbonylContact O-C 3.52Å; Q265-K268 PolarHBondContact O-N 2.85Å; V266-K268 VanDerWaalsContact C-N 3.32Å; V266-K268 PolarHBondContact O-N 2.65Å; K268-D270 PolarHBondContact O-N 2.82Å; K268-D270 VanDerWaalsContact O-N 3.08Å; K268-T271 PolarHBondContact O-N 2.92Å; K268-T271 PolarHBondContact O-OG1 3.18Å; K268-T272 HydrophobicContact CB-CG2 3.82Å; K268-T272 VanDerWaalsContact CB-OG1 3.25Å; K268-T272 WeakPolarHBondContact CB-OG1 3.39Å; K268-T272 HydrophobicContact CD-CG2 3.89Å; K268-T272 HydrophobicContact CG-CG2 4.48Å; K268-T272 PolarHBondContact O-N 3.1Å; K268-T272 PolarHBondContact O-OG1 3.28Å; K268-E309 IonicContact NZ-OE1 2.79Å; K268-E309 PolarHBondContact NZ-OE1 3.01Å
269	A	93.4	Very high	94.7	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.5	-171.1	0	0	0	0	0	114.9	T264 Q265 T339 D340 K418	T264-A269 HydrophobicContact CG2-CB 4.08Å; Q265-A269 PolarHBondContact O-N 2.87Å; A269-T339 CarbonylContact O-C 3.57Å; A269-T339 WeakPolarHBondContact O-CA 3.28Å; A269-D340 HydrophobicContact CB-CB 4.01Å; A269-D340 PolarHBondContact O-N 2.94Å; A269-K418 HydrophobicContact CB-CD 4Å
270	D	93.8	Very high	94.6	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.059	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-24.4	172.4	63.4	-21.1	0	0	0	113.3	K268 P313 T339 D340 F341 R421	K268-D270 PolarHBondContact O-N 2.82Å; K268-D270 VanDerWaalsContact O-N 3.08Å; D270-P313 HydrophobicContact CB-CB 4.29Å; D270-P313 HydrophobicContact CB-CG 4.29Å; D270-P313 VanDerWaalsContact O-CA 3.25Å; D270-P313 WeakPolarHBondContact O-CA 3.35Å; D270-P313 WeakPolarHBondContact O-CG 3.31Å; D270-T339 WeakPolarHBondContact O-CB 3.38Å; D270-D340 HydrophobicContact CB-CB 4.39Å; D270-F341 WeakPolarHBondContact CB-O 3.34Å; D270-R421 IonicContact OD1-CZ 3.75Å; D270-R421 IonicContact OD1-NH1 3.42Å; D270-R421 PolarHBondContact OD1-NH1 3.26Å; D270-R421 VanDerWaalsContact OD1-NH1 3.11Å; D270-R421 IonicContact OD1-NH2 2.56Å; D270-R421 WeakPolarHBondContact OD2-CD 3.5Å; D270-R421 IonicContact OD2-CZ 2.63Å; D270-R421 IonicContact OD2-NE 3.85Å; D270-R421 PolarHBondContact OD2-NE 3.34Å; D270-R421 IonicContact OD2-NH1 2.64Å; D270-R421 PolarHBondContact OD2-NH1 2.7Å
271	T	94.3	Very high	94.4	Very high	46 Å²	46	50.5 Å²	50.5	28%	0.282	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-2.1	-166.5	45.2	0	0	0	0	113.3	K268 E309 N310 L311 P313	K268-T271 PolarHBondContact O-N 2.92Å; K268-T271 PolarHBondContact O-OG1 3.18Å; T271-E309 CarbonylContact O-C 3.5Å; T271-E309 WeakPolarHBondContact O-CA 3.19Å; T271-N310 PolarHBondContact O-N 2.81Å; T271-L311 PolarHBondContact O-N 3.11Å; T271-P313 HydrophobicContact CG2-CG 4.43Å
272	T	95.4	Very high	94.2	Very high	14 Å²	14	53.4 Å²	53.4	9%	0.086	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.9	-178.4	67.8	0	0	0	0	113.1	T264 K268 L308 E309	T264-T272 VanDerWaalsContact CG2-O 3.28Å; T264-T272 WeakPolarHBondContact CG2-O 3.36Å; K268-T272 HydrophobicContact CB-CG2 3.82Å; K268-T272 VanDerWaalsContact CB-OG1 3.25Å; K268-T272 WeakPolarHBondContact CB-OG1 3.39Å; K268-T272 HydrophobicContact CD-CG2 3.89Å; K268-T272 HydrophobicContact CG-CG2 4.48Å; K268-T272 PolarHBondContact O-N 3.1Å; K268-T272 PolarHBondContact O-OG1 3.28Å; T272-L308 WeakPolarHBondContact CA-O 2.86Å; T272-L308 VanDerWaalsContact CB-O 3.26Å; T272-L308 WeakPolarHBondContact CB-O 3.09Å; T272-E309 HydrophobicContact CG2-CB 4.11Å; T272-E309 HydrophobicContact CG2-CG 3.82Å
273	I	95.5	Very high	94.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135	168.6	-74.8	172.2	0	0	0	107.9	L275 K307 L308 L311 Y317 I337	I273-L275 HydrophobicContact CG2-CG 4.2Å; I273-K307 CarbonylContact O-C 3.55Å; I273-K307 WeakPolarHBondContact O-CA 3.48Å; I273-L308 HydrophobicContact CB-CB 4.43Å; I273-L308 PolarHBondContact N-O 3.31Å; I273-L308 PolarHBondContact O-N 2.57Å; I273-L311 HydrophobicContact CB-CD1 3.93Å; I273-L311 HydrophobicContact CD1-CD1 3.56Å; I273-L311 HydrophobicContact CG1-CD1 3.54Å; I273-Y317 HydrophobicContact CD1-CD2 3.85Å; I273-Y317 HydrophobicContact CD1-CG 4.04Å; I273-I337 HydrophobicContact CD1-CB 3.92Å; I273-I337 HydrophobicContact CD1-CG2 3.92Å; I273-I337 HydrophobicContact CG1-CB 4.34Å; I273-I337 HydrophobicContact CG1-CG2 3.89Å; I273-I337 HydrophobicContact CG2-CD1 3.65Å
274	C	96.6	Very high	94.1	Very high	8 Å²	8	57 Å²	57	5%	0.054	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.9	171.5	-179.9	0	0	0	0	110.1	C263 T264 I306 K307	C263-C274 VanDerWaalsContact C-CB 3.46Å; C263-C274 HydrophobicContact CB-CB 3.94Å; C263-C274 WeakPolarHBondContact CB-SG 3.48Å; C263-C274 PolarHBondContact N-O 3.14Å; C263-C274 WeakPolarHBondContact O-CB 3.34Å; C263-C274 WeakPolarHBondContact SG-CB 3.46Å; C263-C274 PolarHBondContact SG-O 3.47Å; C263-C274 VanDerWaalsContact SG-O 3.37Å; C263-C274 CovalentContact SG-SG 2.05Å; C263-C274 PolarHBondContact SG-SG 2.87Å; T264-C274 PolarHBondContact OG1-N 3.09Å; C274-I306 WeakPolarHBondContact CA-O 3.49Å; C274-K307 HydrophobicContact CB-CG 4.04Å; C274-K307 VanDerWaalsContact SG-CE 3.58Å
275	L	96.8	Very high	93.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.6	176	-72.8	175.8	0	0	0	110.7	L260 C263 I273 F294 E305 I306 C319 K335 I337	L260-L275 HydrophobicContact CD1-CB 4.21Å; L260-L275 HydrophobicContact CD1-CD2 4.17Å; C263-L275 PolarHBondContact SG-N 3.03Å; C263-L275 VanDerWaalsContact SG-N 3.45Å; I273-L275 HydrophobicContact CG2-CG 4.2Å; L275-F294 HydrophobicContact CB-CD1 4.34Å; L275-F294 HydrophobicContact CB-CE1 3.67Å; L275-F294 HydrophobicContact CB-CZ 4.26Å; L275-F294 HydrophobicContact CD1-CD1 4.25Å; L275-F294 HydrophobicContact CD1-CE1 4.12Å; L275-E305 CarbonylContact O-C 3.57Å; L275-E305 WeakPolarHBondContact O-CA 3.46Å; L275-I306 HydrophobicContact CB-CD1 4.3Å; L275-I306 HydrophobicContact CB-CG1 3.83Å; L275-I306 HydrophobicContact CD1-CD1 4.42Å; L275-I306 PolarHBondContact N-O 2.93Å; L275-I306 PolarHBondContact O-N 3.49Å; L275-C319 HydrophobicContact CD1-CB 3.4Å; L275-K335 HydrophobicContact CD2-CB 4.42Å; L275-K335 HydrophobicContact CD2-CD 3.9Å; L275-I337 HydrophobicContact CD2-CD1 3.74Å; L275-I337 HydrophobicContact CG-CD1 4.19Å
276	K	96.6	Very high	93.8	Very high	74 Å²	74	54.3 Å²	54.3	32%	0.322	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	130.6	-177.2	-175.8	171.4	-167.3	145.6	0	111.7	H261 K278 K304 E305	H261-K276 WeakPolarHBondContact CB-O 3.22Å; H261-K276 PolarHBondContact N-O 3.33Å; H261-K276 PolarHBondContact O-N 2.81Å; K276-K278 PolarHBondContact O-N 3.41Å; K276-K304 WeakPolarHBondContact CA-O 3.37Å; K276-E305 HydrophobicContact CB-CB 4.32Å; K276-E305 HydrophobicContact CB-CG 4.17Å; K276-E305 HydrophobicContact CD-CB 4.38Å; K276-E305 HydrophobicContact CD-CG 4.3Å; K276-E305 VanDerWaalsContact CD-OE2 3.27Å; K276-E305 WeakPolarHBondContact CD-OE2 3.18Å; K276-E305 VanDerWaalsContact CE-OE2 3.31Å; K276-E305 WeakPolarHBondContact CE-OE2 3.42Å; K276-E305 HydrophobicContact CG-CB 4.11Å; K276-E305 HydrophobicContact CG-CG 4.31Å; K276-E305 IonicContact NZ-OE2 3.02Å; K276-E305 PolarHBondContact NZ-OE2 2.76Å
277	W	95.9	Very high	93.7	Very high	6 Å²	6	55.2 Å²	55.2	2%	0.023	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	110.3	165.6	-78.1	103.6	0	0	0	110.2	F258 L260 Y292 F294 K304 S321 I323 A333	F258-W277 HydrophobicContact CB-CE3 3.77Å; F258-W277 HydrophobicContact CB-CZ3 3.79Å; L260-W277 HydrophobicContact CB-CD2 4.17Å; L260-W277 HydrophobicContact CB-CE3 4.02Å; L260-W277 HydrophobicContact CB-CH2 3.95Å; L260-W277 HydrophobicContact CB-CZ2 4.04Å; L260-W277 HydrophobicContact CB-CZ3 3.92Å; L260-W277 HydrophobicContact CD1-CD2 4.46Å; L260-W277 VanDerWaalsContact N-CE3 3.32Å; W277-Y292 HydrophobicContact CB-CD1 3.63Å; W277-Y292 HydrophobicContact CB-CE1 3.7Å; W277-Y292 AromaticContact CD1-CD1 3.64Å; W277-Y292 AromaticContact CG-CD1 3.73Å; W277-Y292 HydrophobicContact CG-CD1 3.73Å; W277-Y292 HydrophobicContact CG-CE1 4.18Å; W277-F294 AromaticContact CD1-CE2 3.74Å; W277-F294 AromaticContact CD1-CZ 3.43Å; W277-F294 VanDerWaalsContact CD1-CZ 3.43Å; W277-F294 HydrophobicContact CG-CZ 4.47Å; W277-F294 AromaticContact NE1-CZ 3.7Å; W277-K304 HydrophobicContact CB-CG 4.33Å; W277-K304 PolarHBondContact N-O 2.87Å; W277-K304 WeakPolarHBondContact O-CE 3.29Å; W277-S321 PolarHBondContact NE1-OG 2.81Å; W277-I323 HydrophobicContact CD2-CD1 3.63Å; W277-I323 HydrophobicContact CD2-CG1 4.06Å; W277-I323 HydrophobicContact CE3-CD1 3.71Å; W277-I323 HydrophobicContact CG-CD1 4.09Å; W277-I323 HydrophobicContact CG-CG1 4.42Å; W277-I323 HydrophobicContact CH2-CD1 4.17Å; W277-I323 HydrophobicContact CH2-CG1 4.43Å; W277-I323 HydrophobicContact CZ2-CD1 4.14Å; W277-I323 HydrophobicContact CZ2-CG1 3.99Å; W277-I323 HydrophobicContact CZ3-CD1 3.97Å; W277-A333 HydrophobicContact CH2-CB 3.59Å; W277-A333 HydrophobicContact CZ2-CB 3.86Å
278	K	94.6	Very high	93.6	Very high	85 Å²	85	56.8 Å²	56.8	37%	0.37	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	138.4	167.5	-75.9	-179.4	170	172	0	109	Q259 H261 K276 I280	Q259-K278 PolarHBondContact N-O 3.03Å; Q259-K278 PolarHBondContact O-N 3.48Å; H261-K278 HydrophobicContact CB-CD 3.89Å; H261-K278 HydrophobicContact CB-CG 4.11Å; H261-K278 WeakPolarHBondContact CD2-CE 3.4Å; H261-K278 PolarHBondContact CD2-NZ 3.42Å; H261-K278 PolarHBondContact CE1-NZ 2.85Å; H261-K278 PolarHBondContact NE2-NZ 2.94Å; K276-K278 PolarHBondContact O-N 3.41Å; K278-I280 HydrophobicContact CB-CG2 4.48Å
279	N	93.2	Very high	93.6	Very high	65 Å²	65	55.2 Å²	55.2	35%	0.348	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.7	164.3	-174	41	0	0	0	107.5	K257 E281 F283	K257-N279 CarbonylContact O-C 3.54Å; K257-N279 WeakPolarHBondContact O-CA 3.49Å; K257-N279 PolarHBondContact O-OD1 3.37Å; N279-E281 PolarHBondContact ND2-O 3.16Å; N279-E281 PolarHBondContact OD1-O 2.9Å; N279-F283 WeakPolarHBondContact OD1-CE1 3.26Å
280	I	92.9	Very high	93.7	Very high	94 Å²	94	55.6 Å²	55.6	48%	0.482	30%	0.295	S	S	.	.			trans	-106.5	-15.9	-173.4	64.7	165.4	0	0	0	113.8	K257 Q259 K278	K257-I280 WeakPolarHBondContact O-CG1 3.49Å; K257-I280 PolarHBondContact O-N 3.34Å; Q259-I280 HydrophobicContact CB-CG2 4.09Å; K278-I280 HydrophobicContact CB-CG2 4.48Å
281	E	91.8	Very high	93.7	Very high	91 Å²	91	57.7 Å²	57.7	43%	0.425	31%	0.308	S	S	.	.	S	Bend	trans	-133.2	161	172.9	-65.5	-175.6	175.6	0	0	110.4	K257 N279	K257-E281 HydrophobicContact CB-CB 4.22Å; K257-E281 HydrophobicContact CD-CB 3.89Å; K257-E281 WeakPolarHBondContact CE-OE2 3.14Å; K257-E281 HydrophobicContact CG-CB 3.84Å; K257-E281 HydrophobicContact CG-CG 4.48Å; N279-E281 PolarHBondContact ND2-O 3.16Å; N279-E281 PolarHBondContact OD1-O 2.9Å
282	T	91.2	Very high	93.8	Very high	129 Å²	129	56.3 Å²	56.3	79%	0.791	30%	0.298	S	S	*	.			trans	-82.8	154.2	175.3	49.5	0	0	0	0	112.5	K257	K257-T282 PolarHBondContact NZ-O 2.65Å
283	F	93.8	Very high	93.8	Very high	35 Å²	35	59.6 Å²	59.6	15%	0.154	31%	0.309	C	S	.	.			trans	-147.3	163.1	175.5	54.6	-108.8	0	0	0	110.3	P253 K257 F258 N279 C285 T287 I290	P253-F283 HydrophobicContact CB-CB 3.94Å; P253-F283 HydrophobicContact CB-CD1 3.79Å; P253-F283 HydrophobicContact CB-CD2 4.04Å; P253-F283 HydrophobicContact CB-CE1 4.24Å; P253-F283 HydrophobicContact CB-CE2 4.48Å; P253-F283 HydrophobicContact CB-CG 3.67Å; P253-F283 HydrophobicContact CG-CD1 4.36Å; P253-F283 HydrophobicContact CG-CD2 4.13Å; P253-F283 HydrophobicContact CG-CE1 4.38Å; P253-F283 HydrophobicContact CG-CE2 4.16Å; P253-F283 HydrophobicContact CG-CG 4.24Å; P253-F283 HydrophobicContact CG-CZ 4.28Å; K257-F283 HydrophobicContact CD-CB 4.15Å; K257-F283 HydrophobicContact CD-CD1 4.14Å; F258-F283 AromaticContact CE1-CE1 3.87Å; F258-F283 HydrophobicContact CE1-CE1 3.87Å; F258-F283 HydrophobicContact CE1-CZ 4.2Å; F258-F283 HydrophobicContact CE2-CE1 4.18Å; F258-F283 HydrophobicContact CZ-CD1 4.24Å; F258-F283 AromaticContact CZ-CE1 3.39Å; F258-F283 HydrophobicContact CZ-CE1 3.39Å; F258-F283 AromaticContact CZ-CZ 3.77Å; F258-F283 HydrophobicContact CZ-CZ 3.77Å; N279-F283 WeakPolarHBondContact OD1-CE1 3.26Å; F283-C285 HydrophobicContact CD2-CB 3.9Å; F283-C285 HydrophobicContact CE2-CB 4.25Å; F283-T287 HydrophobicContact CE2-CG2 3.78Å; F283-T287 HydrophobicContact CZ-CG2 4.01Å; F283-I290 HydrophobicContact CE2-CD1 3.61Å; F283-I290 HydrophobicContact CZ-CD1 3.49Å; F283-I290 VanDerWaalsContact CZ-CD1 3.49Å
284	T	93.3	Very high	93.9	Very high	124 Å²	124	59.7 Å²	59.7	76%	0.761	31%	0.31	S	S	*	.			trans	-100.1	-6.9	-175.5	49.9	0	0	0	0	114.6	C228	C228-T284 WeakPolarHBondContact CB-OG1 3Å
285	C	92.6	Very high	93.8	Very high	11 Å²	11	63.8 Å²	63.8	7%	0.074	33%	0.328	C	S	.	.	S	Bend	trans	-61.2	147.6	172.7	-65.2	0	0	0	0	110.7	C228 P253 F283 T287 Y325	C228-C285 WeakPolarHBondContact CA-SG 3.43Å; C228-C285 HydrophobicContact CB-CB 3.99Å; C228-C285 WeakPolarHBondContact CB-SG 3.33Å; C228-C285 WeakPolarHBondContact SG-CB 3.39Å; C228-C285 PolarHBondContact SG-N 2.66Å; C228-C285 CovalentContact SG-SG 2.03Å; C228-C285 PolarHBondContact SG-SG 3.02Å; P253-C285 VanDerWaalsContact CD-SG 3.52Å; P253-C285 HydrophobicContact CG-CB 3.96Å; P253-C285 VanDerWaalsContact N-SG 3.38Å; F283-C285 HydrophobicContact CD2-CB 3.9Å; F283-C285 HydrophobicContact CE2-CB 4.25Å; C285-T287 PolarHBondContact O-N 2.89Å; C285-Y325 HydrophobicContact CB-CE2 3.96Å
286	D	90.8	Very high	93.5	Very high	73 Å²	73	64.2 Å²	64.2	39%	0.39	33%	0.331	S	S	.	.			trans	-70	125	174.1	-161.7	-33.7	0	0	0	111	Q288 N289	D286-Q288 VanDerWaalsContact C-N 3.26Å; D286-Q288 PolarHBondContact O-N 2.03Å; D286-Q288 WeakPolarHBondContact OD1-CG 3.15Å; D286-Q288 PolarHBondContact OD1-N 3.16Å; D286-Q288 PolarHBondContact OD2-NE2 3.41Å; D286-N289 PolarHBondContact O-N 3.46Å
287	T	89.9	Confident	93	Very high	90 Å²	90	63 Å²	63	55%	0.552	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-68	-20.3	177.4	53	0	0	0	0	114.1	F283 C285 N289 I290	F283-T287 HydrophobicContact CE2-CG2 3.78Å; F283-T287 HydrophobicContact CZ-CG2 4.01Å; C285-T287 PolarHBondContact O-N 2.89Å; T287-N289 PolarHBondContact O-N 3.07Å; T287-I290 PolarHBondContact O-N 3.08Å
288	Q	91.1	Very high	92.5	Very high	149 Å²	149	70.5 Å²	70.5	70%	0.696	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-68.5	-23.5	177.1	83.6	-173.6	-66	0	0	112.3	D286 I290	D286-Q288 VanDerWaalsContact C-N 3.26Å; D286-Q288 PolarHBondContact O-N 2.03Å; D286-Q288 WeakPolarHBondContact OD1-CG 3.15Å; D286-Q288 PolarHBondContact OD1-N 3.16Å; D286-Q288 PolarHBondContact OD2-NE2 3.41Å; Q288-I290 VanDerWaalsContact C-N 3.3Å
289	N	92.8	Very high	92.3	Very high	51 Å²	51	71 Å²	71	27%	0.273	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-84.7	-3.6	178.2	-63.4	13	0	0	0	112.7	D286 T287 Y325 N326	D286-N289 PolarHBondContact O-N 3.46Å; T287-N289 PolarHBondContact O-N 3.07Å; N289-Y325 HydrophobicContact CB-CD2 3.86Å; N289-Y325 HydrophobicContact CB-CE2 3.62Å; N289-Y325 WeakPolarHBondContact O-CA 3.4Å; N289-N326 WeakPolarHBondContact CB-OD1 3.02Å; N289-N326 PolarHBondContact ND2-OD1 2.85Å; N289-N326 PolarHBondContact O-N 3.01Å
290	I	94.5	Very high	92.3	Very high	10 Å²	10	72.6 Å²	72.6	5%	0.051	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	112.6	-176.9	-56.8	174.2	0	0	0	110.4	P253 F258 F283 T287 Q288 Y292 I323 L324 Y325	P253-I290 HydrophobicContact CG-CD1 3.91Å; F258-I290 HydrophobicContact CZ-CD1 4.17Å; F283-I290 HydrophobicContact CE2-CD1 3.61Å; F283-I290 HydrophobicContact CZ-CD1 3.49Å; F283-I290 VanDerWaalsContact CZ-CD1 3.49Å; T287-I290 PolarHBondContact O-N 3.08Å; Q288-I290 VanDerWaalsContact C-N 3.3Å; I290-Y292 HydrophobicContact CB-CE2 4.46Å; I290-Y292 HydrophobicContact CG2-CE1 4.23Å; I290-Y292 HydrophobicContact CG2-CE2 3.78Å; I290-Y292 WeakPolarHBondContact CG2-OH 3.37Å; I290-Y292 WeakPolarHBondContact O-CE2 3.44Å; I290-I323 HydrophobicContact CG2-CG2 3.45Å; I290-I323 VanDerWaalsContact CG2-CG2 3.45Å; I290-L324 WeakPolarHBondContact CA-O 3.4Å; I290-Y325 HydrophobicContact CG1-CD2 3.73Å; I290-Y325 HydrophobicContact CG1-CE2 4.31Å
291	T	94.9	Very high	92.4	Very high	55 Å²	55	70.9 Å²	70.9	34%	0.337	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	150.7	174	60.4	0	0	0	0	111.2	I323 L324	T291-I323 WeakPolarHBondContact O-CA 3.45Å; T291-I323 WeakPolarHBondContact O-CG2 3.35Å; T291-L324 PolarHBondContact N-O 2.75Å; T291-L324 PolarHBondContact O-N 2.82Å
292	Y	95.9	Very high	92.4	Very high	18 Å²	18	71.8 Å²	71.8	7%	0.071	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.1	-174	-53.7	-102.6	0	0	0	107.9	F258 W277 I290 D302 N303 K304 I323	F258-Y292 HydrophobicContact CD1-CE1 4.4Å; F258-Y292 HydrophobicContact CE1-CE1 4.46Å; W277-Y292 HydrophobicContact CB-CD1 3.63Å; W277-Y292 HydrophobicContact CB-CE1 3.7Å; W277-Y292 AromaticContact CD1-CD1 3.64Å; W277-Y292 AromaticContact CG-CD1 3.73Å; W277-Y292 HydrophobicContact CG-CD1 3.73Å; W277-Y292 HydrophobicContact CG-CE1 4.18Å; I290-Y292 HydrophobicContact CB-CE2 4.46Å; I290-Y292 HydrophobicContact CG2-CE1 4.23Å; I290-Y292 HydrophobicContact CG2-CE2 3.78Å; I290-Y292 WeakPolarHBondContact CG2-OH 3.37Å; I290-Y292 WeakPolarHBondContact O-CE2 3.44Å; Y292-D302 CarbonylContact O-C 3.51Å; Y292-D302 VanDerWaalsContact O-C 3.32Å; Y292-D302 VanDerWaalsContact O-CA 3.3Å; Y292-D302 WeakPolarHBondContact O-CA 3.48Å; Y292-N303 PolarHBondContact O-N 3.1Å; Y292-K304 HydrophobicContact CD1-CB 4.48Å; Y292-K304 HydrophobicContact CD1-CG 4.11Å; Y292-K304 HydrophobicContact CD2-CB 3.69Å; Y292-K304 HydrophobicContact CD2-CD 4.31Å; Y292-K304 HydrophobicContact CD2-CG 4Å; Y292-K304 HydrophobicContact CE1-CD 4.11Å; Y292-K304 HydrophobicContact CE1-CG 3.96Å; Y292-K304 HydrophobicContact CE2-CB 3.97Å; Y292-K304 HydrophobicContact CE2-CD 3.71Å; Y292-K304 HydrophobicContact CE2-CG 3.9Å; Y292-K304 HydrophobicContact CG-CB 4Å; Y292-K304 HydrophobicContact CG-CG 4.14Å; Y292-K304 WeakPolarHBondContact OH-CE 3.43Å; Y292-K304 PolarHBondContact OH-NZ 3.36Å; Y292-I323 HydrophobicContact CD1-CD1 4.08Å; Y292-I323 HydrophobicContact CD1-CG1 3.99Å; Y292-I323 HydrophobicContact CD1-CG2 3.9Å; Y292-I323 HydrophobicContact CE1-CD1 4.03Å; Y292-I323 HydrophobicContact CE1-CG1 4.39Å; Y292-I323 HydrophobicContact CE1-CG2 3.94Å; Y292-I323 HydrophobicContact CG-CG2 4.45Å
293	R	95.9	Very high	92.6	Very high	83 Å²	83	70.4 Å²	70.4	31%	0.313	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140	-176.9	-49.5	-170.3	60.8	-134.9	4.2	109.9	F301 D302 S321 E322 L324	R293-F301 CarbonylContact C-O 3.58Å; R293-F301 WeakPolarHBondContact CA-O 3.4Å; R293-D302 VanDerWaalsContact CG-OD1 3.26Å; R293-D302 WeakPolarHBondContact CG-OD1 3.47Å; R293-D302 IonicContact CZ-OD1 2.7Å; R293-D302 IonicContact NE-OD1 3.97Å; R293-D302 PolarHBondContact NE-OD1 3.37Å; R293-D302 IonicContact NH2-OD1 3.81Å; R293-S321 CarbonylContact O-C 3.47Å; R293-S321 WeakPolarHBondContact O-CA 3.47Å; R293-S321 WeakPolarHBondContact O-CB 3.47Å; R293-S321 PolarHBondContact O-OG 2.91Å; R293-E322 HydrophobicContact CB-CG 3.88Å; R293-E322 HydrophobicContact CG-CG 4.4Å; R293-E322 IonicContact CZ-OE1 3.89Å; R293-E322 PolarHBondContact N-O 2.05Å; R293-E322 IonicContact NH1-OE1 2.93Å; R293-E322 PolarHBondContact NH1-OE1 2.97Å; R293-E322 PolarHBondContact O-N 2.9Å; R293-L324 HydrophobicContact CG-CD1 4.35Å; R293-L324 HydrophobicContact CG-CG 4.46Å
294	F	96.8	Very high	92.6	Very high	3 Å²	3	72 Å²	72	1%	0.013	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.6	177.8	-74.5	-94.7	0	0	0	110	L260 L275 W277 I300 F301 N303 I306 D320 S321	L260-F294 HydrophobicContact CD1-CE1 3.7Å; L260-F294 HydrophobicContact CD1-CZ 3.99Å; L275-F294 HydrophobicContact CB-CD1 4.34Å; L275-F294 HydrophobicContact CB-CE1 3.67Å; L275-F294 HydrophobicContact CB-CZ 4.26Å; L275-F294 HydrophobicContact CD1-CD1 4.25Å; L275-F294 HydrophobicContact CD1-CE1 4.12Å; W277-F294 AromaticContact CD1-CE2 3.74Å; W277-F294 AromaticContact CD1-CZ 3.43Å; W277-F294 VanDerWaalsContact CD1-CZ 3.43Å; W277-F294 HydrophobicContact CG-CZ 4.47Å; W277-F294 AromaticContact NE1-CZ 3.7Å; F294-I300 CarbonylContact O-C 3.57Å; F294-I300 VanDerWaalsContact O-CA 3.29Å; F294-I300 WeakPolarHBondContact O-CA 3.39Å; F294-F301 HydrophobicContact CB-CB 4.35Å; F294-F301 HydrophobicContact CB-CD2 4.35Å; F294-F301 PolarHBondContact N-O 3.35Å; F294-F301 PolarHBondContact O-N 3.34Å; F294-N303 WeakPolarHBondContact CD2-O 3.43Å; F294-N303 WeakPolarHBondContact CE2-O 3.29Å; F294-I306 HydrophobicContact CB-CD1 3.62Å; F294-I306 HydrophobicContact CB-CG1 4.33Å; F294-I306 HydrophobicContact CB-CG2 4.17Å; F294-I306 HydrophobicContact CD1-CD1 3.53Å; F294-I306 HydrophobicContact CD1-CG1 3.84Å; F294-I306 HydrophobicContact CD2-CD1 4.35Å; F294-I306 HydrophobicContact CD2-CG1 4.15Å; F294-I306 HydrophobicContact CD2-CG2 3.59Å; F294-I306 HydrophobicContact CE1-CD1 4.25Å; F294-I306 HydrophobicContact CE1-CG1 4.11Å; F294-I306 HydrophobicContact CE2-CG1 4.4Å; F294-I306 HydrophobicContact CE2-CG2 4.12Å; F294-I306 HydrophobicContact CG-CD1 3.59Å; F294-I306 HydrophobicContact CG-CG1 3.86Å; F294-I306 HydrophobicContact CG-CG2 3.93Å; F294-I306 HydrophobicContact CZ-CG1 4.38Å; F294-D320 CarbonylContact C-O 3.57Å; F294-D320 WeakPolarHBondContact CA-O 3.15Å; F294-S321 VanDerWaalsContact CD1-CB 3.49Å; F294-S321 WeakPolarHBondContact CD1-OG 3.5Å; F294-S321 WeakPolarHBondContact CE1-OG 3.25Å
295	Q	94.4	Very high	92.8	Very high	94 Å²	94	68.6 Å²	68.6	44%	0.439	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	114.4	168.5	-178.5	177.4	-9.8	0	0	109.2	G297 M299 I300 C319 D320	Q295-G297 VanDerWaalsContact CG-O 3.31Å; Q295-G297 WeakPolarHBondContact CG-O 3.45Å; Q295-G297 PolarHBondContact NE2-O 2.9Å; Q295-M299 CarbonylContact C-O 3.45Å; Q295-M299 WeakPolarHBondContact CA-O 3.37Å; Q295-I300 HydrophobicContact CG-CG1 4.29Å; Q295-C319 CarbonylContact O-C 3.55Å; Q295-C319 WeakPolarHBondContact O-CA 2.99Å; Q295-D320 PolarHBondContact N-O 2.91Å; Q295-D320 PolarHBondContact O-N 3.46Å
296	C	91.6	Very high	92.9	Very high	9 Å²	9	68.4 Å²	68.4	6%	0.061	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	102.7	174.2	-66	0	0	0	0	108.5	N298 M299 F301 L308 C319	C296-N298 PolarHBondContact O-N 2.84Å; C296-M299 PolarHBondContact N-O 2.9Å; C296-M299 PolarHBondContact O-N 3.33Å; C296-M299 VanDerWaalsContact O-N 3.09Å; C296-F301 HydrophobicContact CB-CE2 4.5Å; C296-L308 HydrophobicContact CB-CD1 4.34Å; C296-L308 HydrophobicContact CB-CD2 3.68Å; C296-C319 HydrophobicContact CB-CB 4.2Å; C296-C319 WeakPolarHBondContact CB-SG 3.28Å; C296-C319 WeakPolarHBondContact SG-CB 3.33Å; C296-C319 CovalentContact SG-SG 2.04Å; C296-C319 PolarHBondContact SG-SG 3.45Å
297	G	84.8	Confident	93.1	Very high	48 Å²	48	70.7 Å²	70.7	50%	0.495	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	-116.3	-167	0	0	0	0	0	111.4	Q295 K318	Q295-G297 VanDerWaalsContact CG-O 3.31Å; Q295-G297 WeakPolarHBondContact CG-O 3.45Å; Q295-G297 PolarHBondContact NE2-O 2.9Å; G297-K318 PolarHBondContact N-O 3.3Å
298	N	86.6	Confident	93.3	Very high	164 Å²	164	66.8 Å²	66.8	88%	0.877	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.9	179.1	-65.2	-10.5	0	0	0	113.8	C296	C296-N298 PolarHBondContact O-N 2.84Å
299	M	88.9	Confident	93.5	Very high	94 Å²	94	64.8 Å²	64.8	46%	0.463	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.8	-179.5	-65.9	-177.7	-74.7	0	0	110.7	Q295 C296 F301 L308	Q295-M299 CarbonylContact C-O 3.45Å; Q295-M299 WeakPolarHBondContact CA-O 3.37Å; C296-M299 PolarHBondContact N-O 2.9Å; C296-M299 PolarHBondContact O-N 3.33Å; C296-M299 VanDerWaalsContact O-N 3.09Å; M299-F301 HydrophobicContact CB-CE2 3.61Å; M299-F301 HydrophobicContact CB-CZ 3.66Å; M299-F301 HydrophobicContact CG-CZ 4.45Å; M299-F301 HydrophobicContact SD-CZ 4.12Å; M299-L308 HydrophobicContact CE-CD2 3.6Å; M299-L308 HydrophobicContact CE-CG 4.08Å
300	I	93.5	Very high	93.5	Very high	99 Å²	99	69.7 Å²	69.7	51%	0.508	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.6	178.1	-59.1	173.4	0	0	0	108.9	F294 Q295	F294-I300 CarbonylContact O-C 3.57Å; F294-I300 VanDerWaalsContact O-CA 3.29Å; F294-I300 WeakPolarHBondContact O-CA 3.39Å; Q295-I300 HydrophobicContact CG-CG1 4.29Å
301	F	94.8	Very high	93.4	Very high	59 Å²	59	70.1 Å²	70.1	26%	0.259	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	128.2	-179.6	-48	-92.5	0	0	0	110.6	R293 F294 C296 M299 I306 L308	R293-F301 CarbonylContact C-O 3.58Å; R293-F301 WeakPolarHBondContact CA-O 3.4Å; F294-F301 HydrophobicContact CB-CB 4.35Å; F294-F301 HydrophobicContact CB-CD2 4.35Å; F294-F301 PolarHBondContact N-O 3.35Å; F294-F301 PolarHBondContact O-N 3.34Å; C296-F301 HydrophobicContact CB-CE2 4.5Å; M299-F301 HydrophobicContact CB-CE2 3.61Å; M299-F301 HydrophobicContact CB-CZ 3.66Å; M299-F301 HydrophobicContact CG-CZ 4.45Å; M299-F301 HydrophobicContact SD-CZ 4.12Å; F301-I306 HydrophobicContact CB-CG2 3.58Å; F301-I306 HydrophobicContact CD2-CD1 4.06Å; F301-I306 HydrophobicContact CD2-CG2 4.41Å; F301-I306 HydrophobicContact CE2-CD1 4.39Å; F301-I306 HydrophobicContact CG-CB 4.49Å; F301-I306 HydrophobicContact CG-CG2 4.05Å; F301-L308 HydrophobicContact CE2-CD1 3.89Å; F301-L308 HydrophobicContact CE2-CG 4.43Å; F301-L308 HydrophobicContact CZ-CD1 4.03Å; F301-L308 HydrophobicContact CZ-CG 4.24Å
302	D	93.2	Very high	93.2	Very high	110 Å²	110	73.1 Å²	73.1	59%	0.588	37%	0.369	S	S	*	.			trans	-105.1	77	177	-58.1	-54.2	0	0	0	110.1	Y292 R293	Y292-D302 CarbonylContact O-C 3.51Å; Y292-D302 VanDerWaalsContact O-C 3.32Å; Y292-D302 VanDerWaalsContact O-CA 3.3Å; Y292-D302 WeakPolarHBondContact O-CA 3.48Å; R293-D302 VanDerWaalsContact CG-OD1 3.26Å; R293-D302 WeakPolarHBondContact CG-OD1 3.47Å; R293-D302 IonicContact CZ-OD1 2.7Å; R293-D302 IonicContact NE-OD1 3.97Å; R293-D302 PolarHBondContact NE-OD1 3.37Å; R293-D302 IonicContact NH2-OD1 3.81Å
303	N	94.2	Very high	93	Very high	99 Å²	99	74.4 Å²	74.4	53%	0.529	38%	0.379	S	S	.	.	S	Bend	trans	-153.4	156.9	177.4	-169.4	15.8	0	0	0	111.7	Y292 F294 E305	Y292-N303 PolarHBondContact O-N 3.1Å; F294-N303 WeakPolarHBondContact CD2-O 3.43Å; F294-N303 WeakPolarHBondContact CE2-O 3.29Å; N303-E305 VanDerWaalsContact C-N 3.31Å; N303-E305 PolarHBondContact ND2-O 3.13Å; N303-E305 PolarHBondContact O-N 3.27Å
304	K	94.2	Very high	92.8	Very high	70 Å²	70	74 Å²	74	30%	0.304	38%	0.38	S	S	.	.	S	Bend	trans	-70.2	-23.4	179.8	-171.6	167	-173.7	154.2	0	114.4	K276 W277 Y292	K276-K304 WeakPolarHBondContact CA-O 3.37Å; W277-K304 HydrophobicContact CB-CG 4.33Å; W277-K304 PolarHBondContact N-O 2.87Å; W277-K304 WeakPolarHBondContact O-CE 3.29Å; Y292-K304 HydrophobicContact CD1-CB 4.48Å; Y292-K304 HydrophobicContact CD1-CG 4.11Å; Y292-K304 HydrophobicContact CD2-CB 3.69Å; Y292-K304 HydrophobicContact CD2-CD 4.31Å; Y292-K304 HydrophobicContact CD2-CG 4Å; Y292-K304 HydrophobicContact CE1-CD 4.11Å; Y292-K304 HydrophobicContact CE1-CG 3.96Å; Y292-K304 HydrophobicContact CE2-CB 3.97Å; Y292-K304 HydrophobicContact CE2-CD 3.71Å; Y292-K304 HydrophobicContact CE2-CG 3.9Å; Y292-K304 HydrophobicContact CG-CB 4Å; Y292-K304 HydrophobicContact CG-CG 4.14Å; Y292-K304 WeakPolarHBondContact OH-CE 3.43Å; Y292-K304 PolarHBondContact OH-NZ 3.36Å
305	E	96.3	Very high	92.5	Very high	52 Å²	52	78.2 Å²	78.2	24%	0.243	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.8	174.5	-179.2	-179.5	136.5	0	0	109	L275 K276 N303 K307	L275-E305 CarbonylContact O-C 3.57Å; L275-E305 WeakPolarHBondContact O-CA 3.46Å; K276-E305 HydrophobicContact CB-CB 4.32Å; K276-E305 HydrophobicContact CB-CG 4.17Å; K276-E305 HydrophobicContact CD-CB 4.38Å; K276-E305 HydrophobicContact CD-CG 4.3Å; K276-E305 VanDerWaalsContact CD-OE2 3.27Å; K276-E305 WeakPolarHBondContact CD-OE2 3.18Å; K276-E305 VanDerWaalsContact CE-OE2 3.31Å; K276-E305 WeakPolarHBondContact CE-OE2 3.42Å; K276-E305 HydrophobicContact CG-CB 4.11Å; K276-E305 HydrophobicContact CG-CG 4.31Å; K276-E305 IonicContact NZ-OE2 3.02Å; K276-E305 PolarHBondContact NZ-OE2 2.76Å; N303-E305 VanDerWaalsContact C-N 3.31Å; N303-E305 PolarHBondContact ND2-O 3.13Å; N303-E305 PolarHBondContact O-N 3.27Å; E305-K307 VanDerWaalsContact OE1-CE 3.27Å; E305-K307 WeakPolarHBondContact OE1-CE 3.31Å; E305-K307 IonicContact OE1-NZ 2.86Å; E305-K307 PolarHBondContact OE1-NZ 3.45Å
306	I	96	Very high	92.5	Very high	7 Å²	7	80.3 Å²	80.3	4%	0.036	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.4	178	63	153.2	0	0	0	110.7	C274 L275 F294 F301 L308	C274-I306 WeakPolarHBondContact CA-O 3.49Å; L275-I306 HydrophobicContact CB-CD1 4.3Å; L275-I306 HydrophobicContact CB-CG1 3.83Å; L275-I306 HydrophobicContact CD1-CD1 4.42Å; L275-I306 PolarHBondContact N-O 2.93Å; L275-I306 PolarHBondContact O-N 3.49Å; F294-I306 HydrophobicContact CB-CD1 3.62Å; F294-I306 HydrophobicContact CB-CG1 4.33Å; F294-I306 HydrophobicContact CB-CG2 4.17Å; F294-I306 HydrophobicContact CD1-CD1 3.53Å; F294-I306 HydrophobicContact CD1-CG1 3.84Å; F294-I306 HydrophobicContact CD2-CD1 4.35Å; F294-I306 HydrophobicContact CD2-CG1 4.15Å; F294-I306 HydrophobicContact CD2-CG2 3.59Å; F294-I306 HydrophobicContact CE1-CD1 4.25Å; F294-I306 HydrophobicContact CE1-CG1 4.11Å; F294-I306 HydrophobicContact CE2-CG1 4.4Å; F294-I306 HydrophobicContact CE2-CG2 4.12Å; F294-I306 HydrophobicContact CG-CD1 3.59Å; F294-I306 HydrophobicContact CG-CG1 3.86Å; F294-I306 HydrophobicContact CG-CG2 3.93Å; F294-I306 HydrophobicContact CZ-CG1 4.38Å; F301-I306 HydrophobicContact CB-CG2 3.58Å; F301-I306 HydrophobicContact CD2-CD1 4.06Å; F301-I306 HydrophobicContact CD2-CG2 4.41Å; F301-I306 HydrophobicContact CE2-CD1 4.39Å; F301-I306 HydrophobicContact CG-CB 4.49Å; F301-I306 HydrophobicContact CG-CG2 4.05Å; I306-L308 HydrophobicContact CD1-CD1 3.87Å
307	K	95.5	Very high	92.5	Very high	121 Å²	121	82.7 Å²	82.7	53%	0.526	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	126	176.7	-75.5	168	174.9	141.6	0	109	I273 C274 E305	I273-K307 CarbonylContact O-C 3.55Å; I273-K307 WeakPolarHBondContact O-CA 3.48Å; C274-K307 HydrophobicContact CB-CG 4.04Å; C274-K307 VanDerWaalsContact SG-CE 3.58Å; E305-K307 VanDerWaalsContact OE1-CE 3.27Å; E305-K307 WeakPolarHBondContact OE1-CE 3.31Å; E305-K307 IonicContact OE1-NZ 2.86Å; E305-K307 PolarHBondContact OE1-NZ 3.45Å
308	L	94.3	Very high	93	Very high	8 Å²	8	85.6 Å²	85.6	4%	0.042	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.1	168.9	-74.8	69.8	0	0	0	107.4	T272 I273 C296 M299 F301 I306 L311	T272-L308 WeakPolarHBondContact CA-O 2.86Å; T272-L308 VanDerWaalsContact CB-O 3.26Å; T272-L308 WeakPolarHBondContact CB-O 3.09Å; I273-L308 HydrophobicContact CB-CB 4.43Å; I273-L308 PolarHBondContact N-O 3.31Å; I273-L308 PolarHBondContact O-N 2.57Å; C296-L308 HydrophobicContact CB-CD1 4.34Å; C296-L308 HydrophobicContact CB-CD2 3.68Å; M299-L308 HydrophobicContact CE-CD2 3.6Å; M299-L308 HydrophobicContact CE-CG 4.08Å; F301-L308 HydrophobicContact CE2-CD1 3.89Å; F301-L308 HydrophobicContact CE2-CG 4.43Å; F301-L308 HydrophobicContact CZ-CD1 4.03Å; F301-L308 HydrophobicContact CZ-CG 4.24Å; I306-L308 HydrophobicContact CD1-CD1 3.87Å; L308-L311 HydrophobicContact CB-CD1 4.04Å; L308-L311 HydrophobicContact CB-CD2 4.2Å; L308-L311 HydrophobicContact CB-CG 4.28Å; L308-L311 HydrophobicContact CD2-CD2 4.21Å
309	E	93.8	Very high	93.4	Very high	107 Å²	107	77.8 Å²	77.8	50%	0.5	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	163.1	176	-55.9	-160.5	133.8	0	0	110.4	K268 T271 T272 L311	K268-E309 IonicContact NZ-OE1 2.79Å; K268-E309 PolarHBondContact NZ-OE1 3.01Å; T271-E309 CarbonylContact O-C 3.5Å; T271-E309 WeakPolarHBondContact O-CA 3.19Å; T272-E309 HydrophobicContact CG2-CB 4.11Å; T272-E309 HydrophobicContact CG2-CG 3.82Å; E309-L311 VanDerWaalsContact C-N 3.3Å
310	N	92.4	Very high	93.8	Very high	153 Å²	153	75.7 Å²	75.7	82%	0.818	37%	0.366	S	S	*	.	S	Bend	trans	62.8	32.8	-175.5	-45.6	-75	0	0	0	113.8	T271	T271-N310 PolarHBondContact O-N 2.81Å
311	L	93.1	Very high	93.9	Very high	19 Å²	19	71.3 Å²	71.3	10%	0.099	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-73	157.1	170.7	-58.6	179.4	0	0	0	111.2	T271 I273 L308 E309 Y317 T339	T271-L311 PolarHBondContact O-N 3.11Å; I273-L311 HydrophobicContact CB-CD1 3.93Å; I273-L311 HydrophobicContact CD1-CD1 3.56Å; I273-L311 HydrophobicContact CG1-CD1 3.54Å; L308-L311 HydrophobicContact CB-CD1 4.04Å; L308-L311 HydrophobicContact CB-CD2 4.2Å; L308-L311 HydrophobicContact CB-CG 4.28Å; L308-L311 HydrophobicContact CD2-CD2 4.21Å; E309-L311 VanDerWaalsContact C-N 3.3Å; L311-Y317 HydrophobicContact CB-CE2 3.99Å; L311-Y317 HydrophobicContact CD1-CD2 4.28Å; L311-Y317 HydrophobicContact CD1-CE2 4.16Å; L311-Y317 HydrophobicContact CD2-CE1 4.03Å; L311-Y317 HydrophobicContact CD2-CE2 4.35Å; L311-Y317 HydrophobicContact CG-CE2 4.4Å; L311-T339 HydrophobicContact CB-CG2 4.04Å; L311-T339 HydrophobicContact CD1-CG2 4.13Å
312	E	91.1	Very high	94	Very high	119 Å²	119	70.5 Å²	70.5	56%	0.556	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-79.6	133.5	175.4	-63.1	-167.2	132.7	0	0	110.1	H315 Y317 T339	E312-H315 HydrophobicContact CB-CB 4.48Å; E312-H315 IonicContact OE2-CE1 2.74Å; E312-H315 IonicContact OE2-NE2 2.69Å; E312-Y317 PolarHBondContact N-OH 3.24Å; E312-T339 PolarHBondContact O-OG1 2.93Å
313	P	92.4	Very high	94.1	Very high	44 Å²	44	65.2 Å²	65.2	29%	0.286	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	156.7	174.8	-24	34.2	0	0	0	113.4	D270 T271 H315 D340	D270-P313 HydrophobicContact CB-CB 4.29Å; D270-P313 HydrophobicContact CB-CG 4.29Å; D270-P313 VanDerWaalsContact O-CA 3.25Å; D270-P313 WeakPolarHBondContact O-CA 3.35Å; D270-P313 WeakPolarHBondContact O-CG 3.31Å; T271-P313 HydrophobicContact CG2-CG 4.43Å; P313-H315 PolarHBondContact O-N 2.68Å; P313-H315 VanDerWaalsContact O-N 3.09Å; P313-H315 PolarHBondContact O-ND1 3.36Å; P313-D340 WeakPolarHBondContact CB-O 3.27Å
314	E	90	Very high	94.1	Very high	74 Å²	74	61.4 Å²	61.4	35%	0.346	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	12.1	-178.5	-52.8	-172.2	58.7	0	0	116.3	K338 T339 D340 F341 S370	E314-K338 VanDerWaalsContact C-CE 3.46Å; E314-K338 WeakPolarHBondContact O-CE 3.34Å; E314-T339 WeakPolarHBondContact CA-O 3.27Å; E314-T339 PolarHBondContact N-O 2.81Å; E314-T339 PolarHBondContact N-OG1 2.66Å; E314-D340 PolarHBondContact N-O 2.62Å; E314-D340 VanDerWaalsContact N-O 3.14Å; E314-F341 HydrophobicContact CG-CD1 3.8Å; E314-F341 HydrophobicContact CG-CE1 4.31Å; E314-F341 HydrophobicContact CG-CG 4.38Å; E314-F341 WeakPolarHBondContact OE1-CD1 3.49Å; E314-F341 VanDerWaalsContact OE1-CE1 3.31Å; E314-F341 WeakPolarHBondContact OE1-CE1 3.08Å; E314-F341 WeakPolarHBondContact OE2-CD1 3.47Å; E314-S370 PolarHBondContact OE2-OG 2.67Å
315	H	91.8	Very high	94.1	Very high	93 Å²	93	58.6 Å²	58.6	43%	0.431	28%	0.28	S	S	.	.			trans	-99.2	154.5	-179.6	-77.1	75.8	0	0	0	113.1	E312 P313 Y317 K338 T339	E312-H315 HydrophobicContact CB-CB 4.48Å; E312-H315 IonicContact OE2-CE1 2.74Å; E312-H315 IonicContact OE2-NE2 2.69Å; P313-H315 PolarHBondContact O-N 2.68Å; P313-H315 VanDerWaalsContact O-N 3.09Å; P313-H315 PolarHBondContact O-ND1 3.36Å; H315-Y317 HydrophobicContact CB-CE2 3.82Å; H315-K338 CarbonylContact O-C 3.53Å; H315-K338 VanDerWaalsContact O-CA 3.29Å; H315-K338 WeakPolarHBondContact O-CA 3.49Å; H315-K338 WeakPolarHBondContact O-CG 3.28Å; H315-T339 PolarHBondContact N-OG1 3.05Å; H315-T339 PolarHBondContact O-N 2.81Å; H315-T339 PolarHBondContact O-OG1 2.83Å; H315-T339 VanDerWaalsContact O-OG1 3.1Å
316	E	93.8	Very high	93.8	Very high	137 Å²	137	59.1 Å²	59.1	64%	0.64	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.4	179.7	-172.4	171.9	110.5	0	0	111.7	I336	E316-I336 HydrophobicContact CG-CG2 3.39Å; E316-I336 WeakPolarHBondContact OE1-CG2 3.49Å
317	Y	92.7	Very high	93.4	Very high	60 Å²	60	64.8 Å²	64.8	24%	0.235	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.1	-179.6	-62.4	-85.8	0	0	0	110.4	I273 L311 E312 H315 I336 I337 T339	I273-Y317 HydrophobicContact CD1-CD2 3.85Å; I273-Y317 HydrophobicContact CD1-CG 4.04Å; L311-Y317 HydrophobicContact CB-CE2 3.99Å; L311-Y317 HydrophobicContact CD1-CD2 4.28Å; L311-Y317 HydrophobicContact CD1-CE2 4.16Å; L311-Y317 HydrophobicContact CD2-CE1 4.03Å; L311-Y317 HydrophobicContact CD2-CE2 4.35Å; L311-Y317 HydrophobicContact CG-CE2 4.4Å; E312-Y317 PolarHBondContact N-OH 3.24Å; H315-Y317 HydrophobicContact CB-CE2 3.82Å; Y317-I336 WeakPolarHBondContact O-CA 3.35Å; Y317-I337 PolarHBondContact N-O 3.43Å; Y317-I337 PolarHBondContact O-N 3.45Å; Y317-T339 HydrophobicContact CD2-CG2 4.15Å; Y317-T339 HydrophobicContact CE2-CG2 3.85Å
318	K	94.5	Very high	93.1	Very high	108 Å²	108	62.1 Å²	62.1	47%	0.47	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.9	169.8	-177.6	169.6	-179.2	-82.5	0	109.6	G297 D320 I336	G297-K318 PolarHBondContact N-O 3.3Å; K318-D320 WeakPolarHBondContact CE-OD1 3.25Å; K318-D320 IonicContact NZ-OD1 2.65Å; K318-D320 PolarHBondContact NZ-OD1 3.41Å; K318-D320 IonicContact NZ-OD2 2.82Å; K318-D320 PolarHBondContact NZ-OD2 2.9Å; K318-I336 HydrophobicContact CG-CG1 4.42Å
319	C	95.7	Very high	93	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.4	170.8	-70.3	0	0	0	0	109.4	L275 Q295 C296 S334 K335	L275-C319 HydrophobicContact CD1-CB 3.4Å; Q295-C319 CarbonylContact O-C 3.55Å; Q295-C319 WeakPolarHBondContact O-CA 2.99Å; C296-C319 HydrophobicContact CB-CB 4.2Å; C296-C319 WeakPolarHBondContact CB-SG 3.28Å; C296-C319 WeakPolarHBondContact SG-CB 3.33Å; C296-C319 CovalentContact SG-SG 2.04Å; C296-C319 PolarHBondContact SG-SG 3.45Å; C319-S334 WeakPolarHBondContact O-CA 3.31Å; C319-K335 PolarHBondContact N-O 2.93Å; C319-K335 PolarHBondContact O-N 3.3Å
320	D	96	Very high	92.9	Very high	49 Å²	49	61.8 Å²	61.8	26%	0.262	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	150.1	170.5	-62.6	-61.9	0	0	0	109.7	F294 Q295 K318 S334	F294-D320 CarbonylContact C-O 3.57Å; F294-D320 WeakPolarHBondContact CA-O 3.15Å; Q295-D320 PolarHBondContact N-O 2.91Å; Q295-D320 PolarHBondContact O-N 3.46Å; K318-D320 WeakPolarHBondContact CE-OD1 3.25Å; K318-D320 IonicContact NZ-OD1 2.65Å; K318-D320 PolarHBondContact NZ-OD1 3.41Å; K318-D320 IonicContact NZ-OD2 2.82Å; K318-D320 PolarHBondContact NZ-OD2 2.9Å; D320-S334 WeakPolarHBondContact OD1-CB 3.12Å; D320-S334 PolarHBondContact OD1-OG 3.44Å
321	S	97	Very high	93	Very high	8 Å²	8	55.3 Å²	55.3	6%	0.056	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	143.9	179.5	-174.9	0	0	0	0	112.3	W277 R293 F294 N332 A333	W277-S321 PolarHBondContact NE1-OG 2.81Å; R293-S321 CarbonylContact O-C 3.47Å; R293-S321 WeakPolarHBondContact O-CA 3.47Å; R293-S321 WeakPolarHBondContact O-CB 3.47Å; R293-S321 PolarHBondContact O-OG 2.91Å; F294-S321 VanDerWaalsContact CD1-CB 3.49Å; F294-S321 WeakPolarHBondContact CD1-OG 3.5Å; F294-S321 WeakPolarHBondContact CE1-OG 3.25Å; S321-N332 CarbonylContact O-C 3.41Å; S321-N332 WeakPolarHBondContact O-CA 3.13Å; S321-N332 VanDerWaalsContact O-CB 3.24Å; S321-N332 WeakPolarHBondContact O-CB 3.46Å; S321-A333 PolarHBondContact N-O 3.01Å; S321-A333 PolarHBondContact O-N 3.42Å; S321-A333 VanDerWaalsContact O-O 3.1Å
322	E	95.6	Very high	93.1	Very high	41 Å²	41	59.2 Å²	59.2	19%	0.192	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.4	177.2	57	-176.8	-157.9	0	0	111.1	R293 L324 K329 T331 N332	R293-E322 HydrophobicContact CB-CG 3.88Å; R293-E322 HydrophobicContact CG-CG 4.4Å; R293-E322 IonicContact CZ-OE1 3.89Å; R293-E322 PolarHBondContact N-O 2.05Å; R293-E322 IonicContact NH1-OE1 2.93Å; R293-E322 PolarHBondContact NH1-OE1 2.97Å; R293-E322 PolarHBondContact O-N 2.9Å; E322-L324 HydrophobicContact CG-CD2 4.39Å; E322-K329 HydrophobicContact CB-CD 3.61Å; E322-K329 HydrophobicContact CB-CG 4.34Å; E322-K329 HydrophobicContact CG-CD 4.3Å; E322-K329 WeakPolarHBondContact OE2-CD 3.37Å; E322-K329 IonicContact OE2-NZ 3.75Å; E322-K329 PolarHBondContact OE2-NZ 3.37Å; E322-T331 WeakPolarHBondContact CA-O 3.5Å; E322-N332 HydrophobicContact CB-CB 3.93Å
323	I	95.5	Very high	93.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.3	173.1	-42.1	-180	0	0	0	108.2	F258 W277 I290 T291 Y292 F330 T331	F258-I323 HydrophobicContact CB-CD1 3.6Å; F258-I323 HydrophobicContact CD1-CD1 3.64Å; F258-I323 HydrophobicContact CD2-CD1 4.29Å; F258-I323 HydrophobicContact CE1-CD1 4.4Å; F258-I323 HydrophobicContact CG-CD1 3.57Å; W277-I323 HydrophobicContact CD2-CD1 3.63Å; W277-I323 HydrophobicContact CD2-CG1 4.06Å; W277-I323 HydrophobicContact CE3-CD1 3.71Å; W277-I323 HydrophobicContact CG-CD1 4.09Å; W277-I323 HydrophobicContact CG-CG1 4.42Å; W277-I323 HydrophobicContact CH2-CD1 4.17Å; W277-I323 HydrophobicContact CH2-CG1 4.43Å; W277-I323 HydrophobicContact CZ2-CD1 4.14Å; W277-I323 HydrophobicContact CZ2-CG1 3.99Å; W277-I323 HydrophobicContact CZ3-CD1 3.97Å; I290-I323 HydrophobicContact CG2-CG2 3.45Å; I290-I323 VanDerWaalsContact CG2-CG2 3.45Å; T291-I323 WeakPolarHBondContact O-CA 3.45Å; T291-I323 WeakPolarHBondContact O-CG2 3.35Å; Y292-I323 HydrophobicContact CD1-CD1 4.08Å; Y292-I323 HydrophobicContact CD1-CG1 3.99Å; Y292-I323 HydrophobicContact CD1-CG2 3.9Å; Y292-I323 HydrophobicContact CE1-CD1 4.03Å; Y292-I323 HydrophobicContact CE1-CG1 4.39Å; Y292-I323 HydrophobicContact CE1-CG2 3.94Å; Y292-I323 HydrophobicContact CG-CG2 4.45Å; I323-F330 HydrophobicContact CB-CE1 3.96Å; I323-F330 HydrophobicContact CB-CZ 4.15Å; I323-F330 HydrophobicContact CG2-CE1 3.69Å; I323-F330 HydrophobicContact CG2-CZ 3.89Å; I323-F330 WeakPolarHBondContact O-CD1 3.38Å; I323-F330 PolarHBondContact O-N 2.87Å; I323-T331 HydrophobicContact CB-CG2 3.71Å; I323-T331 HydrophobicContact CD1-CG2 3.64Å; I323-T331 HydrophobicContact CG1-CG2 3.73Å; I323-T331 PolarHBondContact N-O 3.19Å
324	L	93.8	Very high	93.4	Very high	19 Å²	19	56 Å²	56	10%	0.099	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	148.2	176.5	-41.7	-178.6	0	0	0	109.8	I290 T291 R293 E322 H328 K329	I290-L324 WeakPolarHBondContact CA-O 3.4Å; T291-L324 PolarHBondContact N-O 2.75Å; T291-L324 PolarHBondContact O-N 2.82Å; R293-L324 HydrophobicContact CG-CD1 4.35Å; R293-L324 HydrophobicContact CG-CG 4.46Å; E322-L324 HydrophobicContact CG-CD2 4.39Å; L324-H328 CarbonylContact C-O 3.58Å; L324-H328 VanDerWaalsContact CA-O 3.25Å; L324-H328 WeakPolarHBondContact CA-O 3.14Å; L324-K329 HydrophobicContact CD2-CB 3.61Å; L324-K329 HydrophobicContact CD2-CG 4.25Å
325	Y	94.5	Very high	93.6	Very high	11 Å²	11	55.5 Å²	55.5	4%	0.043	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.4	167.5	-178.9	-117.2	0	0	0	107.7	D250 P252 C285 N289 I290 N327 H328	D250-Y325 HydrophobicContact CB-CE1 4.41Å; D250-Y325 VanDerWaalsContact OD1-CE1 3.28Å; D250-Y325 WeakPolarHBondContact OD1-CE1 3.15Å; D250-Y325 PolarHBondContact OD1-OH 3.04Å; D250-Y325 PolarHBondContact OD2-OH 2.77Å; P252-Y325 HydrophobicContact CB-CD1 3.72Å; P252-Y325 HydrophobicContact CB-CE1 4.5Å; P252-Y325 HydrophobicContact CB-CG 4.04Å; C285-Y325 HydrophobicContact CB-CE2 3.96Å; N289-Y325 HydrophobicContact CB-CD2 3.86Å; N289-Y325 HydrophobicContact CB-CE2 3.62Å; N289-Y325 WeakPolarHBondContact O-CA 3.4Å; I290-Y325 HydrophobicContact CG1-CD2 3.73Å; I290-Y325 HydrophobicContact CG1-CE2 4.31Å; Y325-N327 PolarHBondContact O-N 2.95Å; Y325-H328 PolarHBondContact N-O 2.99Å; Y325-H328 WeakPolarHBondContact O-CB 3.06Å; Y325-H328 PolarHBondContact O-N 3.24Å
326	N	90.5	Very high	93.7	Very high	63 Å²	63	55.6 Å²	55.6	34%	0.337	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	34.4	-169.7	-61	-37.4	0	0	0	113	D250 N289 H328	D250-N326 PolarHBondContact OD2-ND2 3.07Å; N289-N326 WeakPolarHBondContact CB-OD1 3.02Å; N289-N326 PolarHBondContact ND2-OD1 2.85Å; N289-N326 PolarHBondContact O-N 3.01Å; N326-H328 PolarHBondContact O-CD2 3.49Å; N326-H328 PolarHBondContact O-N 2.89Å
327	N	87.8	Confident	93.7	Very high	126 Å²	126	49.7 Å²	49.7	67%	0.674	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	0.5	-170	-57.2	-28.3	0	0	0	116.8	Y325	Y325-N327 PolarHBondContact O-N 2.95Å
328	H	88.4	Confident	93.7	Very high	64 Å²	64	52.3 Å²	52.3	30%	0.296	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.1	172.2	-74.3	-101.9	0	0	0	111.4	V189 L324 Y325 N326	V189-H328 PolarHBondContact O-CE1 3.08Å; V189-H328 PolarHBondContact O-ND1 3.32Å; L324-H328 CarbonylContact C-O 3.58Å; L324-H328 VanDerWaalsContact CA-O 3.25Å; L324-H328 WeakPolarHBondContact CA-O 3.14Å; Y325-H328 PolarHBondContact N-O 2.99Å; Y325-H328 WeakPolarHBondContact O-CB 3.06Å; Y325-H328 PolarHBondContact O-N 3.24Å; N326-H328 PolarHBondContact O-CD2 3.49Å; N326-H328 PolarHBondContact O-N 2.89Å
329	K	92.5	Very high	93.7	Very high	93 Å²	93	47.3 Å²	47.3	40%	0.404	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.5	178	-179.7	165.1	63.5	-168.7	0	111.3	E322 L324 N332	E322-K329 HydrophobicContact CB-CD 3.61Å; E322-K329 HydrophobicContact CB-CG 4.34Å; E322-K329 HydrophobicContact CG-CD 4.3Å; E322-K329 WeakPolarHBondContact OE2-CD 3.37Å; E322-K329 IonicContact OE2-NZ 3.75Å; E322-K329 PolarHBondContact OE2-NZ 3.37Å; L324-K329 HydrophobicContact CD2-CB 3.61Å; L324-K329 HydrophobicContact CD2-CG 4.25Å; K329-N332 HydrophobicContact CD-CB 4.44Å
330	F	92.1	Very high	93.6	Very high	15 Å²	15	48 Å²	48	7%	0.066	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	-13.7	174.1	73.2	-80.9	0	0	0	113.8	P252 P253 V255 F258 I323	P252-F330 HydrophobicContact CB-CB 3.97Å; P252-F330 HydrophobicContact CB-CD1 4.03Å; P252-F330 HydrophobicContact CB-CD2 3.97Å; P252-F330 HydrophobicContact CB-CE2 4.5Å; P252-F330 HydrophobicContact CB-CG 3.72Å; P252-F330 HydrophobicContact CG-CB 3.78Å; P252-F330 HydrophobicContact CG-CD2 4.48Å; P252-F330 HydrophobicContact CG-CG 4.11Å; P253-F330 HydrophobicContact CG-CZ 4.39Å; P253-F330 WeakPolarHBondContact O-CE2 3.17Å; V255-F330 HydrophobicContact CG2-CD2 4.09Å; V255-F330 WeakPolarHBondContact CG2-O 3.39Å; F258-F330 AromaticContact CD2-CE2 3.93Å; F258-F330 HydrophobicContact CD2-CE2 3.93Å; F258-F330 HydrophobicContact CD2-CZ 4.08Å; F258-F330 AromaticContact CE2-CE2 3.65Å; F258-F330 HydrophobicContact CE2-CE2 3.65Å; F258-F330 AromaticContact CE2-CZ 3.6Å; F258-F330 HydrophobicContact CE2-CZ 3.6Å; F258-F330 HydrophobicContact CZ-CZ 4.05Å; I323-F330 HydrophobicContact CB-CE1 3.96Å; I323-F330 HydrophobicContact CB-CZ 4.15Å; I323-F330 HydrophobicContact CG2-CE1 3.69Å; I323-F330 HydrophobicContact CG2-CZ 3.89Å; I323-F330 WeakPolarHBondContact O-CD1 3.38Å; I323-F330 PolarHBondContact O-N 2.87Å
331	T	94.1	Very high	93.5	Very high	17 Å²	17	49.1 Å²	49.1	10%	0.104	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	155.2	174.2	-178.6	0	0	0	0	112.6	E322 I323	E322-T331 WeakPolarHBondContact CA-O 3.5Å; I323-T331 HydrophobicContact CB-CG2 3.71Å; I323-T331 HydrophobicContact CD1-CG2 3.64Å; I323-T331 HydrophobicContact CG1-CG2 3.73Å; I323-T331 PolarHBondContact N-O 3.19Å
332	N	94.6	Very high	93.2	Very high	101 Å²	101	49.3 Å²	49.3	54%	0.54	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157.3	171.7	68.8	-89.6	0	0	0	111.6	S321 E322 K329	S321-N332 CarbonylContact O-C 3.41Å; S321-N332 WeakPolarHBondContact O-CA 3.13Å; S321-N332 VanDerWaalsContact O-CB 3.24Å; S321-N332 WeakPolarHBondContact O-CB 3.46Å; E322-N332 HydrophobicContact CB-CB 3.93Å; K329-N332 HydrophobicContact CD-CB 4.44Å
333	A	95.1	Very high	93	Very high	27 Å²	27	49.7 Å²	49.7	22%	0.223	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	154.2	173.9	0	0	0	0	0	110.8	L260 W277 S321	L260-A333 HydrophobicContact CB-CB 4.13Å; L260-A333 HydrophobicContact CD2-CB 3.89Å; W277-A333 HydrophobicContact CH2-CB 3.59Å; W277-A333 HydrophobicContact CZ2-CB 3.86Å; S321-A333 PolarHBondContact N-O 3.01Å; S321-A333 PolarHBondContact O-N 3.42Å; S321-A333 VanDerWaalsContact O-O 3.1Å
334	S	94.8	Very high	92.9	Very high	69 Å²	69	49.9 Å²	49.9	48%	0.483	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.8	175.5	-56.5	0	0	0	0	109	C319 D320	C319-S334 WeakPolarHBondContact O-CA 3.31Å; D320-S334 WeakPolarHBondContact OD1-CB 3.12Å; D320-S334 PolarHBondContact OD1-OG 3.44Å
335	K	94.5	Very high	92.8	Very high	63 Å²	63	49.9 Å²	49.9	27%	0.274	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.3	171.7	-162.1	168.7	-173.3	-68.7	0	110.7	L260 D262 L275 C319 I337	L260-K335 HydrophobicContact CD2-CB 4.16Å; D262-K335 HydrophobicContact CB-CD 4.43Å; D262-K335 IonicContact OD2-NZ 2.6Å; D262-K335 PolarHBondContact OD2-NZ 2.96Å; L275-K335 HydrophobicContact CD2-CB 4.42Å; L275-K335 HydrophobicContact CD2-CD 3.9Å; C319-K335 PolarHBondContact N-O 2.93Å; C319-K335 PolarHBondContact O-N 3.3Å; K335-I337 HydrophobicContact CD-CD1 4.24Å; K335-I337 HydrophobicContact CD-CG1 4.31Å; K335-I337 HydrophobicContact CG-CD1 4.37Å; K335-I337 HydrophobicContact CG-CG1 4.04Å
336	I	94.4	Very high	92.8	Very high	95 Å²	95	54.1 Å²	54.1	49%	0.487	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.3	168.2	-61.3	176.2	0	0	0	107.2	E316 Y317 K318	E316-I336 HydrophobicContact CG-CG2 3.39Å; E316-I336 WeakPolarHBondContact OE1-CG2 3.49Å; Y317-I336 WeakPolarHBondContact O-CA 3.35Å; K318-I336 HydrophobicContact CG-CG1 4.42Å
337	I	93.3	Very high	93.1	Very high	14 Å²	14	51.1 Å²	51.1	7%	0.072	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	126.8	178.5	-60.2	175.3	0	0	0	108.7	D262 I273 L275 Y317 K335	D262-I337 VanDerWaalsContact OD2-CD1 3.28Å; D262-I337 WeakPolarHBondContact OD2-CD1 3.14Å; I273-I337 HydrophobicContact CD1-CB 3.92Å; I273-I337 HydrophobicContact CD1-CG2 3.92Å; I273-I337 HydrophobicContact CG1-CB 4.34Å; I273-I337 HydrophobicContact CG1-CG2 3.89Å; I273-I337 HydrophobicContact CG2-CD1 3.65Å; L275-I337 HydrophobicContact CD2-CD1 3.74Å; L275-I337 HydrophobicContact CG-CD1 4.19Å; Y317-I337 PolarHBondContact N-O 3.43Å; Y317-I337 PolarHBondContact O-N 3.45Å; K335-I337 HydrophobicContact CD-CD1 4.24Å; K335-I337 HydrophobicContact CD-CG1 4.31Å; K335-I337 HydrophobicContact CG-CD1 4.37Å; K335-I337 HydrophobicContact CG-CG1 4.04Å
338	K	93.3	Very high	93.6	Very high	114 Å²	114	51.3 Å²	51.3	50%	0.496	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.2	168.1	-164.3	-174.6	177.8	-178	0	110	E314 H315	E314-K338 VanDerWaalsContact C-CE 3.46Å; E314-K338 WeakPolarHBondContact O-CE 3.34Å; H315-K338 CarbonylContact O-C 3.53Å; H315-K338 VanDerWaalsContact O-CA 3.29Å; H315-K338 WeakPolarHBondContact O-CA 3.49Å; H315-K338 WeakPolarHBondContact O-CG 3.28Å
339	T	93.5	Very high	94	Very high	4 Å²	4	50 Å²	50	3%	0.025	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-67	146.5	169.5	46.8	0	0	0	0	110.6	A269 D270 L311 E312 E314 H315 Y317	A269-T339 CarbonylContact O-C 3.57Å; A269-T339 WeakPolarHBondContact O-CA 3.28Å; D270-T339 WeakPolarHBondContact O-CB 3.38Å; L311-T339 HydrophobicContact CB-CG2 4.04Å; L311-T339 HydrophobicContact CD1-CG2 4.13Å; E312-T339 PolarHBondContact O-OG1 2.93Å; E314-T339 WeakPolarHBondContact CA-O 3.27Å; E314-T339 PolarHBondContact N-O 2.81Å; E314-T339 PolarHBondContact N-OG1 2.66Å; H315-T339 PolarHBondContact N-OG1 3.05Å; H315-T339 PolarHBondContact O-N 2.81Å; H315-T339 PolarHBondContact O-OG1 2.83Å; H315-T339 VanDerWaalsContact O-OG1 3.1Å; Y317-T339 HydrophobicContact CD2-CG2 4.15Å; Y317-T339 HydrophobicContact CE2-CG2 3.85Å
340	D	94.4	Very high	94.3	Very high	16 Å²	16	50 Å²	50	9%	0.086	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-71.2	172.6	-179.8	-160.5	19.1	0	0	0	111.8	A269 D270 P313 E314 G342 A417 K418	A269-D340 HydrophobicContact CB-CB 4.01Å; A269-D340 PolarHBondContact O-N 2.94Å; D270-D340 HydrophobicContact CB-CB 4.39Å; P313-D340 WeakPolarHBondContact CB-O 3.27Å; E314-D340 PolarHBondContact N-O 2.62Å; E314-D340 VanDerWaalsContact N-O 3.14Å; D340-G342 PolarHBondContact O-N 3.16Å; D340-A417 VanDerWaalsContact OD2-CB 3.29Å; D340-A417 WeakPolarHBondContact OD2-CB 3.43Å; D340-K418 HydrophobicContact CB-CD 4.32Å; D340-K418 VanDerWaalsContact OD2-CB 3.24Å; D340-K418 WeakPolarHBondContact OD2-CB 3.3Å; D340-K418 WeakPolarHBondContact OD2-CG 3.41Å; D340-K418 PolarHBondContact OD2-N 2.95Å
341	F	93.8	Very high	94.5	Very high	72 Å²	72	53 Å²	53	32%	0.316	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-62.1	133.3	173	-60.9	-86.9	0	0	0	111	D270 E314 I415 A417 R421	D270-F341 WeakPolarHBondContact CB-O 3.34Å; E314-F341 HydrophobicContact CG-CD1 3.8Å; E314-F341 HydrophobicContact CG-CE1 4.31Å; E314-F341 HydrophobicContact CG-CG 4.38Å; E314-F341 WeakPolarHBondContact OE1-CD1 3.49Å; E314-F341 VanDerWaalsContact OE1-CE1 3.31Å; E314-F341 WeakPolarHBondContact OE1-CE1 3.08Å; E314-F341 WeakPolarHBondContact OE2-CD1 3.47Å; F341-I415 HydrophobicContact CB-CD1 3.94Å; F341-I415 HydrophobicContact CB-CG2 4.41Å; F341-I415 HydrophobicContact CD1-CD1 3.76Å; F341-I415 HydrophobicContact CE1-CD1 4.46Å; F341-I415 HydrophobicContact CG-CD1 3.87Å; F341-A417 HydrophobicContact CB-CB 3.94Å; F341-A417 HydrophobicContact CD2-CB 4.06Å; F341-A417 HydrophobicContact CG-CB 4.48Å; F341-R421 WeakPolarHBondContact O-CD 3.47Å; F341-R421 PolarHBondContact O-NE 2.76Å
342	G	91.3	Very high	94.7	Very high	11 Å²	11	53 Å²	53	11%	0.113	28%	0.28	C	S	.	.			trans	-87.6	177.1	176.6	0	0	0	0	0	113.3	D340	D340-G342 PolarHBondContact O-N 3.16Å
343	S	92	Very high	94.8	Very high	49 Å²	49	53.1 Å²	53.1	34%	0.343	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-60.6	131.8	177.1	-68.8	0	0	0	0	112.6	R369 N422	S343-R369 WeakPolarHBondContact O-CD 3.48Å; S343-R369 PolarHBondContact O-NH1 2.64Å; S343-N422 WeakPolarHBondContact CB-O 3.2Å; S343-N422 PolarHBondContact OG-O 2.88Å
344	P	93.3	Very high	94.9	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.032	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-57.2	163.4	173.7	-29.2	37.2	0	0	0	114.2	F371 A413 I415 G423	P344-F371 HydrophobicContact CB-CB 4.09Å; P344-F371 HydrophobicContact CG-CB 4.05Å; P344-A413 HydrophobicContact CB-CB 3.79Å; P344-A413 HydrophobicContact CG-CB 4.47Å; P344-I415 HydrophobicContact CG-CB 4.02Å; P344-I415 HydrophobicContact CG-CG2 3.92Å; P344-G423 WeakPolarHBondContact O-CA 3.35Å
345	G	90.9	Very high	94.8	Very high	18 Å²	18	55.3 Å²	55.3	19%	0.186	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-74.5	172.1	172.4	0	0	0	0	0	113.1	P367	G345-P367 VanDerWaalsContact C-CB 3.44Å; G345-P367 WeakPolarHBondContact O-CB 3.24Å
346	E	95	Very high	94.8	Very high	101 Å²	101	54.2 Å²	54.2	47%	0.472	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-79.2	133.7	174.8	-170.2	158.2	-86.5	0	0	111.6	S424 A425 A426	E346-S424 WeakPolarHBondContact OE1-CB 3.26Å; E346-S424 PolarHBondContact OE1-OG 2.88Å; E346-A425 PolarHBondContact OE1-N 3.42Å; E346-A426 HydrophobicContact CG-CB 3.82Å
347	P	97.1	Very high	94.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-74.7	129.7	172.7	-12.8	29.6	0	0	0	111	I349 N365 F374 L411 A413 A426	P347-I349 PolarHBondContact O-N 3.46Å; P347-N365 CarbonylContact C-O 3.59Å; P347-N365 WeakPolarHBondContact CA-O 3.47Å; P347-F374 HydrophobicContact CB-CE1 4.04Å; P347-F374 HydrophobicContact CG-CD1 3.93Å; P347-F374 HydrophobicContact CG-CE1 3.78Å; P347-L411 HydrophobicContact CB-CD2 3.99Å; P347-L411 HydrophobicContact CB-CG 4.33Å; P347-L411 HydrophobicContact CG-CD2 4.41Å; P347-L411 HydrophobicContact CG-CG 4.21Å; P347-A413 HydrophobicContact CG-CB 4.48Å; P347-A426 WeakPolarHBondContact O-CB 3.42Å
348	Q	97.4	Very high	95	Very high	130 Å²	130	54.4 Å²	54.4	61%	0.607	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	106.2	-177.4	-175	-164.9	17.7	0	0	111	I350 W364 N365	Q348-I350 PolarHBondContact O-N 3.49Å; Q348-W364 CarbonylContact O-C 3.32Å; Q348-W364 WeakPolarHBondContact O-CA 3.47Å; Q348-W364 WeakPolarHBondContact O-CB 3.24Å; Q348-N365 HydrophobicContact CB-CB 4.27Å; Q348-N365 PolarHBondContact N-O 2.88Å; Q348-N365 PolarHBondContact O-N 2.91Å; Q348-N365 PolarHBondContact OE1-ND2 2.86Å
349	I	97.6	Very high	95.1	Very high	35 Å²	35	53.2 Å²	53.2	18%	0.179	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	122.6	174.7	-59.1	172.9	0	0	0	109.8	P347 I362 A426 C428	P347-I349 PolarHBondContact O-N 3.46Å; I349-I362 HydrophobicContact CD1-CD1 3.89Å; I349-I362 HydrophobicContact CG1-CD1 4.12Å; I349-I362 HydrophobicContact CG2-CD1 4.43Å; I349-I362 HydrophobicContact CG2-CG1 4.23Å; I349-A426 HydrophobicContact CD1-CB 3.74Å; I349-A426 HydrophobicContact CG1-CB 3.87Å; I349-C428 HydrophobicContact CD1-CB 3.98Å; I349-C428 HydrophobicContact CG2-CB 4.29Å
350	I	97.6	Very high	95.3	Very high	95 Å²	95	53.3 Å²	53.3	49%	0.487	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-46.1	175.6	-51.3	-180	0	0	0	109.6	Q348 T363	Q348-I350 PolarHBondContact O-N 3.49Å; I350-T363 HydrophobicContact CD1-CG2 4.24Å; I350-T363 PolarHBondContact N-O 3.47Å
351	F	97.1	Very high	95.4	Very high	76 Å²	76	53.4 Å²	53.4	33%	0.333	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	158.3	168.5	55.3	-102.7	0	0	0	110.5	R353 V361 T363	F351-R353 HydrophobicContact CD2-CG 4.45Å; F351-R353 VanDerWaalsContact CD2-NH1 3.3Å; F351-R353 VanDerWaalsContact CZ-NH1 3.32Å; F351-V361 HydrophobicContact CE2-CG1 4.18Å; F351-V361 HydrophobicContact CE2-CG2 4.41Å; F351-T363 WeakPolarHBondContact CE2-OG1 3.46Å; F351-T363 HydrophobicContact CZ-CG2 4.38Å; F351-T363 WeakPolarHBondContact CZ-OG1 3.22Å; F351-T363 PolarHBondContact N-O 2.96Å; F351-T363 PolarHBondContact O-N 2.03Å
352	C	97.3	Very high	95.6	Very high	19 Å²	19	50 Å²	50	13%	0.128	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.9	153	74.4	0	0	0	0	110	V361 I362 L409 C428 F430	C352-V361 CarbonylContact C-O 3.53Å; C352-V361 WeakPolarHBondContact CA-O 3.5Å; C352-V361 WeakPolarHBondContact CB-O 3.36Å; C352-I362 HydrophobicContact CB-CB 3.89Å; C352-I362 HydrophobicContact CB-CG1 4.02Å; C352-L409 HydrophobicContact CB-CD1 3.84Å; C352-C428 HydrophobicContact CB-CB 4.29Å; C352-C428 WeakPolarHBondContact CB-SG 3.12Å; C352-C428 WeakPolarHBondContact SG-CB 3.09Å; C352-C428 CovalentContact SG-SG 2.03Å; C352-C428 PolarHBondContact SG-SG 2.79Å; C352-F430 HydrophobicContact CB-CD1 4.13Å; C352-F430 HydrophobicContact CB-CE1 4.36Å
353	R	97.2	Very high	95.9	Very high	103 Å²	103	50.4 Å²	50.4	39%	0.389	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	166.9	-175.2	64.2	-171.6	-165.3	-107.2	-1.3	112.1	F351 E355 G360 V361	F351-R353 HydrophobicContact CD2-CG 4.45Å; F351-R353 VanDerWaalsContact CD2-NH1 3.3Å; F351-R353 VanDerWaalsContact CZ-NH1 3.32Å; R353-E355 IonicContact CZ-OE1 3.81Å; R353-E355 IonicContact NE-OE1 2.85Å; R353-E355 PolarHBondContact NE-OE1 2.98Å; R353-E355 IonicContact NH2-OE1 3.94Å; R353-E355 PolarHBondContact NH2-OE1 3.22Å; R353-G360 CarbonylContact O-C 3.53Å; R353-G360 WeakPolarHBondContact O-CA 3.45Å; R353-V361 HydrophobicContact CG-CG1 3.79Å; R353-V361 PolarHBondContact N-O 3.08Å; R353-V361 PolarHBondContact O-N 2.89Å
354	S	97	Very high	96.2	Very high	12 Å²	12	48 Å²	48	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126	171.5	171.9	0	0	0	0	110.2	A356 Q359 T432 K433	S354-A356 PolarHBondContact OG-O 2.84Å; S354-Q359 VanDerWaalsContact CB-O 3.3Å; S354-Q359 WeakPolarHBondContact CB-O 3.35Å; S354-Q359 PolarHBondContact OG-O 2.92Å; S354-T432 WeakPolarHBondContact OG-CA 3.5Å; S354-K433 WeakPolarHBondContact O-CE 3.35Å
355	E	92.4	Very high	96.5	Very high	130 Å²	130	51 Å²	51	61%	0.607	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	-20.1	178	-68.6	174.6	-168.1	0	0	111.9	R353 K433	R353-E355 IonicContact CZ-OE1 3.81Å; R353-E355 IonicContact NE-OE1 2.85Å; R353-E355 PolarHBondContact NE-OE1 2.98Å; R353-E355 IonicContact NH2-OE1 3.94Å; R353-E355 PolarHBondContact NH2-OE1 3.22Å; E355-K433 WeakPolarHBondContact O-CG 3.3Å
356	A	94.9	Very high	96.7	Very high	40 Å²	40	52.8 Å²	52.8	33%	0.331	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.6	179.7	0	0	0	0	0	111.7	S354 H358 Q359	S354-A356 PolarHBondContact OG-O 2.84Å; A356-H358 VanDerWaalsContact C-N 3.3Å; A356-H358 PolarHBondContact O-N 2.95Å; A356-Q359 HydrophobicContact CB-CB 4.41Å; A356-Q359 PolarHBondContact O-N 3.3Å; A356-Q359 VanDerWaalsContact O-O 3.06Å
357	A	95.3	Very high	96.8	Very high	13 Å²	13	48.6 Å²	48.6	11%	0.107	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.3	-168	0	0	0	0	0	115.5	P403 T432 K433 S434 A435	A357-P403 HydrophobicContact CB-CB 4.06Å; A357-P403 HydrophobicContact CB-CG 4.05Å; A357-P403 WeakPolarHBondContact O-CA 3.24Å; A357-T432 WeakPolarHBondContact O-CB 3.44Å; A357-K433 WeakPolarHBondContact CA-O 3.39Å; A357-K433 HydrophobicContact CB-CB 4.26Å; A357-K433 WeakPolarHBondContact CB-O 3.36Å; A357-S434 WeakPolarHBondContact CB-O 3.36Å; A357-A435 HydrophobicContact CB-CB 3.77Å
358	H	95.9	Very high	96.4	Very high	99 Å²	99	57.9 Å²	57.9	46%	0.458	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	7.9	-176.1	-53.7	103.7	0	0	0	113.6	A356 Q399 N400 L401 P403	A356-H358 VanDerWaalsContact C-N 3.3Å; A356-H358 PolarHBondContact O-N 2.95Å; H358-Q399 CarbonylContact O-C 3.59Å; H358-N400 PolarHBondContact O-N 2.73Å; H358-N400 VanDerWaalsContact O-N 3.12Å; H358-L401 WeakPolarHBondContact CA-O 3.39Å; H358-L401 PolarHBondContact CD2-O 2.7Å; H358-L401 PolarHBondContact O-N 2.88Å; H358-P403 VanDerWaalsContact NE2-CG 3.29Å; H358-P403 WeakPolarHBondContact NE2-CG 3.42Å
359	Q	96.6	Very high	96	Very high	90 Å²	90	59.2 Å²	59.2	42%	0.421	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.3	-169.3	-63.7	-180	-38.6	0	0	112.4	S354 A356 L398	S354-Q359 VanDerWaalsContact CB-O 3.3Å; S354-Q359 WeakPolarHBondContact CB-O 3.35Å; S354-Q359 PolarHBondContact OG-O 2.92Å; A356-Q359 HydrophobicContact CB-CB 4.41Å; A356-Q359 PolarHBondContact O-N 3.3Å; A356-Q359 VanDerWaalsContact O-O 3.06Å; Q359-L398 VanDerWaalsContact CA-O 3.3Å; Q359-L398 WeakPolarHBondContact CA-O 3.43Å
360	G	96.6	Very high	95.7	Very high	6 Å²	6	60.3 Å²	60.3	6%	0.062	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.1	172.5	0	0	0	0	0	111	R353 D397 L398	R353-G360 CarbonylContact O-C 3.53Å; R353-G360 WeakPolarHBondContact O-CA 3.45Å; G360-D397 CarbonylContact O-C 3.56Å; G360-D397 WeakPolarHBondContact O-CA 3.39Å; G360-L398 PolarHBondContact N-O 2.85Å; G360-L398 PolarHBondContact O-N 2.84Å
361	V	97.5	Very high	95.6	Very high	17 Å²	17	56.8 Å²	56.8	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.1	178.7	62.6	0	0	0	0	109.9	F351 C352 R353 K395 D397	F351-V361 HydrophobicContact CE2-CG1 4.18Å; F351-V361 HydrophobicContact CE2-CG2 4.41Å; C352-V361 CarbonylContact C-O 3.53Å; C352-V361 WeakPolarHBondContact CA-O 3.5Å; C352-V361 WeakPolarHBondContact CB-O 3.36Å; R353-V361 HydrophobicContact CG-CG1 3.79Å; R353-V361 PolarHBondContact N-O 3.08Å; R353-V361 PolarHBondContact O-N 2.89Å; V361-K395 HydrophobicContact CG2-CG 4.26Å; V361-D397 WeakPolarHBondContact CG2-OD1 3.45Å
362	I	98.1	Very high	95.5	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140	168.1	180	172	0	0	0	109.1	I349 C352 W364 L376 K395 Y396 L398 L409 L411	I349-I362 HydrophobicContact CD1-CD1 3.89Å; I349-I362 HydrophobicContact CG1-CD1 4.12Å; I349-I362 HydrophobicContact CG2-CD1 4.43Å; I349-I362 HydrophobicContact CG2-CG1 4.23Å; C352-I362 HydrophobicContact CB-CB 3.89Å; C352-I362 HydrophobicContact CB-CG1 4.02Å; I362-W364 HydrophobicContact CG1-CE3 4.13Å; I362-W364 HydrophobicContact CG2-CE3 4.42Å; I362-W364 HydrophobicContact CG2-CZ3 4.05Å; I362-L376 HydrophobicContact CD1-CD1 4.15Å; I362-L376 HydrophobicContact CG2-CD1 4.47Å; I362-L376 HydrophobicContact CG2-CD2 3.93Å; I362-K395 WeakPolarHBondContact O-CA 3.37Å; I362-Y396 PolarHBondContact N-O 2.96Å; I362-Y396 PolarHBondContact O-N 3.01Å; I362-L398 HydrophobicContact CG2-CD1 3.96Å; I362-L409 HydrophobicContact CB-CD1 3.68Å; I362-L409 HydrophobicContact CD1-CB 4.35Å; I362-L409 HydrophobicContact CD1-CD1 3.72Å; I362-L409 HydrophobicContact CG1-CD1 4.16Å; I362-L409 HydrophobicContact CG2-CD1 4.03Å; I362-L411 HydrophobicContact CD1-CB 4.42Å; I362-L411 HydrophobicContact CD1-CD2 4.23Å
363	T	98.2	Very high	95.5	Very high	20 Å²	20	58.1 Å²	58.1	12%	0.123	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.6	178.7	-54.7	0	0	0	0	109	I350 F351 I394 K395	I350-T363 HydrophobicContact CD1-CG2 4.24Å; I350-T363 PolarHBondContact N-O 3.47Å; F351-T363 WeakPolarHBondContact CE2-OG1 3.46Å; F351-T363 HydrophobicContact CZ-CG2 4.38Å; F351-T363 WeakPolarHBondContact CZ-OG1 3.22Å; F351-T363 PolarHBondContact N-O 2.96Å; F351-T363 PolarHBondContact O-N 2.03Å; T363-I394 CarbonylContact C-O 3.58Å; T363-I394 WeakPolarHBondContact CA-O 3.39Å; T363-I394 WeakPolarHBondContact CG2-O 3.39Å; T363-K395 HydrophobicContact CG2-CB 4.46Å
364	W	98.3	Very high	95.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.9	-170.4	66.9	95.6	0	0	0	112.8	Q348 I362 F374 L389 L393 I394 K395 L411	Q348-W364 CarbonylContact O-C 3.32Å; Q348-W364 WeakPolarHBondContact O-CA 3.47Å; Q348-W364 WeakPolarHBondContact O-CB 3.24Å; I362-W364 HydrophobicContact CG1-CE3 4.13Å; I362-W364 HydrophobicContact CG2-CE3 4.42Å; I362-W364 HydrophobicContact CG2-CZ3 4.05Å; W364-F374 HydrophobicContact CZ2-CD2 4.02Å; W364-F374 HydrophobicContact CZ2-CE2 4.23Å; W364-F374 AromaticContact NE1-CD2 3.85Å; W364-F374 AromaticContact NE1-CE1 3.77Å; W364-F374 AromaticContact NE1-CE2 3.38Å; W364-F374 AromaticContact NE1-CZ 3.34Å; W364-F374 VanDerWaalsContact NE1-CZ 3.34Å; W364-L389 HydrophobicContact CH2-CD1 3.8Å; W364-L389 HydrophobicContact CZ2-CD1 4.31Å; W364-L393 HydrophobicContact CH2-CB 4.41Å; W364-L393 HydrophobicContact CZ2-CB 4.24Å; W364-L393 WeakPolarHBondContact CZ2-O 3.31Å; W364-L393 PolarHBondContact NE1-O 3.29Å; W364-I394 PolarHBondContact N-O 2.96Å; W364-I394 WeakPolarHBondContact O-CB 3.39Å; W364-K395 VanDerWaalsContact CZ3-C 3.45Å; W364-L411 HydrophobicContact CB-CD2 3.88Å; W364-L411 HydrophobicContact CD2-CD2 3.45Å; W364-L411 VanDerWaalsContact CD2-CD2 3.45Å; W364-L411 HydrophobicContact CE3-CD2 3.89Å; W364-L411 HydrophobicContact CG-CD2 3.44Å; W364-L411 VanDerWaalsContact CG-CD2 3.44Å
365	N	97.6	Very high	95.6	Very high	67 Å²	67	53.3 Å²	53.3	36%	0.358	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	142.5	164.4	-62.1	-42.2	0	0	0	110	P347 Q348	P347-N365 CarbonylContact C-O 3.59Å; P347-N365 WeakPolarHBondContact CA-O 3.47Å; Q348-N365 HydrophobicContact CB-CB 4.27Å; Q348-N365 PolarHBondContact N-O 2.88Å; Q348-N365 PolarHBondContact O-N 2.91Å; Q348-N365 PolarHBondContact OE1-ND2 2.86Å
366	P	97.1	Very high	95.9	Very high	55 Å²	55	47.1 Å²	47.1	36%	0.357	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-68.4	154	175.1	30.2	-35.7	0	0	0	112	F371 F374	P366-F371 HydrophobicContact CB-CE1 4.04Å; P366-F371 HydrophobicContact CB-CZ 3.81Å; P366-F374 HydrophobicContact CB-CZ 4.05Å
367	P	95.3	Very high	96	Very high	14 Å²	14	45.6 Å²	45.6	9%	0.091	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-70.1	156.5	173.2	30.5	-35.6	0	0	0	112.2	G345 F371 A413	G345-P367 VanDerWaalsContact C-CB 3.44Å; G345-P367 WeakPolarHBondContact O-CB 3.24Å; P367-F371 HydrophobicContact CG-CD1 3.85Å; P367-F371 HydrophobicContact CG-CE1 3.99Å; P367-F371 HydrophobicContact CG-CG 4.36Å; P367-A413 HydrophobicContact CG-CB 3.85Å
368	Q	90.3	Very high	96	Very high	195 Å²	195	47 Å²	47	91%	0.911	23%	0.232	S	C	*	.	S	Bend	trans	-77.5	-20.6	-178.6	-61.4	-65	-35.6	0	0	114.4
369	R	88.4	Confident	96	Very high	158 Å²	158	44.9 Å²	44.9	60%	0.596	22%	0.224	S	C	*	.	S	Bend	trans	-82.8	153.3	176.8	-68.4	-175.4	178	176.4	-1.7	111.2	S343 F371	S343-R369 WeakPolarHBondContact O-CD 3.48Å; S343-R369 PolarHBondContact O-NH1 2.64Å; R369-F371 WeakPolarHBondContact O-CD1 3.27Å; R369-F371 PolarHBondContact O-N 3.21Å
370	S	91.6	Very high	95.8	Very high	58 Å²	58	42.4 Å²	42.4	41%	0.406	21%	0.212	S	C	.	.			trans	-45.3	132	170.6	-54.4	0	0	0	0	113.1	E314	E314-S370 PolarHBondContact OE2-OG 2.67Å
371	F	95.3	Very high	95.1	Very high	21 Å²	21	51.1 Å²	51.1	9%	0.092	25%	0.251	C	S	.	.			trans	-152.5	157.4	173.5	70.2	-78	0	0	0	112.2	P344 P366 P367 R369 F374 K391 A413	P344-F371 HydrophobicContact CB-CB 4.09Å; P344-F371 HydrophobicContact CG-CB 4.05Å; P366-F371 HydrophobicContact CB-CE1 4.04Å; P366-F371 HydrophobicContact CB-CZ 3.81Å; P367-F371 HydrophobicContact CG-CD1 3.85Å; P367-F371 HydrophobicContact CG-CE1 3.99Å; P367-F371 HydrophobicContact CG-CG 4.36Å; R369-F371 WeakPolarHBondContact O-CD1 3.27Å; R369-F371 PolarHBondContact O-N 3.21Å; F371-F374 HydrophobicContact CD2-CE1 4.26Å; F371-F374 HydrophobicContact CD2-CZ 4.28Å; F371-F374 HydrophobicContact CE2-CD1 4.3Å; F371-F374 HydrophobicContact CE2-CD2 4.19Å; F371-F374 AromaticContact CE2-CE1 3.7Å; F371-F374 HydrophobicContact CE2-CE1 3.7Å; F371-F374 AromaticContact CE2-CE2 3.58Å; F371-F374 HydrophobicContact CE2-CE2 3.58Å; F371-F374 AromaticContact CE2-CZ 3.3Å; F371-F374 HydrophobicContact CE2-CZ 3.3Å; F371-F374 HydrophobicContact CZ-CE1 4.1Å; F371-F374 HydrophobicContact CZ-CE2 4.02Å; F371-F374 AromaticContact CZ-CZ 3.49Å; F371-F374 HydrophobicContact CZ-CZ 3.49Å; F371-F374 VanDerWaalsContact CZ-CZ 3.49Å; F371-K391 HydrophobicContact CD2-CB 4.01Å; F371-K391 HydrophobicContact CE2-CB 3.45Å; F371-K391 VanDerWaalsContact CE2-CB 3.45Å; F371-K391 HydrophobicContact CZ-CB 4.14Å; F371-K391 PolarHBondContact O-NZ 3.02Å; F371-A413 HydrophobicContact CB-CB 3.96Å; F371-A413 HydrophobicContact CD2-CB 4.06Å; F371-A413 HydrophobicContact CG-CB 4.07Å
372	H	95.6	Very high	94.1	Very high	81 Å²	81	56.7 Å²	56.7	38%	0.375	29%	0.285	S	S	.	.	S	Bend	trans	-98.1	-40.2	179.9	-73.7	-179.9	0	0	0	113.4	K391 Y414 I416	H372-K391 WeakPolarHBondContact O-CB 3.34Å; H372-K391 WeakPolarHBondContact O-CD 3.49Å; H372-Y414 PolarHBondContact N-O 2.83Å; H372-I416 PolarHBondContact CE1-O 3.01Å; H372-I416 PolarHBondContact ND1-N 3.41Å
373	N	97.3	Very high	93.7	Very high	42 Å²	42	61.9 Å²	61.9	23%	0.225	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	176.1	-178.6	-93.2	-15.7	0	0	0	110.8	L389 D390 K391 A413 Y414	N373-L389 WeakPolarHBondContact CB-O 3.29Å; N373-L389 PolarHBondContact OD1-O 2.05Å; N373-D390 VanDerWaalsContact OD1-CA 3.3Å; N373-D390 WeakPolarHBondContact OD1-CA 3.33Å; N373-K391 PolarHBondContact OD1-N 2.7Å; N373-A413 WeakPolarHBondContact O-CA 3.47Å; N373-Y414 HydrophobicContact CB-CD1 4.22Å; N373-Y414 HydrophobicContact CB-CE1 3.46Å; N373-Y414 VanDerWaalsContact CB-CE1 3.46Å; N373-Y414 HydrophobicContact CB-CE2 4.29Å; N373-Y414 PolarHBondContact N-O 2.96Å; N373-Y414 PolarHBondContact O-N 2.92Å
374	F	98	Very high	93.5	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	158.1	168.4	-59.3	-74.7	0	0	0	111.8	P347 W364 P366 F371 N388 L389 L393 L411 H412 A413	P347-F374 HydrophobicContact CB-CE1 4.04Å; P347-F374 HydrophobicContact CG-CD1 3.93Å; P347-F374 HydrophobicContact CG-CE1 3.78Å; W364-F374 HydrophobicContact CZ2-CD2 4.02Å; W364-F374 HydrophobicContact CZ2-CE2 4.23Å; W364-F374 AromaticContact NE1-CD2 3.85Å; W364-F374 AromaticContact NE1-CE1 3.77Å; W364-F374 AromaticContact NE1-CE2 3.38Å; W364-F374 AromaticContact NE1-CZ 3.34Å; W364-F374 VanDerWaalsContact NE1-CZ 3.34Å; P366-F374 HydrophobicContact CB-CZ 4.05Å; F371-F374 HydrophobicContact CD2-CE1 4.26Å; F371-F374 HydrophobicContact CD2-CZ 4.28Å; F371-F374 HydrophobicContact CE2-CD1 4.3Å; F371-F374 HydrophobicContact CE2-CD2 4.19Å; F371-F374 AromaticContact CE2-CE1 3.7Å; F371-F374 HydrophobicContact CE2-CE1 3.7Å; F371-F374 AromaticContact CE2-CE2 3.58Å; F371-F374 HydrophobicContact CE2-CE2 3.58Å; F371-F374 AromaticContact CE2-CZ 3.3Å; F371-F374 HydrophobicContact CE2-CZ 3.3Å; F371-F374 HydrophobicContact CZ-CE1 4.1Å; F371-F374 HydrophobicContact CZ-CE2 4.02Å; F371-F374 AromaticContact CZ-CZ 3.49Å; F371-F374 HydrophobicContact CZ-CZ 3.49Å; F371-F374 VanDerWaalsContact CZ-CZ 3.49Å; F374-N388 CarbonylContact O-C 3.57Å; F374-N388 WeakPolarHBondContact O-CA 3.39Å; F374-L389 HydrophobicContact CB-CB 4.3Å; F374-L389 PolarHBondContact N-O 3.09Å; F374-L389 PolarHBondContact O-N 2.84Å; F374-L393 WeakPolarHBondContact CE2-O 3.43Å; F374-L411 HydrophobicContact CB-CD1 4.04Å; F374-L411 HydrophobicContact CG-CD1 4.46Å; F374-H412 CarbonylContact C-O 3.5Å; F374-H412 WeakPolarHBondContact CA-O 3.08Å; F374-A413 HydrophobicContact CD1-CB 3.96Å; F374-A413 HydrophobicContact CE1-CB 4.06Å
375	T	98.1	Very high	93.3	Very high	14 Å²	14	70.1 Å²	70.1	9%	0.086	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.6	162	-54	0	0	0	0	108.3	L387 N388 L411 H412 Y414	T375-L387 CarbonylContact C-O 3.55Å; T375-L387 WeakPolarHBondContact CA-O 3.45Å; T375-N388 WeakPolarHBondContact CG2-OD1 3.24Å; T375-N388 PolarHBondContact OG1-OD1 2.86Å; T375-L411 WeakPolarHBondContact O-CA 3.11Å; T375-H412 PolarHBondContact N-O 3.02Å; T375-H412 PolarHBondContact O-N 2.63Å; T375-H412 VanDerWaalsContact O-N 3.08Å; T375-Y414 WeakPolarHBondContact OG1-CD1 3.31Å
376	L	98.1	Very high	93.2	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.9	172.3	174.3	62.2	0	0	0	108.7	I362 C386 L387 L389 Y396 L409 L411	I362-L376 HydrophobicContact CD1-CD1 4.15Å; I362-L376 HydrophobicContact CG2-CD1 4.47Å; I362-L376 HydrophobicContact CG2-CD2 3.93Å; L376-C386 CarbonylContact O-C 3.47Å; L376-C386 WeakPolarHBondContact O-CA 3.48Å; L376-L387 PolarHBondContact N-O 2.91Å; L376-L387 PolarHBondContact O-N 2.83Å; L376-L389 HydrophobicContact CB-CD1 3.71Å; L376-L389 HydrophobicContact CB-CG 4.24Å; L376-L389 HydrophobicContact CD2-CD1 3.99Å; L376-Y396 HydrophobicContact CD2-CD1 3.69Å; L376-Y396 HydrophobicContact CD2-CE1 4.44Å; L376-Y396 HydrophobicContact CD2-CG 4.06Å; L376-L409 HydrophobicContact CD1-CB 4.36Å; L376-L411 HydrophobicContact CB-CD1 3.91Å; L376-L411 HydrophobicContact CD1-CB 4.21Å; L376-L411 HydrophobicContact CD1-CD1 4.24Å
377	C	96.9	Very high	93.2	Very high	7 Å²	7	70 Å²	70	5%	0.047	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143.9	168	-59.7	0	0	0	0	110.8	K384 D385 C386 L409 S410	C377-K384 HydrophobicContact CB-CG 4.48Å; C377-D385 CarbonylContact C-O 3.52Å; C377-D385 WeakPolarHBondContact CA-O 2.99Å; C377-D385 WeakPolarHBondContact CB-O 3.42Å; C377-C386 HydrophobicContact CB-CB 4.13Å; C377-C386 WeakPolarHBondContact CB-SG 3.13Å; C377-C386 WeakPolarHBondContact SG-CB 3.49Å; C377-C386 CovalentContact SG-SG 2.05Å; C377-C386 PolarHBondContact SG-SG 3.05Å; C377-L409 WeakPolarHBondContact O-CA 3.16Å; C377-S410 PolarHBondContact N-O 3.11Å; C377-S410 PolarHBondContact O-N 2.91Å
378	Y	95.8	Very high	93.3	Very high	42 Å²	42	74.4 Å²	74.4	17%	0.165	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.1	172.4	54.9	-87	0	0	0	110.4	D385 L387 L398 L401 Y407	Y378-D385 HydrophobicContact CD1-CB 4.2Å; Y378-D385 HydrophobicContact CD2-CB 3.88Å; Y378-D385 HydrophobicContact CE1-CB 3.78Å; Y378-D385 HydrophobicContact CE2-CB 3.44Å; Y378-D385 VanDerWaalsContact CE2-CB 3.44Å; Y378-D385 WeakPolarHBondContact CE2-OD2 3.33Å; Y378-D385 HydrophobicContact CG-CB 4.24Å; Y378-D385 PolarHBondContact N-O 2.74Å; Y378-D385 PolarHBondContact O-N 2.85Å; Y378-L387 HydrophobicContact CE1-CD1 3.96Å; Y378-L387 HydrophobicContact CE1-CG 4.32Å; Y378-L398 HydrophobicContact CD1-CD2 3.68Å; Y378-L398 HydrophobicContact CD2-CD2 4.28Å; Y378-L398 HydrophobicContact CE1-CD2 4.26Å; Y378-L398 HydrophobicContact CG-CD2 3.7Å; Y378-L401 HydrophobicContact CD2-CD2 4.34Å; Y378-L401 HydrophobicContact CE2-CD2 4.2Å; Y378-Y407 HydrophobicContact CD2-CD1 4.06Å; Y378-Y407 AromaticContact CD2-CE1 3.95Å; Y378-Y407 HydrophobicContact CD2-CE1 3.95Å
379	I	95	Very high	93.6	Very high	56 Å²	56	65.6 Å²	65.6	29%	0.287	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.9	-167.5	-53.1	171.9	0	0	0	108.9	E383 K384 Y407 V408	I379-E383 WeakPolarHBondContact CA-O 3.49Å; I379-K384 HydrophobicContact CD1-CD 4.35Å; I379-K384 HydrophobicContact CG1-CB 4.13Å; I379-K384 HydrophobicContact CG1-CD 4.34Å; I379-K384 HydrophobicContact CG1-CG 3.96Å; I379-Y407 WeakPolarHBondContact O-CA 3.37Å; I379-V408 HydrophobicContact CB-CB 4.49Å; I379-V408 PolarHBondContact N-O 3.02Å; I379-V408 PolarHBondContact O-N 3.24Å
380	K	92.9	Very high	94	Very high	38 Å²	38	61.8 Å²	61.8	17%	0.165	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123	172.5	70.7	-174	-170.3	-99.6	0	108.4	T382 E383 D385 T405 Y407	K380-T382 PolarHBondContact O-N 2.84Å; K380-E383 WeakPolarHBondContact CE-OE2 3.33Å; K380-E383 HydrophobicContact CG-CB 4.02Å; K380-E383 PolarHBondContact N-O 3.4Å; K380-E383 IonicContact NZ-OE2 2.9Å; K380-E383 PolarHBondContact NZ-OE2 3.25Å; K380-E383 PolarHBondContact O-N 2.98Å; K380-D385 IonicContact NZ-OD2 3.11Å; K380-T405 HydrophobicContact CB-CG2 3.95Å; K380-T405 HydrophobicContact CD-CG2 4.47Å; K380-Y407 HydrophobicContact CB-CD1 4.02Å; K380-Y407 HydrophobicContact CB-CE1 3.78Å; K380-Y407 HydrophobicContact CD-CE1 3.83Å; K380-Y407 WeakPolarHBondContact CD-OH 3.41Å; K380-Y407 HydrophobicContact CG-CE1 4.19Å
381	E	82.6	Confident	94.2	Very high	188 Å²	188	63.1 Å²	63.1	88%	0.879	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	-90.9	-178.8	-62.2	-180	-170.6	0	0	114.1
382	T	76.3	Confident	94.3	Very high	135 Å²	135	68.2 Å²	68.2	83%	0.828	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-10.8	176.4	55.7	0	0	0	0	114.8	K380	K380-T382 PolarHBondContact O-N 2.84Å
383	E	89.7	Confident	94.3	Very high	108 Å²	108	67.8 Å²	67.8	51%	0.505	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.5	179.2	-74.4	174.6	-124.5	0	0	111	I379 K380	I379-E383 WeakPolarHBondContact CA-O 3.49Å; K380-E383 WeakPolarHBondContact CE-OE2 3.33Å; K380-E383 HydrophobicContact CG-CB 4.02Å; K380-E383 PolarHBondContact N-O 3.4Å; K380-E383 IonicContact NZ-OE2 2.9Å; K380-E383 PolarHBondContact NZ-OE2 3.25Å; K380-E383 PolarHBondContact O-N 2.98Å
384	K	93.4	Very high	94.3	Very high	136 Å²	136	70.1 Å²	70.1	59%	0.591	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	107.4	179.4	170.5	177	170.6	-177.9	0	109.4	C377 I379 C386	C377-K384 HydrophobicContact CB-CG 4.48Å; I379-K384 HydrophobicContact CD1-CD 4.35Å; I379-K384 HydrophobicContact CG1-CB 4.13Å; I379-K384 HydrophobicContact CG1-CD 4.34Å; I379-K384 HydrophobicContact CG1-CG 3.96Å; K384-C386 WeakPolarHBondContact CE-SG 3.35Å
385	D	94.1	Very high	94.3	Very high	58 Å²	58	74.5 Å²	74.5	31%	0.31	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.6	172.4	-61.5	-60.4	0	0	0	109.1	C377 Y378 K380	C377-D385 CarbonylContact C-O 3.52Å; C377-D385 WeakPolarHBondContact CA-O 2.99Å; C377-D385 WeakPolarHBondContact CB-O 3.42Å; Y378-D385 HydrophobicContact CD1-CB 4.2Å; Y378-D385 HydrophobicContact CD2-CB 3.88Å; Y378-D385 HydrophobicContact CE1-CB 3.78Å; Y378-D385 HydrophobicContact CE2-CB 3.44Å; Y378-D385 VanDerWaalsContact CE2-CB 3.44Å; Y378-D385 WeakPolarHBondContact CE2-OD2 3.33Å; Y378-D385 HydrophobicContact CG-CB 4.24Å; Y378-D385 PolarHBondContact N-O 2.74Å; Y378-D385 PolarHBondContact O-N 2.85Å; K380-D385 IonicContact NZ-OD2 3.11Å
386	C	96.4	Very high	94.3	Very high	64 Å²	64	77.2 Å²	77.2	43%	0.432	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.4	179.2	-66	0	0	0	0	111.9	L376 C377 K384	L376-C386 CarbonylContact O-C 3.47Å; L376-C386 WeakPolarHBondContact O-CA 3.48Å; C377-C386 HydrophobicContact CB-CB 4.13Å; C377-C386 WeakPolarHBondContact CB-SG 3.13Å; C377-C386 WeakPolarHBondContact SG-CB 3.49Å; C377-C386 CovalentContact SG-SG 2.05Å; C377-C386 PolarHBondContact SG-SG 3.05Å; K384-C386 WeakPolarHBondContact CE-SG 3.35Å
387	L	96.7	Very high	94.2	Very high	54 Å²	54	80.7 Å²	80.7	28%	0.283	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.3	-177.5	-60.7	172.6	0	0	0	109.3	T375 L376 Y378 L389 Y396	T375-L387 CarbonylContact C-O 3.55Å; T375-L387 WeakPolarHBondContact CA-O 3.45Å; L376-L387 PolarHBondContact N-O 2.91Å; L376-L387 PolarHBondContact O-N 2.83Å; Y378-L387 HydrophobicContact CE1-CD1 3.96Å; Y378-L387 HydrophobicContact CE1-CG 4.32Å; L387-L389 HydrophobicContact CB-CD2 4.05Å; L387-Y396 HydrophobicContact CD1-CE1 3.76Å; L387-Y396 WeakPolarHBondContact CD1-OH 3.07Å
388	N	97.2	Very high	94.2	Very high	107 Å²	107	80.5 Å²	80.5	57%	0.572	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	129.1	166.1	-69.4	-32.7	0	0	0	108.8	F374 T375	F374-N388 CarbonylContact O-C 3.57Å; F374-N388 WeakPolarHBondContact O-CA 3.39Å; T375-N388 WeakPolarHBondContact CG2-OD1 3.24Å; T375-N388 PolarHBondContact OG1-OD1 2.86Å
389	L	97.3	Very high	94.2	Very high	10 Å²	10	82.5 Å²	82.5	5%	0.052	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.8	-175.9	-52.5	-178.2	0	0	0	109.9	W364 N373 F374 L376 L387 L393 Y396	W364-L389 HydrophobicContact CH2-CD1 3.8Å; W364-L389 HydrophobicContact CZ2-CD1 4.31Å; N373-L389 WeakPolarHBondContact CB-O 3.29Å; N373-L389 PolarHBondContact OD1-O 2.05Å; F374-L389 HydrophobicContact CB-CB 4.3Å; F374-L389 PolarHBondContact N-O 3.09Å; F374-L389 PolarHBondContact O-N 2.84Å; L376-L389 HydrophobicContact CB-CD1 3.71Å; L376-L389 HydrophobicContact CB-CG 4.24Å; L376-L389 HydrophobicContact CD2-CD1 3.99Å; L387-L389 HydrophobicContact CB-CD2 4.05Å; L389-L393 HydrophobicContact CB-CD1 4.2Å; L389-Y396 HydrophobicContact CD1-CD2 3.97Å; L389-Y396 HydrophobicContact CD1-CG 4.06Å; L389-Y396 HydrophobicContact CD2-CD2 3.68Å; L389-Y396 HydrophobicContact CD2-CE2 3.64Å; L389-Y396 HydrophobicContact CD2-CG 4.41Å; L389-Y396 HydrophobicContact CG-CD2 4.5Å
390	D	96.8	Very high	94.1	Very high	79 Å²	79	87.4 Å²	87.4	42%	0.422	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	139.5	176.3	-178.7	-88	0	0	0	111.8	N373 N392 L393	N373-D390 VanDerWaalsContact OD1-CA 3.3Å; N373-D390 WeakPolarHBondContact OD1-CA 3.33Å; D390-N392 PolarHBondContact O-N 2.92Å; D390-N392 VanDerWaalsContact O-N 3.09Å; D390-N392 VanDerWaalsContact OD1-CB 3.24Å; D390-N392 WeakPolarHBondContact OD1-CB 3.42Å; D390-N392 PolarHBondContact OD1-N 2.84Å; D390-N392 PolarHBondContact OD1-ND2 2.87Å; D390-L393 HydrophobicContact CB-CD1 4.21Å; D390-L393 HydrophobicContact CB-CG 4.3Å; D390-L393 WeakPolarHBondContact O-CB 3.34Å; D390-L393 PolarHBondContact O-N 2.81Å
391	K	95.9	Very high	94.2	Very high	86 Å²	86	85.8 Å²	85.8	37%	0.374	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.7	-177.7	61	176.3	-68	160.4	0	116.1	F371 H372 N373	F371-K391 HydrophobicContact CD2-CB 4.01Å; F371-K391 HydrophobicContact CE2-CB 3.45Å; F371-K391 VanDerWaalsContact CE2-CB 3.45Å; F371-K391 HydrophobicContact CZ-CB 4.14Å; F371-K391 PolarHBondContact O-NZ 3.02Å; H372-K391 WeakPolarHBondContact O-CB 3.34Å; H372-K391 WeakPolarHBondContact O-CD 3.49Å; N373-K391 PolarHBondContact OD1-N 2.7Å
392	N	95.9	Very high	94.8	Very high	127 Å²	127	80.9 Å²	80.9	68%	0.679	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-9.9	179	-52.9	-76	0	0	0	112.3	D390	D390-N392 PolarHBondContact O-N 2.92Å; D390-N392 VanDerWaalsContact O-N 3.09Å; D390-N392 VanDerWaalsContact OD1-CB 3.24Å; D390-N392 WeakPolarHBondContact OD1-CB 3.42Å; D390-N392 PolarHBondContact OD1-N 2.84Å; D390-N392 PolarHBondContact OD1-ND2 2.87Å
393	L	96.7	Very high	95.7	Very high	72 Å²	72	74.9 Å²	74.9	38%	0.377	37%	0.373	S	S	.	.			trans	-75.9	132.5	174	-64.6	172.2	0	0	0	110.7	W364 F374 L389 D390	W364-L393 HydrophobicContact CH2-CB 4.41Å; W364-L393 HydrophobicContact CZ2-CB 4.24Å; W364-L393 WeakPolarHBondContact CZ2-O 3.31Å; W364-L393 PolarHBondContact NE1-O 3.29Å; F374-L393 WeakPolarHBondContact CE2-O 3.43Å; L389-L393 HydrophobicContact CB-CD1 4.2Å; D390-L393 HydrophobicContact CB-CD1 4.21Å; D390-L393 HydrophobicContact CB-CG 4.3Å; D390-L393 WeakPolarHBondContact O-CB 3.34Å; D390-L393 PolarHBondContact O-N 2.81Å
394	I	97.3	Very high	96	Very high	91 Å²	91	75.1 Å²	75.1	47%	0.467	37%	0.371	S	S	.	.			trans	-121.7	2.5	174.6	58.2	167.4	0	0	0	112.2	T363 W364	T363-I394 CarbonylContact C-O 3.58Å; T363-I394 WeakPolarHBondContact CA-O 3.39Å; T363-I394 WeakPolarHBondContact CG2-O 3.39Å; W364-I394 PolarHBondContact N-O 2.96Å; W364-I394 WeakPolarHBondContact O-CB 3.39Å
395	K	97.7	Very high	96.1	Very high	93 Å²	93	69.5 Å²	69.5	40%	0.404	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143.2	-179.4	178.9	171.9	-177.7	-78.4	0	109.1	V361 I362 T363 W364 D397	V361-K395 HydrophobicContact CG2-CG 4.26Å; I362-K395 WeakPolarHBondContact O-CA 3.37Å; T363-K395 HydrophobicContact CG2-CB 4.46Å; W364-K395 VanDerWaalsContact CZ3-C 3.45Å; K395-D397 IonicContact NZ-OD1 2.65Å; K395-D397 PolarHBondContact NZ-OD1 2.77Å; K395-D397 IonicContact NZ-OD2 2.9Å; K395-D397 PolarHBondContact NZ-OD2 3Å
396	Y	97.8	Very high	96.1	Very high	71 Å²	71	72.2 Å²	72.2	28%	0.278	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.4	172.2	-167.5	-96.1	0	0	0	110.5	I362 L376 L387 L389 L398	I362-Y396 PolarHBondContact N-O 2.96Å; I362-Y396 PolarHBondContact O-N 3.01Å; L376-Y396 HydrophobicContact CD2-CD1 3.69Å; L376-Y396 HydrophobicContact CD2-CE1 4.44Å; L376-Y396 HydrophobicContact CD2-CG 4.06Å; L387-Y396 HydrophobicContact CD1-CE1 3.76Å; L387-Y396 WeakPolarHBondContact CD1-OH 3.07Å; L389-Y396 HydrophobicContact CD1-CD2 3.97Å; L389-Y396 HydrophobicContact CD1-CG 4.06Å; L389-Y396 HydrophobicContact CD2-CD2 3.68Å; L389-Y396 HydrophobicContact CD2-CE2 3.64Å; L389-Y396 HydrophobicContact CD2-CG 4.41Å; L389-Y396 HydrophobicContact CG-CD2 4.5Å; Y396-L398 HydrophobicContact CD1-CD1 4.2Å; Y396-L398 HydrophobicContact CD1-CG 4.06Å; Y396-L398 HydrophobicContact CE1-CG 4.26Å
397	D	96.9	Very high	96.2	Very high	73 Å²	73	69.3 Å²	69.3	39%	0.39	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	98.2	-178.4	-60.8	-83.1	0	0	0	109.2	G360 V361 K395 Q399	G360-D397 CarbonylContact O-C 3.56Å; G360-D397 WeakPolarHBondContact O-CA 3.39Å; V361-D397 WeakPolarHBondContact CG2-OD1 3.45Å; K395-D397 IonicContact NZ-OD1 2.65Å; K395-D397 PolarHBondContact NZ-OD1 2.77Å; K395-D397 IonicContact NZ-OD2 2.9Å; K395-D397 PolarHBondContact NZ-OD2 3Å; D397-Q399 PolarHBondContact O-N 3.34Å; D397-Q399 PolarHBondContact O-NE2 2.75Å
398	L	96.5	Very high	96.2	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	130.8	177.4	-62.2	89.3	0	0	0	109.9	Q359 G360 I362 Y378 Y396 L401 L409	Q359-L398 VanDerWaalsContact CA-O 3.3Å; Q359-L398 WeakPolarHBondContact CA-O 3.43Å; G360-L398 PolarHBondContact N-O 2.85Å; G360-L398 PolarHBondContact O-N 2.84Å; I362-L398 HydrophobicContact CG2-CD1 3.96Å; Y378-L398 HydrophobicContact CD1-CD2 3.68Å; Y378-L398 HydrophobicContact CD2-CD2 4.28Å; Y378-L398 HydrophobicContact CE1-CD2 4.26Å; Y378-L398 HydrophobicContact CG-CD2 3.7Å; Y396-L398 HydrophobicContact CD1-CD1 4.2Å; Y396-L398 HydrophobicContact CD1-CG 4.06Å; Y396-L398 HydrophobicContact CE1-CG 4.26Å; L398-L401 HydrophobicContact CB-CD1 4.03Å; L398-L401 HydrophobicContact CB-CD2 4.13Å; L398-L401 HydrophobicContact CB-CG 4.25Å; L398-L401 HydrophobicContact CD2-CD2 4.36Å; L398-L409 HydrophobicContact CD1-CD1 4.29Å; L398-L409 HydrophobicContact CD2-CD2 3.82Å
399	Q	95	Very high	96.2	Very high	84 Å²	84	64.1 Å²	64.1	39%	0.393	31%	0.311	S	S	.	.			trans	-114.6	169	179.2	-56.3	-58.8	-41.8	0	0	110.6	H358 D397 L401	H358-Q399 CarbonylContact O-C 3.59Å; D397-Q399 PolarHBondContact O-N 3.34Å; D397-Q399 PolarHBondContact O-NE2 2.75Å; Q399-L401 PolarHBondContact O-N 2.77Å; Q399-L401 VanDerWaalsContact O-N 3.12Å
400	N	93.9	Very high	96.2	Very high	159 Å²	159	64.5 Å²	64.5	85%	0.85	31%	0.314	S	S	*	.	S	Bend	trans	56.1	28	173.2	-53.7	-29.2	0	0	0	114.4	H358	H358-N400 PolarHBondContact O-N 2.73Å; H358-N400 VanDerWaalsContact O-N 3.12Å
401	L	94.6	Very high	96.3	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.021	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-71.9	153.9	175.2	-55.8	-172.6	0	0	0	110.7	H358 Y378 L398 Q399 Y407 F430 T432	H358-L401 WeakPolarHBondContact CA-O 3.39Å; H358-L401 PolarHBondContact CD2-O 2.7Å; H358-L401 PolarHBondContact O-N 2.88Å; Y378-L401 HydrophobicContact CD2-CD2 4.34Å; Y378-L401 HydrophobicContact CE2-CD2 4.2Å; L398-L401 HydrophobicContact CB-CD1 4.03Å; L398-L401 HydrophobicContact CB-CD2 4.13Å; L398-L401 HydrophobicContact CB-CG 4.25Å; L398-L401 HydrophobicContact CD2-CD2 4.36Å; Q399-L401 PolarHBondContact O-N 2.77Å; Q399-L401 VanDerWaalsContact O-N 3.12Å; L401-Y407 HydrophobicContact CB-CE2 3.88Å; L401-Y407 HydrophobicContact CD1-CD2 4.35Å; L401-Y407 HydrophobicContact CD1-CE2 4.29Å; L401-Y407 HydrophobicContact CD2-CD1 4.4Å; L401-Y407 HydrophobicContact CD2-CE1 3.84Å; L401-Y407 HydrophobicContact CD2-CE2 4.3Å; L401-Y407 HydrophobicContact CG-CE2 4.39Å; L401-F430 HydrophobicContact CD1-CE2 3.86Å; L401-F430 HydrophobicContact CD1-CZ 3.96Å; L401-T432 HydrophobicContact CB-CG2 3.91Å; L401-T432 HydrophobicContact CD1-CG2 3.89Å
402	K	94.1	Very high	96.4	Very high	85 Å²	85	57.9 Å²	57.9	37%	0.37	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-79.1	137.5	174.4	-173.5	165.2	172.6	148	0	110.3	T405 Y407 T432 D462	K402-T405 WeakPolarHBondContact CG-OG1 3.46Å; K402-T405 WeakPolarHBondContact O-CB 3.5Å; K402-T405 PolarHBondContact O-OG1 3.45Å; K402-Y407 PolarHBondContact N-OH 2.94Å; K402-T432 PolarHBondContact O-OG1 3.36Å; K402-D462 VanDerWaalsContact CE-OD1 3.27Å; K402-D462 WeakPolarHBondContact CE-OD1 3.37Å; K402-D462 IonicContact NZ-OD1 2.81Å; K402-D462 PolarHBondContact NZ-OD1 2.83Å
403	P	96.3	Very high	96.5	Very high	9 Å²	9	51.9 Å²	51.9	6%	0.058	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	155.4	174.2	-27.7	37.6	0	0	0	113.8	A357 H358 T405 K433 A435 N464	A357-P403 HydrophobicContact CB-CB 4.06Å; A357-P403 HydrophobicContact CB-CG 4.05Å; A357-P403 WeakPolarHBondContact O-CA 3.24Å; H358-P403 VanDerWaalsContact NE2-CG 3.29Å; H358-P403 WeakPolarHBondContact NE2-CG 3.42Å; P403-T405 PolarHBondContact O-N 2.57Å; P403-T405 PolarHBondContact O-OG1 2.93Å; P403-K433 WeakPolarHBondContact CA-O 3.41Å; P403-A435 HydrophobicContact CB-CB 3.79Å; P403-A435 HydrophobicContact CG-CB 3.74Å; P403-N464 HydrophobicContact CB-CB 3.75Å; P403-N464 HydrophobicContact CG-CB 4.29Å
404	Y	95.8	Very high	96.5	Very high	114 Å²	114	49.3 Å²	49.3	45%	0.447	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	35.4	178	-163	-104.7	0	0	0	114.3	T432 K433 P466	Y404-T432 WeakPolarHBondContact CA-O 3.34Å; Y404-T432 PolarHBondContact N-OG1 2.87Å; Y404-T432 VanDerWaalsContact N-OG1 3.11Å; Y404-K433 PolarHBondContact N-O 3.41Å; Y404-P466 HydrophobicContact CE1-CB 4.2Å; Y404-P466 HydrophobicContact CE2-CB 4.2Å
405	T	94.8	Very high	96.4	Very high	17 Å²	17	45.1 Å²	45.1	10%	0.104	21%	0.214	C	C	.	.			trans	-118.2	134.5	-173.1	-61.2	0	0	0	0	109.9	K380 K402 P403 Y407 T431 T432	K380-T405 HydrophobicContact CB-CG2 3.95Å; K380-T405 HydrophobicContact CD-CG2 4.47Å; K402-T405 WeakPolarHBondContact CG-OG1 3.46Å; K402-T405 WeakPolarHBondContact O-CB 3.5Å; K402-T405 PolarHBondContact O-OG1 3.45Å; P403-T405 PolarHBondContact O-N 2.57Å; P403-T405 PolarHBondContact O-OG1 2.93Å; T405-Y407 HydrophobicContact CG2-CD2 4.21Å; T405-Y407 HydrophobicContact CG2-CE2 3.72Å; T405-Y407 WeakPolarHBondContact O-CD2 3.39Å; T405-T431 WeakPolarHBondContact O-CA 3.31Å; T405-T432 PolarHBondContact N-OG1 2.89Å; T405-T432 PolarHBondContact O-N 2.85Å; T405-T432 PolarHBondContact O-OG1 3.11Å
406	K	95.6	Very high	96.2	Very high	115 Å²	115	45.2 Å²	45.2	50%	0.5	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.8	176.8	-173.7	178.5	-178.5	175.5	0	110	H429	K406-H429 WeakPolarHBondContact CE-CD2 3.36Å
407	Y	96.9	Very high	95.9	Very high	4 Å²	4	43 Å²	43	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.8	174	-74.7	-91.8	0	0	0	110.4	Y378 I379 K380 L401 K402 T405 H429 F430 T432	Y378-Y407 HydrophobicContact CD2-CD1 4.06Å; Y378-Y407 AromaticContact CD2-CE1 3.95Å; Y378-Y407 HydrophobicContact CD2-CE1 3.95Å; I379-Y407 WeakPolarHBondContact O-CA 3.37Å; K380-Y407 HydrophobicContact CB-CD1 4.02Å; K380-Y407 HydrophobicContact CB-CE1 3.78Å; K380-Y407 HydrophobicContact CD-CE1 3.83Å; K380-Y407 WeakPolarHBondContact CD-OH 3.41Å; K380-Y407 HydrophobicContact CG-CE1 4.19Å; L401-Y407 HydrophobicContact CB-CE2 3.88Å; L401-Y407 HydrophobicContact CD1-CD2 4.35Å; L401-Y407 HydrophobicContact CD1-CE2 4.29Å; L401-Y407 HydrophobicContact CD2-CD1 4.4Å; L401-Y407 HydrophobicContact CD2-CE1 3.84Å; L401-Y407 HydrophobicContact CD2-CE2 4.3Å; L401-Y407 HydrophobicContact CG-CE2 4.39Å; K402-Y407 PolarHBondContact N-OH 2.94Å; T405-Y407 HydrophobicContact CG2-CD2 4.21Å; T405-Y407 HydrophobicContact CG2-CE2 3.72Å; T405-Y407 WeakPolarHBondContact O-CD2 3.39Å; Y407-H429 VanDerWaalsContact O-CA 3.24Å; Y407-H429 WeakPolarHBondContact O-CA 3.49Å; Y407-H429 VanDerWaalsContact O-CB 3.31Å; Y407-H429 WeakPolarHBondContact O-CB 3.44Å; Y407-F430 HydrophobicContact CD2-CE2 4.28Å; Y407-F430 HydrophobicContact CG-CE2 4.42Å; Y407-F430 PolarHBondContact N-O 2.62Å; Y407-F430 PolarHBondContact O-N 2.64Å; Y407-T432 HydrophobicContact CD2-CG2 4.05Å; Y407-T432 HydrophobicContact CE2-CG2 4Å
408	V	97.4	Very high	95.6	Very high	52 Å²	52	45.4 Å²	45.4	32%	0.315	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.3	167.4	-177.7	0	0	0	0	107.8	I379 H429	I379-V408 HydrophobicContact CB-CB 4.49Å; I379-V408 PolarHBondContact N-O 3.02Å; I379-V408 PolarHBondContact O-N 3.24Å; V408-H429 HydrophobicContact CG2-CB 4.14Å
409	L	97.5	Very high	95.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	145.3	174.9	-53.9	-169.8	0	0	0	110.1	C352 I362 L376 C377 L398 M427 C428 F430	C352-L409 HydrophobicContact CB-CD1 3.84Å; I362-L409 HydrophobicContact CB-CD1 3.68Å; I362-L409 HydrophobicContact CD1-CB 4.35Å; I362-L409 HydrophobicContact CD1-CD1 3.72Å; I362-L409 HydrophobicContact CG1-CD1 4.16Å; I362-L409 HydrophobicContact CG2-CD1 4.03Å; L376-L409 HydrophobicContact CD1-CB 4.36Å; C377-L409 WeakPolarHBondContact O-CA 3.16Å; L398-L409 HydrophobicContact CD1-CD1 4.29Å; L398-L409 HydrophobicContact CD2-CD2 3.82Å; L409-M427 VanDerWaalsContact O-CA 3.27Å; L409-M427 WeakPolarHBondContact O-CA 3.22Å; L409-C428 PolarHBondContact N-O 2.84Å; L409-C428 PolarHBondContact O-N 2.87Å; L409-C428 VanDerWaalsContact O-N 3.16Å; L409-F430 HydrophobicContact CD1-CE1 3.91Å; L409-F430 HydrophobicContact CG-CE1 4.27Å
410	S	97.5	Very high	95.4	Very high	17 Å²	17	48.3 Å²	48.3	12%	0.119	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	117.8	174.1	172.3	0	0	0	0	108.3	C377 A426	C377-S410 PolarHBondContact N-O 3.11Å; C377-S410 PolarHBondContact O-N 2.91Å; S410-A426 WeakPolarHBondContact CA-O 3.12Å
411	L	98.1	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.4	-175.8	178.2	71.4	0	0	0	110.1	P347 I362 W364 F374 T375 L376 A425 A426	P347-L411 HydrophobicContact CB-CD2 3.99Å; P347-L411 HydrophobicContact CB-CG 4.33Å; P347-L411 HydrophobicContact CG-CD2 4.41Å; P347-L411 HydrophobicContact CG-CG 4.21Å; I362-L411 HydrophobicContact CD1-CB 4.42Å; I362-L411 HydrophobicContact CD1-CD2 4.23Å; W364-L411 HydrophobicContact CB-CD2 3.88Å; W364-L411 HydrophobicContact CD2-CD2 3.45Å; W364-L411 VanDerWaalsContact CD2-CD2 3.45Å; W364-L411 HydrophobicContact CE3-CD2 3.89Å; W364-L411 HydrophobicContact CG-CD2 3.44Å; W364-L411 VanDerWaalsContact CG-CD2 3.44Å; F374-L411 HydrophobicContact CB-CD1 4.04Å; F374-L411 HydrophobicContact CG-CD1 4.46Å; T375-L411 WeakPolarHBondContact O-CA 3.11Å; L376-L411 HydrophobicContact CB-CD1 3.91Å; L376-L411 HydrophobicContact CD1-CB 4.21Å; L376-L411 HydrophobicContact CD1-CD1 4.24Å; L411-A425 CarbonylContact O-C 3.57Å; L411-A425 WeakPolarHBondContact O-CA 3.34Å; L411-A426 PolarHBondContact N-O 3.14Å; L411-A426 PolarHBondContact O-N 2.89Å
412	H	97.8	Very high	95.4	Very high	27 Å²	27	45.4 Å²	45.4	13%	0.125	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.3	172	68.2	83.1	0	0	0	111.6	F374 T375 S424 A425	F374-H412 CarbonylContact C-O 3.5Å; F374-H412 WeakPolarHBondContact CA-O 3.08Å; T375-H412 PolarHBondContact N-O 3.02Å; T375-H412 PolarHBondContact O-N 2.63Å; T375-H412 VanDerWaalsContact O-N 3.08Å; H412-S424 WeakPolarHBondContact CB-O 3.3Å; H412-A425 HydrophobicContact CB-CB 3.94Å
413	A	97.5	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	160.1	164.5	0	0	0	0	0	110.5	P344 P347 P367 F371 N373 F374 G423	P344-A413 HydrophobicContact CB-CB 3.79Å; P344-A413 HydrophobicContact CG-CB 4.47Å; P347-A413 HydrophobicContact CG-CB 4.48Å; P367-A413 HydrophobicContact CG-CB 3.85Å; F371-A413 HydrophobicContact CB-CB 3.96Å; F371-A413 HydrophobicContact CD2-CB 4.06Å; F371-A413 HydrophobicContact CG-CB 4.07Å; N373-A413 WeakPolarHBondContact O-CA 3.47Å; F374-A413 HydrophobicContact CD1-CB 3.96Å; F374-A413 HydrophobicContact CE1-CB 4.06Å; A413-G423 PolarHBondContact O-N 3.22Å
414	Y	96.8	Very high	95.4	Very high	19 Å²	19	45 Å²	45	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.2	167.3	73	-90.4	0	0	0	112	H372 N373 T375 I416 Q420 R421 N422	H372-Y414 PolarHBondContact N-O 2.83Å; N373-Y414 HydrophobicContact CB-CD1 4.22Å; N373-Y414 HydrophobicContact CB-CE1 3.46Å; N373-Y414 VanDerWaalsContact CB-CE1 3.46Å; N373-Y414 HydrophobicContact CB-CE2 4.29Å; N373-Y414 PolarHBondContact N-O 2.96Å; N373-Y414 PolarHBondContact O-N 2.92Å; T375-Y414 WeakPolarHBondContact OG1-CD1 3.31Å; Y414-I416 HydrophobicContact CD2-CG1 4.2Å; Y414-I416 HydrophobicContact CE2-CD1 4.17Å; Y414-I416 HydrophobicContact CE2-CG1 3.99Å; Y414-Q420 HydrophobicContact CD2-CG 4.09Å; Y414-R421 WeakPolarHBondContact CA-O 3.4Å; Y414-N422 VanDerWaalsContact CB-OD1 3.31Å; Y414-N422 WeakPolarHBondContact CB-OD1 3.42Å
415	I	95.6	Very high	95.5	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.8	173.7	-166.1	158.4	0	0	0	109.6	F341 P344 Q420 R421	F341-I415 HydrophobicContact CB-CD1 3.94Å; F341-I415 HydrophobicContact CB-CG2 4.41Å; F341-I415 HydrophobicContact CD1-CD1 3.76Å; F341-I415 HydrophobicContact CE1-CD1 4.46Å; F341-I415 HydrophobicContact CG-CD1 3.87Å; P344-I415 HydrophobicContact CG-CB 4.02Å; P344-I415 HydrophobicContact CG-CG2 3.92Å; I415-Q420 WeakPolarHBondContact O-CA 3.49Å; I415-R421 HydrophobicContact CG2-CB 4.04Å; I415-R421 PolarHBondContact N-O 3.5Å; I415-R421 PolarHBondContact O-N 3.29Å
416	I	93.6	Very high	95.6	Very high	95 Å²	95	40.7 Å²	40.7	49%	0.487	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	99.6	176.2	-52	176.4	0	0	0	106.7	H372 Y414	H372-I416 PolarHBondContact CE1-O 3.01Å; H372-I416 PolarHBondContact ND1-N 3.41Å; Y414-I416 HydrophobicContact CD2-CG1 4.2Å; Y414-I416 HydrophobicContact CE2-CD1 4.17Å; Y414-I416 HydrophobicContact CE2-CG1 3.99Å
417	A	91.1	Very high	95.6	Very high	25 Å²	25	41.6 Å²	41.6	21%	0.207	23%	0.227	C	C	.	.	S	Bend	trans	-101.6	-144	178.8	0	0	0	0	0	109.2	D340 F341 V419	D340-A417 VanDerWaalsContact OD2-CB 3.29Å; D340-A417 WeakPolarHBondContact OD2-CB 3.43Å; F341-A417 HydrophobicContact CB-CB 3.94Å; F341-A417 HydrophobicContact CD2-CB 4.06Å; F341-A417 HydrophobicContact CG-CB 4.48Å; A417-V419 CarbonylContact C-O 3.58Å; A417-V419 WeakPolarHBondContact CA-O 3.39Å; A417-V419 WeakPolarHBondContact CB-O 3.43Å; A417-V419 PolarHBondContact N-O 3.19Å; A417-V419 PolarHBondContact O-N 3.12Å
418	K	90.4	Very high	95.7	Very high	124 Å²	124	42.5 Å²	42.5	54%	0.539	23%	0.234	S	C	.	.	S	Bend	trans	-60.7	-27.2	164.9	-63	169.1	-173.4	166.5	0	111.8	V266 A269 D340	V266-K418 HydrophobicContact CB-CB 4.49Å; A269-K418 HydrophobicContact CB-CD 4Å; D340-K418 HydrophobicContact CB-CD 4.32Å; D340-K418 VanDerWaalsContact OD2-CB 3.24Å; D340-K418 WeakPolarHBondContact OD2-CB 3.3Å; D340-K418 WeakPolarHBondContact OD2-CG 3.41Å; D340-K418 PolarHBondContact OD2-N 2.95Å
419	V	93.7	Very high	95.6	Very high	39 Å²	39	45.5 Å²	45.5	24%	0.236	24%	0.244	C	C	.	.	S	Bend	trans	-131	158.3	167	-61.7	0	0	0	0	109	V266 A417 R421	V266-V419 HydrophobicContact CB-CG1 4.46Å; V266-V419 HydrophobicContact CG2-CG1 4.19Å; A417-V419 CarbonylContact C-O 3.58Å; A417-V419 WeakPolarHBondContact CA-O 3.39Å; A417-V419 WeakPolarHBondContact CB-O 3.43Å; A417-V419 PolarHBondContact N-O 3.19Å; A417-V419 PolarHBondContact O-N 3.12Å; V419-R421 HydrophobicContact CG2-CG 4.2Å; V419-R421 PolarHBondContact O-N 3.12Å
420	Q	93.8	Very high	95.6	Very high	108 Å²	108	46.1 Å²	46.1	51%	0.505	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.7	170	-179.7	175.3	-33.7	0	0	110	Y414 I415 N422	Y414-Q420 HydrophobicContact CD2-CG 4.09Å; I415-Q420 WeakPolarHBondContact O-CA 3.49Å; Q420-N422 PolarHBondContact NE2-OD1 3.01Å
421	R	93.7	Very high	95.6	Very high	25 Å²	25	48.7 Å²	48.7	9%	0.094	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.1	172.3	-59.2	-172.1	-166.9	-82.9	-20.8	110.4	V266 E267 D270 F341 Y414 I415 V419	V266-R421 PolarHBondContact O-NH2 2.89Å; E267-R421 PolarHBondContact O-NH1 3.25Å; E267-R421 PolarHBondContact O-NH2 2.91Å; D270-R421 IonicContact OD1-CZ 3.75Å; D270-R421 IonicContact OD1-NH1 3.42Å; D270-R421 PolarHBondContact OD1-NH1 3.26Å; D270-R421 VanDerWaalsContact OD1-NH1 3.11Å; D270-R421 IonicContact OD1-NH2 2.56Å; D270-R421 WeakPolarHBondContact OD2-CD 3.5Å; D270-R421 IonicContact OD2-CZ 2.63Å; D270-R421 IonicContact OD2-NE 3.85Å; D270-R421 PolarHBondContact OD2-NE 3.34Å; D270-R421 IonicContact OD2-NH1 2.64Å; D270-R421 PolarHBondContact OD2-NH1 2.7Å; F341-R421 WeakPolarHBondContact O-CD 3.47Å; F341-R421 PolarHBondContact O-NE 2.76Å; Y414-R421 WeakPolarHBondContact CA-O 3.4Å; I415-R421 HydrophobicContact CG2-CB 4.04Å; I415-R421 PolarHBondContact N-O 3.5Å; I415-R421 PolarHBondContact O-N 3.29Å; V419-R421 HydrophobicContact CG2-CG 4.2Å; V419-R421 PolarHBondContact O-N 3.12Å
422	N	95.7	Very high	95.5	Very high	77 Å²	77	48.9 Å²	48.9	41%	0.412	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	141.5	174.8	-62.5	-12.4	0	0	0	109.2	S343 Y414 Q420	S343-N422 WeakPolarHBondContact CB-O 3.2Å; S343-N422 PolarHBondContact OG-O 2.88Å; Y414-N422 VanDerWaalsContact CB-OD1 3.31Å; Y414-N422 WeakPolarHBondContact CB-OD1 3.42Å; Q420-N422 PolarHBondContact NE2-OD1 3.01Å
423	G	94.6	Very high	95.4	Very high	13 Å²	13	53 Å²	53	13%	0.134	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-178.9	170.4	0	0	0	0	0	112.3	P344 A413	P344-G423 WeakPolarHBondContact O-CA 3.35Å; A413-G423 PolarHBondContact O-N 3.22Å
424	S	95.8	Very high	95.4	Very high	72 Å²	72	54.2 Å²	54.2	50%	0.503	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	153.3	169.6	-169.3	0	0	0	0	111.2	E346 H412	E346-S424 WeakPolarHBondContact OE1-CB 3.26Å; E346-S424 PolarHBondContact OE1-OG 2.88Å; H412-S424 WeakPolarHBondContact CB-O 3.3Å
425	A	96.8	Very high	95.4	Very high	31 Å²	31	53.6 Å²	53.6	26%	0.256	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	105.8	-171.1	0	0	0	0	0	111.5	E346 L411 H412 M427	E346-A425 PolarHBondContact OE1-N 3.42Å; L411-A425 CarbonylContact O-C 3.57Å; L411-A425 WeakPolarHBondContact O-CA 3.34Å; H412-A425 HydrophobicContact CB-CB 3.94Å; A425-M427 PolarHBondContact O-N 3.04Å
426	A	97.5	Very high	95.5	Very high	9 Å²	9	57 Å²	57	7%	0.074	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	134.3	172.1	0	0	0	0	0	110.2	E346 P347 I349 S410 L411	E346-A426 HydrophobicContact CG-CB 3.82Å; P347-A426 WeakPolarHBondContact O-CB 3.42Å; I349-A426 HydrophobicContact CD1-CB 3.74Å; I349-A426 HydrophobicContact CG1-CB 3.87Å; S410-A426 WeakPolarHBondContact CA-O 3.12Å; L411-A426 PolarHBondContact N-O 3.14Å; L411-A426 PolarHBondContact O-N 2.89Å
427	M	97	Very high	95.6	Very high	134 Å²	134	52.8 Å²	52.8	66%	0.66	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.2	-179.4	-65	-173.2	-173.6	0	0	112	L409 A425	L409-M427 VanDerWaalsContact O-CA 3.27Å; L409-M427 WeakPolarHBondContact O-CA 3.22Å; A425-M427 PolarHBondContact O-N 3.04Å
428	C	97.3	Very high	95.8	Very high	23 Å²	23	53.3 Å²	53.3	16%	0.155	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	172	171.4	74.6	0	0	0	0	109.2	I349 C352 L409	I349-C428 HydrophobicContact CD1-CB 3.98Å; I349-C428 HydrophobicContact CG2-CB 4.29Å; C352-C428 HydrophobicContact CB-CB 4.29Å; C352-C428 WeakPolarHBondContact CB-SG 3.12Å; C352-C428 WeakPolarHBondContact SG-CB 3.09Å; C352-C428 CovalentContact SG-SG 2.03Å; C352-C428 PolarHBondContact SG-SG 2.79Å; L409-C428 PolarHBondContact N-O 2.84Å; L409-C428 PolarHBondContact O-N 2.87Å; L409-C428 VanDerWaalsContact O-N 3.16Å
429	H	97.1	Very high	96.1	Very high	115 Å²	115	51.7 Å²	51.7	53%	0.532	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154.8	176.5	69.9	-90.7	0	0	0	112.7	K406 Y407 V408	K406-H429 WeakPolarHBondContact CE-CD2 3.36Å; Y407-H429 VanDerWaalsContact O-CA 3.24Å; Y407-H429 WeakPolarHBondContact O-CA 3.49Å; Y407-H429 VanDerWaalsContact O-CB 3.31Å; Y407-H429 WeakPolarHBondContact O-CB 3.44Å; V408-H429 HydrophobicContact CG2-CB 4.14Å
430	F	97.1	Very high	96.2	Very high	14 Å²	14	50 Å²	50	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	167.3	168.3	57.7	-107.1	0	0	0	110.4	C352 L401 Y407 L409 T432	C352-F430 HydrophobicContact CB-CD1 4.13Å; C352-F430 HydrophobicContact CB-CE1 4.36Å; L401-F430 HydrophobicContact CD1-CE2 3.86Å; L401-F430 HydrophobicContact CD1-CZ 3.96Å; Y407-F430 HydrophobicContact CD2-CE2 4.28Å; Y407-F430 HydrophobicContact CG-CE2 4.42Å; Y407-F430 PolarHBondContact N-O 2.62Å; Y407-F430 PolarHBondContact O-N 2.64Å; L409-F430 HydrophobicContact CD1-CE1 3.91Å; L409-F430 HydrophobicContact CG-CE1 4.27Å; F430-T432 HydrophobicContact CE2-CG2 4.13Å
431	T	96.3	Very high	96.2	Very high	71 Å²	71	51.5 Å²	51.5	44%	0.436	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.6	165.9	-54.5	0	0	0	0	108	T405	T405-T431 WeakPolarHBondContact O-CA 3.31Å
432	T	96.6	Very high	96.2	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.025	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-66.6	156.2	175	48.5	0	0	0	0	111.6	S354 A357 L401 K402 Y404 T405 Y407 F430	S354-T432 WeakPolarHBondContact OG-CA 3.5Å; A357-T432 WeakPolarHBondContact O-CB 3.44Å; L401-T432 HydrophobicContact CB-CG2 3.91Å; L401-T432 HydrophobicContact CD1-CG2 3.89Å; K402-T432 PolarHBondContact O-OG1 3.36Å; Y404-T432 WeakPolarHBondContact CA-O 3.34Å; Y404-T432 PolarHBondContact N-OG1 2.87Å; Y404-T432 VanDerWaalsContact N-OG1 3.11Å; T405-T432 PolarHBondContact N-OG1 2.89Å; T405-T432 PolarHBondContact O-N 2.85Å; T405-T432 PolarHBondContact O-OG1 3.11Å; Y407-T432 HydrophobicContact CD2-CG2 4.05Å; Y407-T432 HydrophobicContact CE2-CG2 4Å; F430-T432 HydrophobicContact CE2-CG2 4.13Å
433	K	96.6	Very high	96.3	Very high	114 Å²	114	51.9 Å²	51.9	50%	0.496	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-63.7	156	173.4	-58	-60.1	-175	175.7	0	111.2	S354 E355 A357 P403 Y404	S354-K433 WeakPolarHBondContact O-CE 3.35Å; E355-K433 WeakPolarHBondContact O-CG 3.3Å; A357-K433 WeakPolarHBondContact CA-O 3.39Å; A357-K433 HydrophobicContact CB-CB 4.26Å; A357-K433 WeakPolarHBondContact CB-O 3.36Å; P403-K433 WeakPolarHBondContact CA-O 3.41Å; Y404-K433 PolarHBondContact N-O 3.41Å
434	S	96.8	Very high	96.4	Very high	24 Å²	24	54.2 Å²	54.2	17%	0.168	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-68.8	162.1	167.2	38.9	0	0	0	0	111.6	A357 N464 D512	A357-S434 WeakPolarHBondContact CB-O 3.36Å; S434-N464 CarbonylContact C-O 3.59Å; S434-N464 WeakPolarHBondContact CA-O 3.16Å; S434-N464 WeakPolarHBondContact CB-O 3.35Å; S434-D512 WeakPolarHBondContact CB-OD2 3.27Å; S434-D512 PolarHBondContact OG-OD2 2.99Å
435	A	96.6	Very high	96.5	Very high	7 Å²	7	51.9 Å²	51.9	6%	0.058	27%	0.274	C	S	.	.			trans	-147.1	171.8	179	0	0	0	0	0	109.6	A357 P403 N464 N510 Y513	A357-A435 HydrophobicContact CB-CB 3.77Å; P403-A435 HydrophobicContact CB-CB 3.79Å; P403-A435 HydrophobicContact CG-CB 3.74Å; A435-N464 HydrophobicContact CB-CB 4.21Å; A435-N464 PolarHBondContact N-O 3.1Å; A435-N464 WeakPolarHBondContact O-CB 3.38Å; A435-N510 PolarHBondContact O-ND2 3.48Å; A435-Y513 VanDerWaalsContact C-CD2 3.44Å
436	P	96.8	Very high	96.4	Very high	73 Å²	73	53 Å²	53	47%	0.474	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-50.2	133.3	166	-29.5	37.4	0	0	0	111.9	N464 Y513	P436-N464 PolarHBondContact O-ND2 3.11Å; P436-Y513 HydrophobicContact CG-CD1 4.42Å; P436-Y513 HydrophobicContact CG-CG 4.34Å
437	P	96.8	Very high	96.3	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.039	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-68.6	158.8	171.2	27.4	-30.2	0	0	0	110.8	D462 F508 N510 G515	P437-D462 CarbonylContact C-O 3.54Å; P437-D462 VanDerWaalsContact CA-O 3.29Å; P437-D462 WeakPolarHBondContact CA-O 3.31Å; P437-D462 WeakPolarHBondContact CB-O 3.4Å; P437-F508 HydrophobicContact CB-CD1 3.67Å; P437-F508 HydrophobicContact CB-CE1 4.34Å; P437-F508 HydrophobicContact CG-CB 4.44Å; P437-F508 HydrophobicContact CG-CD1 3.76Å; P437-F508 WeakPolarHBondContact CG-O 3.35Å; P437-N510 HydrophobicContact CG-CB 4.43Å; P437-G515 WeakPolarHBondContact O-CA 3.38Å
438	S	96.1	Very high	96.1	Very high	37 Å²	37	53.9 Å²	53.9	26%	0.259	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-61.9	159.3	170.7	82.8	0	0	0	0	110.8	P460 R461 D462	S438-P460 WeakPolarHBondContact O-CB 3.26Å; S438-P460 VanDerWaalsContact OG-CB 3.24Å; S438-P460 WeakPolarHBondContact OG-CB 3.34Å; S438-R461 PolarHBondContact OG-N 3.27Å; S438-D462 PolarHBondContact N-O 3.49Å; S438-D462 PolarHBondContact OG-N 2.68Å
439	Q	96.4	Very high	95.9	Very high	90 Å²	90	55.1 Å²	55.1	42%	0.421	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-53.6	147.1	167.4	-172.8	174.8	-18.9	0	0	110.9	F518	Q439-F518 HydrophobicContact CG-CB 3.98Å; Q439-F518 HydrophobicContact CG-CD2 4.1Å; Q439-F518 HydrophobicContact CG-CG 4.48Å
440	V	96	Very high	95.6	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-65.5	150	176.8	-65.6	0	0	0	0	111.3	C457 Y470 A506 F508 F518	V440-C457 HydrophobicContact CB-CB 4.28Å; V440-C457 VanDerWaalsContact CB-SG 3.54Å; V440-C457 HydrophobicContact CG2-CB 4.17Å; V440-Y470 HydrophobicContact CG1-CD1 4.16Å; V440-Y470 HydrophobicContact CG1-CE1 4.26Å; V440-A506 HydrophobicContact CG2-CB 4.3Å; V440-A506 WeakPolarHBondContact CG2-O 3.4Å; V440-F508 HydrophobicContact CG1-CB 3.93Å; V440-F518 HydrophobicContact CG2-CB 3.62Å; V440-F518 HydrophobicContact CG2-CG 4.47Å; V440-F518 WeakPolarHBondContact O-CD2 3.39Å
441	W	92.8	Very high	95.4	Very high	140 Å²	140	52.2 Å²	52.2	53%	0.53	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	144.3	-172.5	-171.2	-101.9	0	0	0	112.7	M443 R458	W441-M443 PolarHBondContact O-N 2.75Å; W441-R458 HydrophobicContact CB-CB 4.17Å; W441-R458 PolarHBondContact N-O 3.03Å; W441-R458 VanDerWaalsContact N-O 3.14Å; W441-R458 WeakPolarHBondContact O-CB 3.45Å; W441-R458 PolarHBondContact O-N 2.88Å
442	N	94.4	Very high	95.3	Very high	102 Å²	102	49.4 Å²	49.4	55%	0.545	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	45.5	58.5	173.8	-165.7	10.6	0	0	0	113.3
443	M	96.9	Very high	95.3	Very high	9 Å²	9	49.3 Å²	49.3	4%	0.044	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	142.4	172.6	-171.6	-172.5	172.3	0	0	110	W441 V445 V455 K456 C457 L472 F504 A506 F518 L520	W441-M443 PolarHBondContact O-N 2.75Å; M443-V445 HydrophobicContact CE-CG2 4.13Å; M443-V455 HydrophobicContact CE-CG1 3.59Å; M443-K456 CarbonylContact C-O 3.46Å; M443-K456 WeakPolarHBondContact CA-O 3.29Å; M443-C457 HydrophobicContact CB-CB 4.1Å; M443-C457 HydrophobicContact CG-CB 4.31Å; M443-L472 HydrophobicContact CE-CD1 4.37Å; M443-F504 HydrophobicContact CE-CB 3.74Å; M443-A506 HydrophobicContact CE-CB 3.68Å; M443-A506 HydrophobicContact CG-CB 4.4Å; M443-A506 HydrophobicContact SD-CB 3.69Å; M443-F518 HydrophobicContact CB-CB 4.22Å; M443-F518 HydrophobicContact CB-CD1 3.55Å; M443-F518 HydrophobicContact CB-CD2 4.04Å; M443-F518 HydrophobicContact CB-CE1 3.89Å; M443-F518 HydrophobicContact CB-CE2 4.33Å; M443-F518 HydrophobicContact CB-CG 3.65Å; M443-F518 HydrophobicContact CB-CZ 4.26Å; M443-F518 HydrophobicContact CG-CD1 4.16Å; M443-F518 HydrophobicContact CG-CG 4.43Å; M443-F518 HydrophobicContact SD-CB 3.78Å; M443-F518 HydrophobicContact SD-CD1 3.54Å; M443-F518 VanDerWaalsContact SD-CD1 3.54Å; M443-F518 HydrophobicContact SD-CE1 4.48Å; M443-F518 HydrophobicContact SD-CG 3.91Å; M443-F518 VanDerWaalsContact SD-O 3.36Å; M443-L520 HydrophobicContact CB-CD1 4.12Å; M443-L520 HydrophobicContact CE-CB 4.48Å; M443-L520 HydrophobicContact CE-CD1 4.5Å; M443-L520 HydrophobicContact CG-CD1 3.88Å; M443-L520 HydrophobicContact SD-CD1 4.07Å; M443-L520 HydrophobicContact SD-CG 4.21Å
444	T	96.9	Very high	95.3	Very high	61 Å²	61	44.7 Å²	44.7	37%	0.374	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140	178.1	49.4	0	0	0	0	109.5	V455 K456	T444-V455 WeakPolarHBondContact O-CA 3.32Å; T444-K456 PolarHBondContact N-O 2.83Å; T444-K456 PolarHBondContact O-N 3.03Å; T444-K456 PolarHBondContact OG1-O 2.82Å
445	V	97.5	Very high	95.4	Very high	23 Å²	23	43.6 Å²	43.6	14%	0.139	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.2	169.8	-177.9	0	0	0	0	106.6	M443 M453 V455 F504 L520 H522	M443-V445 HydrophobicContact CE-CG2 4.13Å; V445-M453 HydrophobicContact CG1-CB 4.12Å; V445-M453 HydrophobicContact CG1-CG 4.18Å; V445-M453 HydrophobicContact CG1-SD 4.2Å; V445-V455 HydrophobicContact CG1-CG2 4.32Å; V445-V455 HydrophobicContact CG2-CG1 4.29Å; V445-V455 HydrophobicContact CG2-CG2 4.16Å; V445-F504 HydrophobicContact CG1-CD2 4Å; V445-F504 HydrophobicContact CG1-CE2 3.97Å; V445-F504 HydrophobicContact CG1-CG 4.43Å; V445-F504 HydrophobicContact CG1-CZ 4.37Å; V445-F504 HydrophobicContact CG2-CB 4.04Å; V445-F504 HydrophobicContact CG2-CD2 4.05Å; V445-F504 HydrophobicContact CG2-CG 4.03Å; V445-L520 HydrophobicContact CG2-CB 3.93Å; V445-L520 HydrophobicContact CG2-CD1 3.95Å; V445-H522 HydrophobicContact CB-CB 4.41Å; V445-H522 HydrophobicContact CG1-CB 3.77Å
446	S	95.8	Very high	95.4	Very high	54 Å²	54	47.4 Å²	47.4	38%	0.378	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	133.2	-176.7	54.4	0	0	0	0	111.3	M453 H454	S446-M453 CarbonylContact O-C 3.51Å; S446-M453 WeakPolarHBondContact O-CA 3.14Å; S446-H454 PolarHBondContact N-O 3.14Å; S446-H454 PolarHBondContact O-N 2.02Å; S446-H454 PolarHBondContact OG-O 3.23Å; S446-H454 VanDerWaalsContact OG-O 3.05Å
447	M	94.3	Very high	95.4	Very high	80 Å²	80	44.7 Å²	44.7	39%	0.394	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133	-179.8	-165.8	-178.8	-67.5	0	0	111.1	S449 M453 S523	M447-S449 WeakPolarHBondContact CG-O 3.48Å; M447-M453 HydrophobicContact CB-SD 3.96Å; M447-M453 HydrophobicContact CE-CE 4.04Å; M447-M453 HydrophobicContact CG-CE 4.43Å; M447-M453 HydrophobicContact CG-SD 4.22Å; M447-S523 WeakPolarHBondContact CE-O 3.34Å
448	T	93.4	Very high	95.4	Very high	83 Å²	83	52.5 Å²	52.5	51%	0.509	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-18.9	178.3	44.8	0	0	0	0	113.4	S452 H454	T448-S452 PolarHBondContact N-O 2.98Å; T448-S452 VanDerWaalsContact OG1-C 3.31Å; T448-S452 PolarHBondContact OG1-O 2.95Å; T448-S452 PolarHBondContact OG1-OG 2.71Å; T448-H454 HydrophobicContact CG2-CB 3.74Å
449	S	92.1	Very high	95.3	Very high	49 Å²	49	53.5 Å²	53.5	34%	0.343	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	171.3	163.2	70.2	0	0	0	0	108.3	M447 N451 S452	M447-S449 WeakPolarHBondContact CG-O 3.48Å; S449-N451 PolarHBondContact O-N 2.84Å; S449-N451 PolarHBondContact OG-OD1 2.86Å; S449-S452 PolarHBondContact N-O 3.14Å; S449-S452 PolarHBondContact N-OG 2.9Å; S449-S452 PolarHBondContact O-N 2.87Å; S449-S452 WeakPolarHBondContact OG-CB 3.42Å; S449-S452 PolarHBondContact OG-N 3.43Å; S449-S452 PolarHBondContact OG-OG 3.29Å
450	D	90.9	Very high	95.3	Very high	39 Å²	39	49.6 Å²	49.6	21%	0.209	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.8	-34.2	177.5	-59.4	3.1	0	0	0	113.8	Y498 T524 S525 S528	D450-Y498 HydrophobicContact CB-CD1 4Å; D450-Y498 HydrophobicContact CB-CE1 3.74Å; D450-T524 WeakPolarHBondContact O-CB 3.37Å; D450-S525 PolarHBondContact O-N 2.85Å; D450-S528 VanDerWaalsContact OD2-CB 3.27Å; D450-S528 WeakPolarHBondContact OD2-CB 3.28Å; D450-S528 PolarHBondContact OD2-N 3.32Å; D450-S528 PolarHBondContact OD2-OG 3.41Å
451	N	93.3	Very high	95.1	Very high	28 Å²	28	57.7 Å²	57.7	15%	0.15	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128	30.5	179.7	75.3	-35.1	0	0	0	115.2	S449 D495 L496 Y498	S449-N451 PolarHBondContact O-N 2.84Å; S449-N451 PolarHBondContact OG-OD1 2.86Å; N451-D495 PolarHBondContact O-N 3.29Å; N451-L496 HydrophobicContact CB-CB 4.46Å; N451-L496 WeakPolarHBondContact CB-O 3.33Å; N451-L496 PolarHBondContact ND2-O 2.62Å; N451-L496 WeakPolarHBondContact O-CB 3.31Å; N451-L496 PolarHBondContact O-N 2.92Å; N451-L496 VanDerWaalsContact O-N 3.13Å; N451-Y498 HydrophobicContact CB-CD1 4.03Å; N451-Y498 HydrophobicContact CB-CE1 3.71Å
452	S	94.9	Very high	95.1	Very high	13 Å²	13	53.7 Å²	53.7	9%	0.091	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143.5	172.9	70	0	0	0	0	114.6	T448 S449 V493	T448-S452 PolarHBondContact N-O 2.98Å; T448-S452 VanDerWaalsContact OG1-C 3.31Å; T448-S452 PolarHBondContact OG1-O 2.95Å; T448-S452 PolarHBondContact OG1-OG 2.71Å; S449-S452 PolarHBondContact N-O 3.14Å; S449-S452 PolarHBondContact N-OG 2.9Å; S449-S452 PolarHBondContact O-N 2.87Å; S449-S452 WeakPolarHBondContact OG-CB 3.42Å; S449-S452 PolarHBondContact OG-N 3.43Å; S449-S452 PolarHBondContact OG-OG 3.29Å; S452-V493 CarbonylContact C-O 3.58Å; S452-V493 VanDerWaalsContact CA-O 3.26Å; S452-V493 WeakPolarHBondContact CA-O 3.06Å; S452-V493 WeakPolarHBondContact CB-O 3.34Å
453	M	95.7	Very high	95.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.5	-179.7	-60.5	-60.5	179.8	0	0	111.6	V445 S446 M447 V493 L496 F504 H522 S523 T524	V445-M453 HydrophobicContact CG1-CB 4.12Å; V445-M453 HydrophobicContact CG1-CG 4.18Å; V445-M453 HydrophobicContact CG1-SD 4.2Å; S446-M453 CarbonylContact O-C 3.51Å; S446-M453 WeakPolarHBondContact O-CA 3.14Å; M447-M453 HydrophobicContact CB-SD 3.96Å; M447-M453 HydrophobicContact CE-CE 4.04Å; M447-M453 HydrophobicContact CG-CE 4.43Å; M447-M453 HydrophobicContact CG-SD 4.22Å; M453-V493 PolarHBondContact N-O 3.25Å; M453-V493 PolarHBondContact O-N 2.94Å; M453-L496 HydrophobicContact CG-CD1 3.91Å; M453-F504 HydrophobicContact CB-CE1 4.29Å; M453-F504 HydrophobicContact CB-CZ 4.15Å; M453-F504 HydrophobicContact CG-CE1 4.34Å; M453-F504 HydrophobicContact CG-CE2 4.4Å; M453-F504 HydrophobicContact CG-CZ 3.71Å; M453-H522 HydrophobicContact CE-CB 4.27Å; M453-H522 VanDerWaalsContact CE-ND1 3.34Å; M453-H522 WeakPolarHBondContact CE-ND1 3.33Å; M453-S523 WeakPolarHBondContact CE-O 3.18Å; M453-T524 HydrophobicContact CE-CG2 4.05Å
454	H	97.7	Very high	95	Very high	18 Å²	18	54.5 Å²	54.5	8%	0.083	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115	164.2	-159	161.3	0	0	0	108.5	S446 T448 K456 D490 F491 R492	S446-H454 PolarHBondContact N-O 3.14Å; S446-H454 PolarHBondContact O-N 2.02Å; S446-H454 PolarHBondContact OG-O 3.23Å; S446-H454 VanDerWaalsContact OG-O 3.05Å; T448-H454 HydrophobicContact CG2-CB 3.74Å; H454-K456 WeakPolarHBondContact CE1-CE 3.27Å; H454-K456 VanDerWaalsContact NE2-CE 3.26Å; H454-K456 WeakPolarHBondContact NE2-CE 3.21Å; H454-D490 IonicContact CD2-OD1 3.79Å; H454-D490 IonicContact CE1-OD1 3.41Å; H454-D490 IonicContact CE1-OD2 2.68Å; H454-D490 IonicContact NE2-OD1 3.59Å; H454-D490 PolarHBondContact NE2-OD1 2.84Å; H454-D490 IonicContact NE2-OD2 3.39Å; H454-D490 PolarHBondContact NE2-OD2 2.88Å; H454-D490 VanDerWaalsContact NE2-OD2 3.1Å; H454-F491 PolarHBondContact CD2-O 3.05Å; H454-R492 PolarHBondContact CE1-NE 3.21Å
455	V	97.7	Very high	94.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.1	176	-173.7	0	0	0	0	109.1	M443 T444 V445 L472 F491 V493 F504	M443-V455 HydrophobicContact CE-CG1 3.59Å; T444-V455 WeakPolarHBondContact O-CA 3.32Å; V445-V455 HydrophobicContact CG1-CG2 4.32Å; V445-V455 HydrophobicContact CG2-CG1 4.29Å; V445-V455 HydrophobicContact CG2-CG2 4.16Å; V455-L472 HydrophobicContact CB-CD2 3.92Å; V455-L472 HydrophobicContact CG1-CD1 4.15Å; V455-L472 HydrophobicContact CG1-CD2 4.17Å; V455-L472 HydrophobicContact CG2-CD2 3.87Å; V455-F491 HydrophobicContact CB-CB 4.34Å; V455-F491 PolarHBondContact N-O 2.79Å; V455-F491 PolarHBondContact O-N 2.96Å; V455-V493 HydrophobicContact CG2-CG2 4.37Å; V455-F504 HydrophobicContact CG2-CD1 3.76Å; V455-F504 HydrophobicContact CG2-CE1 4.16Å; V455-F504 HydrophobicContact CG2-CG 4.39Å
456	K	97.6	Very high	94.5	Very high	88 Å²	88	53.3 Å²	53.3	38%	0.383	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.1	175.7	-57.1	-170.9	-174.9	-151.9	0	111.7	M443 T444 H454 C489 D490	M443-K456 CarbonylContact C-O 3.46Å; M443-K456 WeakPolarHBondContact CA-O 3.29Å; T444-K456 PolarHBondContact N-O 2.83Å; T444-K456 PolarHBondContact O-N 3.03Å; T444-K456 PolarHBondContact OG1-O 2.82Å; H454-K456 WeakPolarHBondContact CE1-CE 3.27Å; H454-K456 VanDerWaalsContact NE2-CE 3.26Å; H454-K456 WeakPolarHBondContact NE2-CE 3.21Å; K456-C489 VanDerWaalsContact CA-O 3.32Å; K456-C489 WeakPolarHBondContact CA-O 3.46Å; K456-D490 WeakPolarHBondContact CE-OD2 3.22Å; K456-D490 IonicContact NZ-OD2 3.64Å; K456-D490 PolarHBondContact NZ-OD2 3.39Å; K456-D490 VanDerWaalsContact NZ-OD2 3.11Å
457	C	96.8	Very high	94.4	Very high	16 Å²	16	56.4 Å²	56.4	11%	0.108	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	175.3	167.6	76.6	0	0	0	0	111.8	V440 M443 C489	V440-C457 HydrophobicContact CB-CB 4.28Å; V440-C457 VanDerWaalsContact CB-SG 3.54Å; V440-C457 HydrophobicContact CG2-CB 4.17Å; M443-C457 HydrophobicContact CB-CB 4.1Å; M443-C457 HydrophobicContact CG-CB 4.31Å; C457-C489 HydrophobicContact CB-CB 4.07Å; C457-C489 WeakPolarHBondContact CB-SG 3.26Å; C457-C489 PolarHBondContact N-O 2.73Å; C457-C489 VanDerWaalsContact N-O 3.14Å; C457-C489 PolarHBondContact N-SG 3Å; C457-C489 WeakPolarHBondContact O-CB 3.37Å; C457-C489 WeakPolarHBondContact SG-CB 3.32Å; C457-C489 CovalentContact SG-SG 2.02Å; C457-C489 PolarHBondContact SG-SG 3.38Å
458	R	95.5	Very high	94.3	Very high	169 Å²	169	56.8 Å²	56.8	64%	0.638	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	158.6	170.4	-67.5	-64.2	-169.8	153.8	2	110.5	W441	W441-R458 HydrophobicContact CB-CB 4.17Å; W441-R458 PolarHBondContact N-O 3.03Å; W441-R458 VanDerWaalsContact N-O 3.14Å; W441-R458 WeakPolarHBondContact O-CB 3.45Å; W441-R458 PolarHBondContact O-N 2.88Å
459	P	94.7	Very high	94.5	Very high	59 Å²	59	57.2 Å²	57.2	38%	0.383	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-51.1	151.7	175.1	-26.3	34.2	0	0	0	113.1	Y470	P459-Y470 WeakPolarHBondContact CA-OH 3.22Å; P459-Y470 WeakPolarHBondContact CB-OH 3.36Å; P459-Y470 WeakPolarHBondContact CG-OH 3.35Å
460	P	95.4	Very high	94.8	Very high	7 Å²	7	55.2 Å²	55.2	5%	0.045	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-60.9	153.8	167.3	30.9	-37.5	0	0	0	110.5	S438 D462 R463 F508	S438-P460 WeakPolarHBondContact O-CB 3.26Å; S438-P460 VanDerWaalsContact OG-CB 3.24Å; S438-P460 WeakPolarHBondContact OG-CB 3.34Å; P460-D462 VanDerWaalsContact C-N 3.33Å; P460-R463 HydrophobicContact CG-CG 4.22Å; P460-F508 HydrophobicContact CG-CB 3.98Å; P460-F508 HydrophobicContact CG-CD1 3.69Å; P460-F508 HydrophobicContact CG-CD2 4.18Å; P460-F508 HydrophobicContact CG-CE1 4.11Å; P460-F508 HydrophobicContact CG-CG 3.71Å; P460-F508 HydrophobicContact CG-CZ 4.49Å
461	R	92.3	Very high	95.1	Very high	173 Å²	173	54.9 Å²	54.9	65%	0.653	25%	0.25	S	S	*	.	S	Bend	trans	-66.9	-40.2	175.1	-64.4	-174	-176.9	-162	1.6	110.8	S438	S438-R461 PolarHBondContact OG-N 3.27Å
462	D	93.2	Very high	95.3	Very high	56 Å²	56	53.6 Å²	53.6	30%	0.299	24%	0.243	S	C	.	.			trans	-123.5	111.4	-176	-64.6	-74.2	0	0	0	109.6	K402 P437 S438 P460	K402-D462 VanDerWaalsContact CE-OD1 3.27Å; K402-D462 WeakPolarHBondContact CE-OD1 3.37Å; K402-D462 IonicContact NZ-OD1 2.81Å; K402-D462 PolarHBondContact NZ-OD1 2.83Å; P437-D462 CarbonylContact C-O 3.54Å; P437-D462 VanDerWaalsContact CA-O 3.29Å; P437-D462 WeakPolarHBondContact CA-O 3.31Å; P437-D462 WeakPolarHBondContact CB-O 3.4Å; S438-D462 PolarHBondContact N-O 3.49Å; S438-D462 PolarHBondContact OG-N 2.68Å; P460-D462 VanDerWaalsContact C-N 3.33Å
463	R	93.6	Very high	95.5	Very high	107 Å²	107	54.8 Å²	54.8	40%	0.404	25%	0.248	S	C	.	.			trans	-83	-29.8	-175.4	-66.1	167.7	171.2	-155.4	-15.8	113	P460 G465 E468 F508 N510	P460-R463 HydrophobicContact CG-CG 4.22Å; R463-G465 PolarHBondContact O-N 3.24Å; R463-E468 IonicContact CZ-OE1 2.89Å; R463-E468 IonicContact CZ-OE2 2.66Å; R463-E468 IonicContact NE-OE2 3.23Å; R463-E468 VanDerWaalsContact NH1-CD 3.34Å; R463-E468 IonicContact NH1-OE1 2.74Å; R463-E468 PolarHBondContact NH1-OE1 3.21Å; R463-E468 IonicContact NH1-OE2 2.76Å; R463-E468 IonicContact NH2-OE1 2.7Å; R463-E468 PolarHBondContact NH2-OE1 2.91Å; R463-E468 IonicContact NH2-OE2 2.69Å; R463-E468 PolarHBondContact NH2-OE2 2.95Å; R463-F508 HydrophobicContact CB-CE1 4.17Å; R463-F508 HydrophobicContact CG-CE1 4.21Å; R463-F508 HydrophobicContact CG-CZ 4.25Å; R463-N510 WeakPolarHBondContact O-CB 3.14Å; R463-N510 PolarHBondContact O-ND2 3.45Å
464	N	94.8	Very high	95.5	Very high	21 Å²	21	54.8 Å²	54.8	11%	0.112	25%	0.248	C	C	.	.			trans	53.4	19.4	170.3	-60.9	-14.4	0	0	0	117	P403 S434 A435 P436 N510	P403-N464 HydrophobicContact CB-CB 3.75Å; P403-N464 HydrophobicContact CG-CB 4.29Å; S434-N464 CarbonylContact C-O 3.59Å; S434-N464 WeakPolarHBondContact CA-O 3.16Å; S434-N464 WeakPolarHBondContact CB-O 3.35Å; A435-N464 HydrophobicContact CB-CB 4.21Å; A435-N464 PolarHBondContact N-O 3.1Å; A435-N464 WeakPolarHBondContact O-CB 3.38Å; P436-N464 PolarHBondContact O-ND2 3.11Å; N464-N510 PolarHBondContact O-ND2 2.71Å
465	G	93.7	Very high	95.5	Very high	10 Å²	10	55.3 Å²	55.3	10%	0.103	25%	0.25	C	S	.	.	S	Bend	trans	-173.8	176	-177.5	0	0	0	0	0	114	R463 N510	R463-G465 PolarHBondContact O-N 3.24Å; G465-N510 PolarHBondContact N-ND2 2.91Å
466	P	91.8	Very high	95.3	Very high	48 Å²	48	56.2 Å²	56.2	31%	0.312	26%	0.257	S	S	.	.	S	Bend	trans	-79.6	-17.9	-165.6	30	-38.3	0	0	0	117	Y404 N510 D512	Y404-P466 HydrophobicContact CE1-CB 4.2Å; Y404-P466 HydrophobicContact CE2-CB 4.2Å; P466-N510 VanDerWaalsContact CD-O 3.22Å; P466-N510 WeakPolarHBondContact CD-O 3.38Å; P466-D512 WeakPolarHBondContact CD-OD2 3.37Å
467	H	92.5	Very high	94.8	Very high	119 Å²	119	55.4 Å²	55.4	55%	0.551	27%	0.274	S	S	*	.			trans	-124.9	164.3	-167.6	-61.7	-23.4	0	0	0	113	F508 N510	H467-F508 WeakPolarHBondContact O-CZ 3.36Å; H467-N510 PolarHBondContact N-O 2.91Å; H467-N510 CarbonylContact O-C 3.57Å; H467-N510 VanDerWaalsContact O-CA 3.31Å; H467-N510 WeakPolarHBondContact O-CA 3.44Å
468	E	93.4	Very high	94.2	Very high	88 Å²	88	61.9 Å²	61.9	41%	0.411	31%	0.308	S	S	.	.			trans	-124.6	111.1	179.3	-57.2	-155.1	-137.1	0	0	111.7	R463 F508	R463-E468 IonicContact CZ-OE1 2.89Å; R463-E468 IonicContact CZ-OE2 2.66Å; R463-E468 IonicContact NE-OE2 3.23Å; R463-E468 VanDerWaalsContact NH1-CD 3.34Å; R463-E468 IonicContact NH1-OE1 2.74Å; R463-E468 PolarHBondContact NH1-OE1 3.21Å; R463-E468 IonicContact NH1-OE2 2.76Å; R463-E468 IonicContact NH2-OE1 2.7Å; R463-E468 PolarHBondContact NH2-OE1 2.91Å; R463-E468 IonicContact NH2-OE2 2.69Å; R463-E468 PolarHBondContact NH2-OE2 2.95Å; E468-F508 HydrophobicContact CB-CE2 3.95Å; E468-F508 HydrophobicContact CB-CZ 4.02Å; E468-F508 HydrophobicContact CG-CE2 4.29Å; E468-F508 HydrophobicContact CG-CZ 3.98Å
469	R	96.9	Very high	94.1	Very high	92 Å²	92	58.2 Å²	58.2	35%	0.347	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137.4	169.6	-158.6	72.2	-179.1	-166.2	3.1	110.6	H471 S485 H486 F508 H509	R469-H471 WeakPolarHBondContact CG-NE2 3.34Å; R469-S485 PolarHBondContact NE-OG 2.84Å; R469-S485 PolarHBondContact NH2-O 2.78Å; R469-S485 PolarHBondContact NH2-OG 2.78Å; R469-H486 WeakPolarHBondContact CD-O 3.08Å; R469-F508 CarbonylContact O-C 3.55Å; R469-F508 WeakPolarHBondContact O-CA 3.36Å; R469-F508 VanDerWaalsContact O-CD2 3.22Å; R469-F508 WeakPolarHBondContact O-CD2 3.22Å; R469-H509 PolarHBondContact N-O 3.15Å; R469-H509 PolarHBondContact O-N 3.33Å
470	Y	97.7	Very high	94	Very high	8 Å²	8	59.5 Å²	59.5	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.2	169.4	-59.8	-93.4	0	0	0	108.4	V440 P459 S485 H486 K487 C489 Y507 F508	V440-Y470 HydrophobicContact CG1-CD1 4.16Å; V440-Y470 HydrophobicContact CG1-CE1 4.26Å; P459-Y470 WeakPolarHBondContact CA-OH 3.22Å; P459-Y470 WeakPolarHBondContact CB-OH 3.36Å; P459-Y470 WeakPolarHBondContact CG-OH 3.35Å; Y470-S485 CarbonylContact O-C 3.59Å; Y470-S485 WeakPolarHBondContact O-CA 2.99Å; Y470-S485 WeakPolarHBondContact O-CB 3.44Å; Y470-H486 PolarHBondContact N-O 3.18Å; Y470-H486 PolarHBondContact O-N 2.76Å; Y470-K487 WeakPolarHBondContact CD2-O 3.44Å; Y470-K487 VanDerWaalsContact CE2-O 3.31Å; Y470-K487 WeakPolarHBondContact CE2-O 3.48Å; Y470-C489 HydrophobicContact CD1-CB 3.5Å; Y470-C489 HydrophobicContact CD2-CB 4.34Å; Y470-C489 HydrophobicContact CE1-CB 3.9Å; Y470-C489 HydrophobicContact CG-CB 3.75Å; Y470-Y507 WeakPolarHBondContact CA-O 3.35Å; Y470-F508 HydrophobicContact CD1-CB 4.48Å; Y470-F508 AromaticContact CD1-CD2 3.88Å; Y470-F508 HydrophobicContact CD1-CD2 3.88Å; Y470-F508 HydrophobicContact CD2-CD2 4.29Å; Y470-F508 AromaticContact CE1-CD2 3.55Å; Y470-F508 HydrophobicContact CE1-CD2 3.55Å; Y470-F508 HydrophobicContact CE1-CE2 4.23Å; Y470-F508 HydrophobicContact CE1-CG 4.46Å; Y470-F508 AromaticContact CE2-CD2 3.96Å; Y470-F508 HydrophobicContact CE2-CD2 3.96Å; Y470-F508 AromaticContact CE2-CE2 3.97Å; Y470-F508 HydrophobicContact CE2-CE2 3.97Å; Y470-F508 HydrophobicContact CG-CD2 4.24Å; Y470-F508 AromaticContact CZ-CD2 3.57Å; Y470-F508 AromaticContact CZ-CE2 3.76Å
471	H	97.8	Very high	94	Very high	32 Å²	32	62.6 Å²	62.6	15%	0.148	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.6	177.1	-72.2	-119.2	0	0	0	109.1	R469 E484 A506 Y507	R469-H471 WeakPolarHBondContact CG-NE2 3.34Å; H471-E484 CarbonylContact C-O 3.46Å; H471-E484 WeakPolarHBondContact CA-O 3.32Å; H471-A506 VanDerWaalsContact O-CA 3.32Å; H471-A506 WeakPolarHBondContact O-CA 3.41Å; H471-Y507 HydrophobicContact CB-CD1 4.04Å; H471-Y507 HydrophobicContact CB-CD2 3.82Å; H471-Y507 HydrophobicContact CB-CE1 3.71Å; H471-Y507 HydrophobicContact CB-CE2 3.46Å; H471-Y507 VanDerWaalsContact CB-CE2 3.46Å; H471-Y507 HydrophobicContact CB-CG 4.1Å; H471-Y507 VanDerWaalsContact CB-CZ 3.41Å; H471-Y507 AromaticContact CG-CE2 3.61Å; H471-Y507 AromaticContact CG-CZ 3.83Å; H471-Y507 PolarHBondContact N-O 3.34Å; H471-Y507 AromaticContact ND1-CE2 4Å; H471-Y507 AromaticContact ND1-CZ 4Å; H471-Y507 PolarHBondContact O-N 2.55Å
472	L	98	Very high	94.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	113.5	173.2	175.9	62.8	0	0	0	109.2	M443 V455 V474 N483 E484 F491 V493 F504 K505 A506	M443-L472 HydrophobicContact CE-CD1 4.37Å; V455-L472 HydrophobicContact CB-CD2 3.92Å; V455-L472 HydrophobicContact CG1-CD1 4.15Å; V455-L472 HydrophobicContact CG1-CD2 4.17Å; V455-L472 HydrophobicContact CG2-CD2 3.87Å; L472-V474 HydrophobicContact CD1-CG2 4.49Å; L472-V474 HydrophobicContact CD2-CG2 4.32Å; L472-V474 HydrophobicContact CG-CG2 4.06Å; L472-N483 WeakPolarHBondContact O-CA 3.45Å; L472-E484 PolarHBondContact N-O 3.13Å; L472-E484 PolarHBondContact O-N 3.41Å; L472-F491 HydrophobicContact CB-CD1 3.8Å; L472-F491 HydrophobicContact CB-CD2 3.99Å; L472-F491 HydrophobicContact CB-CE1 3.76Å; L472-F491 HydrophobicContact CB-CE2 3.94Å; L472-F491 HydrophobicContact CB-CG 3.92Å; L472-F491 HydrophobicContact CB-CZ 3.83Å; L472-F491 HydrophobicContact CD2-CB 3.47Å; L472-F491 VanDerWaalsContact CD2-CB 3.47Å; L472-F491 HydrophobicContact CD2-CD1 4.11Å; L472-F491 HydrophobicContact CD2-CD2 3.98Å; L472-F491 HydrophobicContact CD2-CG 3.62Å; L472-F491 HydrophobicContact CG-CG 4.43Å; L472-V493 HydrophobicContact CD2-CG2 3.71Å; L472-F504 HydrophobicContact CD1-CB 4.2Å; L472-F504 HydrophobicContact CD1-CD1 4.42Å; L472-K505 WeakPolarHBondContact CA-O 3.26Å; L472-A506 HydrophobicContact CD1-CB 4.25Å
473	E	97.8	Very high	94.2	Very high	39 Å²	39	59.8 Å²	59.8	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137	169.1	-78.6	163.1	-158.5	0	0	109.4	L480 N483 K505 Y507	E473-L480 HydrophobicContact CB-CD1 3.7Å; E473-L480 HydrophobicContact CG-CD1 3.82Å; E473-N483 HydrophobicContact CG-CB 4.13Å; E473-N483 WeakPolarHBondContact CG-ND2 3.25Å; E473-N483 PolarHBondContact OE1-ND2 3.35Å; E473-K505 HydrophobicContact CB-CB 4.13Å; E473-K505 PolarHBondContact N-O 2.86Å; E473-K505 PolarHBondContact O-N 3.2Å; E473-Y507 HydrophobicContact CG-CE1 4.33Å; E473-Y507 WeakPolarHBondContact OE1-CE1 3.39Å; E473-Y507 PolarHBondContact OE1-OH 3.1Å
474	V	97.3	Very high	94.3	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.4	179.3	-169.7	0	0	0	0	108.3	L472 V481 R482 V493 Y502 T503 F504	L472-V474 HydrophobicContact CD1-CG2 4.49Å; L472-V474 HydrophobicContact CD2-CG2 4.32Å; L472-V474 HydrophobicContact CG-CG2 4.06Å; V474-V481 HydrophobicContact CB-CG2 4.23Å; V474-V481 HydrophobicContact CG1-CG2 4.1Å; V474-V481 WeakPolarHBondContact O-CG2 3.2Å; V474-V481 PolarHBondContact O-N 2.83Å; V474-R482 HydrophobicContact CB-CB 4.19Å; V474-R482 HydrophobicContact CG2-CB 4.38Å; V474-R482 PolarHBondContact N-O 3.45Å; V474-R482 PolarHBondContact O-N 2.82Å; V474-V493 HydrophobicContact CG2-CG1 4.43Å; V474-V493 HydrophobicContact CG2-CG2 4.19Å; V474-Y502 HydrophobicContact CG1-CD1 3.85Å; V474-Y502 HydrophobicContact CG1-CG 4.37Å; V474-T503 CarbonylContact C-O 3.41Å; V474-T503 WeakPolarHBondContact CA-O 3.33Å; V474-F504 HydrophobicContact CB-CD1 4.44Å; V474-F504 HydrophobicContact CB-CE1 4.47Å; V474-F504 HydrophobicContact CG1-CD1 3.94Å; V474-F504 HydrophobicContact CG1-CE1 3.64Å; V474-F504 HydrophobicContact CG1-CZ 4.13Å; V474-F504 HydrophobicContact CG2-CD1 3.8Å; V474-F504 HydrophobicContact CG2-CE1 3.98Å
475	E	97	Very high	94.4	Very high	29 Å²	29	57.4 Å²	57.4	14%	0.136	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.2	-178	-62.6	172	166.8	0	0	111	T479 L480 Y502 T503 K505	E475-T479 CarbonylContact C-O 3.47Å; E475-T479 WeakPolarHBondContact CA-O 3.29Å; E475-L480 HydrophobicContact CG-CB 4.44Å; E475-L480 HydrophobicContact CG-CD1 4.17Å; E475-Y502 WeakPolarHBondContact O-CA 3.18Å; E475-T503 PolarHBondContact N-O 2.91Å; E475-T503 PolarHBondContact O-N 2.81Å; E475-K505 WeakPolarHBondContact OE1-CE 3.36Å; E475-K505 IonicContact OE1-NZ 2.78Å; E475-K505 PolarHBondContact OE1-NZ 2.78Å; E475-K505 WeakPolarHBondContact OE2-CE 3.47Å; E475-K505 IonicContact OE2-NZ 2.72Å; E475-K505 PolarHBondContact OE2-NZ 2.87Å
476	A	94.2	Very high	94.5	Very high	18 Å²	18	60.5 Å²	60.5	15%	0.149	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.9	166.6	0	0	0	0	0	108.6	N478 T479 V481 T500 Y502	A476-N478 VanDerWaalsContact C-N 3.25Å; A476-N478 PolarHBondContact O-N 2.94Å; A476-T479 PolarHBondContact N-O 3.23Å; A476-T479 WeakPolarHBondContact O-CB 3.47Å; A476-T479 PolarHBondContact O-N 2.92Å; A476-V481 HydrophobicContact CB-CG1 4.07Å; A476-T500 HydrophobicContact CB-CG2 4.27Å; A476-Y502 HydrophobicContact CB-CD1 3.85Å; A476-Y502 HydrophobicContact CB-CE1 3.64Å
477	G	85.9	Confident	94.6	Very high	72 Å²	72	65.6 Å²	65.6	74%	0.742	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	41.7	-178.6	0	0	0	0	0	113.7	T479	G477-T479 PolarHBondContact O-N 2.9Å; G477-T479 VanDerWaalsContact O-N 3.16Å
478	N	85.6	Confident	94.7	Very high	152 Å²	152	65.6 Å²	65.6	81%	0.813	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	13.4	-174.2	-51.3	-39.7	0	0	0	115.7	A476	A476-N478 VanDerWaalsContact C-N 3.25Å; A476-N478 PolarHBondContact O-N 2.94Å
479	T	91.5	Very high	94.8	Very high	91 Å²	91	62 Å²	62	56%	0.558	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.2	175.2	-56.6	0	0	0	0	110.2	E475 A476 G477 V481	E475-T479 CarbonylContact C-O 3.47Å; E475-T479 WeakPolarHBondContact CA-O 3.29Å; A476-T479 PolarHBondContact N-O 3.23Å; A476-T479 WeakPolarHBondContact O-CB 3.47Å; A476-T479 PolarHBondContact O-N 2.92Å; G477-T479 PolarHBondContact O-N 2.9Å; G477-T479 VanDerWaalsContact O-N 3.16Å; T479-V481 PolarHBondContact O-N 2.87Å
480	L	94.6	Very high	94.9	Very high	86 Å²	86	60.4 Å²	60.4	45%	0.45	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	115.7	175	-176.9	69.3	0	0	0	110.6	E473 E475 R482 N483	E473-L480 HydrophobicContact CB-CD1 3.7Å; E473-L480 HydrophobicContact CG-CD1 3.82Å; E475-L480 HydrophobicContact CG-CB 4.44Å; E475-L480 HydrophobicContact CG-CD1 4.17Å; L480-R482 WeakPolarHBondContact CD1-O 3.24Å; L480-N483 HydrophobicContact CD2-CB 4.49Å
481	V	93.9	Very high	94.8	Very high	72 Å²	72	60 Å²	60	44%	0.436	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-22.6	-178.9	-64.2	0	0	0	0	113.7	V474 A476 T479 Y502	V474-V481 HydrophobicContact CB-CG2 4.23Å; V474-V481 HydrophobicContact CG1-CG2 4.1Å; V474-V481 WeakPolarHBondContact O-CG2 3.2Å; V474-V481 PolarHBondContact O-N 2.83Å; A476-V481 HydrophobicContact CB-CG1 4.07Å; T479-V481 PolarHBondContact O-N 2.87Å; V481-Y502 HydrophobicContact CG2-CD1 4.24Å; V481-Y502 HydrophobicContact CG2-CE1 3.93Å
482	R	94.8	Very high	94.8	Very high	91 Å²	91	66.3 Å²	66.3	34%	0.343	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	141.4	178.6	-172.6	-175.5	-82.2	-106.1	2.7	110.4	V474 L480 E484 K494	V474-R482 HydrophobicContact CB-CB 4.19Å; V474-R482 HydrophobicContact CG2-CB 4.38Å; V474-R482 PolarHBondContact N-O 3.45Å; V474-R482 PolarHBondContact O-N 2.82Å; L480-R482 WeakPolarHBondContact CD1-O 3.24Å; R482-E484 WeakPolarHBondContact CD-OE1 3.5Å; R482-E484 HydrophobicContact CG-CG 4.06Å; R482-E484 IonicContact CZ-OE1 3.24Å; R482-E484 IonicContact NE-OE1 3.42Å; R482-E484 IonicContact NH1-OE1 3.13Å; R482-E484 PolarHBondContact NH1-OE1 3.16Å; R482-K494 PolarHBondContact NH2-O 3.31Å; R482-K494 VanDerWaalsContact NH2-O 3.15Å
483	N	96.3	Very high	94.7	Very high	80 Å²	80	66.4 Å²	66.4	43%	0.428	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.7	169.8	-168.6	-32.1	0	0	0	108	L472 E473 L480	L472-N483 WeakPolarHBondContact O-CA 3.45Å; E473-N483 HydrophobicContact CG-CB 4.13Å; E473-N483 WeakPolarHBondContact CG-ND2 3.25Å; E473-N483 PolarHBondContact OE1-ND2 3.35Å; L480-N483 HydrophobicContact CD2-CB 4.49Å
484	E	95.2	Very high	94.5	Very high	37 Å²	37	70.1 Å²	70.1	17%	0.173	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.2	178.4	-64.1	-171.8	169.5	0	0	110.2	H471 L472 R482 F491	H471-E484 CarbonylContact C-O 3.46Å; H471-E484 WeakPolarHBondContact CA-O 3.32Å; L472-E484 PolarHBondContact N-O 3.13Å; L472-E484 PolarHBondContact O-N 3.41Å; R482-E484 WeakPolarHBondContact CD-OE1 3.5Å; R482-E484 HydrophobicContact CG-CG 4.06Å; R482-E484 IonicContact CZ-OE1 3.24Å; R482-E484 IonicContact NE-OE1 3.42Å; R482-E484 IonicContact NH1-OE1 3.13Å; R482-E484 PolarHBondContact NH1-OE1 3.16Å; E484-F491 HydrophobicContact CB-CD1 3.91Å; E484-F491 HydrophobicContact CB-CE1 4.05Å
485	S	96.1	Very high	94.3	Very high	41 Å²	41	76.2 Å²	76.2	29%	0.287	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.9	167.5	82.4	0	0	0	0	112.6	R469 Y470	R469-S485 PolarHBondContact NE-OG 2.84Å; R469-S485 PolarHBondContact NH2-O 2.78Å; R469-S485 PolarHBondContact NH2-OG 2.78Å; Y470-S485 CarbonylContact O-C 3.59Å; Y470-S485 WeakPolarHBondContact O-CA 2.99Å; Y470-S485 WeakPolarHBondContact O-CB 3.44Å
486	H	95.4	Very high	94.2	Very high	74 Å²	74	75.6 Å²	75.6	34%	0.343	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	162.8	-176.9	-71.3	157.7	0	0	0	111.3	R469 Y470 N488 D490 F491	R469-H486 WeakPolarHBondContact CD-O 3.08Å; Y470-H486 PolarHBondContact N-O 3.18Å; Y470-H486 PolarHBondContact O-N 2.76Å; H486-N488 VanDerWaalsContact C-N 3.29Å; H486-N488 VanDerWaalsContact CB-O 3.26Å; H486-N488 WeakPolarHBondContact CB-O 3.39Å; H486-D490 PolarHBondContact ND1-O 3.01Å; H486-F491 HydrophobicContact CB-CE1 3.95Å; H486-F491 HydrophobicContact CB-CZ 4.24Å; H486-F491 AromaticContact CE1-CD1 3.68Å; H486-F491 AromaticContact CG-CD1 4Å; H486-F491 AromaticContact CG-CE1 3.78Å; H486-F491 AromaticContact ND1-CD1 3.25Å; H486-F491 VanDerWaalsContact ND1-CD1 3.25Å; H486-F491 WeakPolarHBondContact ND1-CD1 3.41Å; H486-F491 AromaticContact ND1-CE1 3.51Å; H486-F491 AromaticContact ND1-CG 3.93Å
487	K	93.9	Very high	94.1	Very high	155 Å²	155	80.9 Å²	80.9	67%	0.674	42%	0.419	S	S	*	.	S	Bend	trans	-71.9	-24.5	170.9	-69.4	-169.4	176.7	-172.6	0	112.9	Y470	Y470-K487 WeakPolarHBondContact CD2-O 3.44Å; Y470-K487 VanDerWaalsContact CE2-O 3.31Å; Y470-K487 WeakPolarHBondContact CE2-O 3.48Å
488	N	95.3	Very high	94.4	Very high	119 Å²	119	81.8 Å²	81.8	64%	0.636	40%	0.401	S	S	*	.	S	Bend	trans	-120.9	149.8	179.8	-60.6	-19.6	0	0	0	109.2	H486 D490	H486-N488 VanDerWaalsContact C-N 3.29Å; H486-N488 VanDerWaalsContact CB-O 3.26Å; H486-N488 WeakPolarHBondContact CB-O 3.39Å; N488-D490 PolarHBondContact O-N 2.83Å
489	C	96.3	Very high	94.6	Very high	13 Å²	13	78.6 Å²	78.6	9%	0.088	39%	0.39	C	S	.	.	S	Bend	trans	-81	67.3	173.9	-158.2	0	0	0	0	112.3	K456 C457 Y470	K456-C489 VanDerWaalsContact CA-O 3.32Å; K456-C489 WeakPolarHBondContact CA-O 3.46Å; C457-C489 HydrophobicContact CB-CB 4.07Å; C457-C489 WeakPolarHBondContact CB-SG 3.26Å; C457-C489 PolarHBondContact N-O 2.73Å; C457-C489 VanDerWaalsContact N-O 3.14Å; C457-C489 PolarHBondContact N-SG 3Å; C457-C489 WeakPolarHBondContact O-CB 3.37Å; C457-C489 WeakPolarHBondContact SG-CB 3.32Å; C457-C489 CovalentContact SG-SG 2.02Å; C457-C489 PolarHBondContact SG-SG 3.38Å; Y470-C489 HydrophobicContact CD1-CB 3.5Å; Y470-C489 HydrophobicContact CD2-CB 4.34Å; Y470-C489 HydrophobicContact CE1-CB 3.9Å; Y470-C489 HydrophobicContact CG-CB 3.75Å
490	D	97.2	Very high	94.7	Very high	58 Å²	58	75.8 Å²	75.8	31%	0.31	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	117.6	172.6	-169.1	-68	0	0	0	107.3	H454 K456 H486 N488	H454-D490 IonicContact CD2-OD1 3.79Å; H454-D490 IonicContact CE1-OD1 3.41Å; H454-D490 IonicContact CE1-OD2 2.68Å; H454-D490 IonicContact NE2-OD1 3.59Å; H454-D490 PolarHBondContact NE2-OD1 2.84Å; H454-D490 IonicContact NE2-OD2 3.39Å; H454-D490 PolarHBondContact NE2-OD2 2.88Å; H454-D490 VanDerWaalsContact NE2-OD2 3.1Å; K456-D490 WeakPolarHBondContact CE-OD2 3.22Å; K456-D490 IonicContact NZ-OD2 3.64Å; K456-D490 PolarHBondContact NZ-OD2 3.39Å; K456-D490 VanDerWaalsContact NZ-OD2 3.11Å; H486-D490 PolarHBondContact ND1-O 3.01Å; N488-D490 PolarHBondContact O-N 2.83Å
491	F	97.6	Very high	94.7	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.5	-174.5	-56.6	-95.6	0	0	0	110.2	H454 V455 L472 E484 H486	H454-F491 PolarHBondContact CD2-O 3.05Å; V455-F491 HydrophobicContact CB-CB 4.34Å; V455-F491 PolarHBondContact N-O 2.79Å; V455-F491 PolarHBondContact O-N 2.96Å; L472-F491 HydrophobicContact CB-CD1 3.8Å; L472-F491 HydrophobicContact CB-CD2 3.99Å; L472-F491 HydrophobicContact CB-CE1 3.76Å; L472-F491 HydrophobicContact CB-CE2 3.94Å; L472-F491 HydrophobicContact CB-CG 3.92Å; L472-F491 HydrophobicContact CB-CZ 3.83Å; L472-F491 HydrophobicContact CD2-CB 3.47Å; L472-F491 VanDerWaalsContact CD2-CB 3.47Å; L472-F491 HydrophobicContact CD2-CD1 4.11Å; L472-F491 HydrophobicContact CD2-CD2 3.98Å; L472-F491 HydrophobicContact CD2-CG 3.62Å; L472-F491 HydrophobicContact CG-CG 4.43Å; E484-F491 HydrophobicContact CB-CD1 3.91Å; E484-F491 HydrophobicContact CB-CE1 4.05Å; H486-F491 HydrophobicContact CB-CE1 3.95Å; H486-F491 HydrophobicContact CB-CZ 4.24Å; H486-F491 AromaticContact CE1-CD1 3.68Å; H486-F491 AromaticContact CG-CD1 4Å; H486-F491 AromaticContact CG-CE1 3.78Å; H486-F491 AromaticContact ND1-CD1 3.25Å; H486-F491 VanDerWaalsContact ND1-CD1 3.25Å; H486-F491 WeakPolarHBondContact ND1-CD1 3.41Å; H486-F491 AromaticContact ND1-CE1 3.51Å; H486-F491 AromaticContact ND1-CG 3.93Å
492	R	96.4	Very high	94.8	Very high	165 Å²	165	74 Å²	74	62%	0.623	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	82.9	-178.2	-71.2	-176.3	171.5	-171.2	-4.1	109.6	H454 K494	H454-R492 PolarHBondContact CE1-NE 3.21Å; R492-K494 PolarHBondContact O-N 2.89Å
493	V	96.5	Very high	94.9	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	110.3	-178.6	-173.5	0	0	0	0	108.6	S452 M453 V455 L472 V474 L496 F504	S452-V493 CarbonylContact C-O 3.58Å; S452-V493 VanDerWaalsContact CA-O 3.26Å; S452-V493 WeakPolarHBondContact CA-O 3.06Å; S452-V493 WeakPolarHBondContact CB-O 3.34Å; M453-V493 PolarHBondContact N-O 3.25Å; M453-V493 PolarHBondContact O-N 2.94Å; V455-V493 HydrophobicContact CG2-CG2 4.37Å; L472-V493 HydrophobicContact CD2-CG2 3.71Å; V474-V493 HydrophobicContact CG2-CG1 4.43Å; V474-V493 HydrophobicContact CG2-CG2 4.19Å; V493-L496 HydrophobicContact CG1-CD1 4.1Å; V493-L496 HydrophobicContact CG1-CD2 3.7Å; V493-L496 HydrophobicContact CG1-CG 4.02Å; V493-F504 HydrophobicContact CB-CE1 4.49Å; V493-F504 HydrophobicContact CG2-CE1 4.29Å
494	K	94.1	Very high	95	Very high	117 Å²	117	67 Å²	67	51%	0.509	33%	0.331	S	S	.	.			trans	-112.3	168.2	-179.7	-63.3	-177.4	-176.3	-179.8	0	111.7	R482 R492 L496	R482-K494 PolarHBondContact NH2-O 3.31Å; R482-K494 VanDerWaalsContact NH2-O 3.15Å; R492-K494 PolarHBondContact O-N 2.89Å; K494-L496 PolarHBondContact O-N 2.9Å
495	D	92.6	Very high	95.1	Very high	129 Å²	129	67.4 Å²	67.4	69%	0.69	33%	0.332	S	S	*	.	S	Bend	trans	61.1	37.2	168.2	-48.1	-59.5	0	0	0	112	N451	N451-D495 PolarHBondContact O-N 3.29Å
496	L	93.9	Very high	95.2	Very high	16 Å²	16	65.4 Å²	65.4	8%	0.084	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-70.7	166.5	171.9	-64	169.3	0	0	0	110.5	N451 M453 V493 K494 Y502 T524	N451-L496 HydrophobicContact CB-CB 4.46Å; N451-L496 WeakPolarHBondContact CB-O 3.33Å; N451-L496 PolarHBondContact ND2-O 2.62Å; N451-L496 WeakPolarHBondContact O-CB 3.31Å; N451-L496 PolarHBondContact O-N 2.92Å; N451-L496 VanDerWaalsContact O-N 3.13Å; M453-L496 HydrophobicContact CG-CD1 3.91Å; V493-L496 HydrophobicContact CG1-CD1 4.1Å; V493-L496 HydrophobicContact CG1-CD2 3.7Å; V493-L496 HydrophobicContact CG1-CG 4.02Å; K494-L496 PolarHBondContact O-N 2.9Å; L496-Y502 HydrophobicContact CB-CE2 3.8Å; L496-Y502 HydrophobicContact CD1-CD2 4.28Å; L496-Y502 HydrophobicContact CD1-CE2 4.25Å; L496-Y502 HydrophobicContact CD2-CD1 4.22Å; L496-Y502 HydrophobicContact CD2-CD2 4.3Å; L496-Y502 HydrophobicContact CD2-CE1 3.83Å; L496-Y502 HydrophobicContact CD2-CE2 3.9Å; L496-Y502 HydrophobicContact CD2-CG 4.44Å; L496-Y502 HydrophobicContact CG-CE2 4.2Å; L496-T524 HydrophobicContact CB-CG2 3.81Å; L496-T524 HydrophobicContact CD1-CG2 3.78Å; L496-T524 HydrophobicContact CG-CG2 4.45Å
497	Q	92	Very high	95.3	Very high	130 Å²	130	63.5 Å²	63.5	61%	0.607	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-75.4	150.8	168.1	-57.8	-174.6	49	0	0	109.4	T500 Y502 T524	Q497-T500 WeakPolarHBondContact CB-OG1 3.4Å; Q497-Y502 WeakPolarHBondContact CB-OH 3.14Å; Q497-Y502 PolarHBondContact N-OH 3.19Å; Q497-T524 VanDerWaalsContact O-CB 3.27Å; Q497-T524 WeakPolarHBondContact O-CB 3.36Å; Q497-T524 WeakPolarHBondContact O-CG2 3.37Å; Q497-T524 PolarHBondContact O-OG1 2.98Å
498	Y	92.4	Very high	95.4	Very high	91 Å²	91	56.1 Å²	56.1	36%	0.357	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	154.5	177.7	-62.5	-85.5	0	0	0	110.6	D450 N451 T500 S525 N527	D450-Y498 HydrophobicContact CB-CD1 4Å; D450-Y498 HydrophobicContact CB-CE1 3.74Å; N451-Y498 HydrophobicContact CB-CD1 4.03Å; N451-Y498 HydrophobicContact CB-CE1 3.71Å; Y498-T500 PolarHBondContact O-N 3.44Å; Y498-T500 PolarHBondContact O-OG1 3.46Å; Y498-S525 CarbonylContact C-O 3.6Å; Y498-S525 WeakPolarHBondContact CA-O 3.36Å; Y498-S525 WeakPolarHBondContact CB-O 3.4Å; Y498-N527 HydrophobicContact CD1-CB 3.65Å; Y498-N527 HydrophobicContact CD2-CB 4.16Å; Y498-N527 HydrophobicContact CE1-CB 3.67Å; Y498-N527 HydrophobicContact CE2-CB 4.21Å; Y498-N527 HydrophobicContact CG-CB 3.9Å; Y498-N527 VanDerWaalsContact CZ-ND2 3.32Å; Y498-N527 PolarHBondContact OH-ND2 2.6Å
499	S	90.4	Very high	95.5	Very high	84 Å²	84	53 Å²	53	59%	0.587	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	37.4	176.6	-62.9	0	0	0	0	114.4	T524 S525 Y526	S499-T524 WeakPolarHBondContact CA-O 3.34Å; S499-T524 PolarHBondContact N-OG1 2.99Å; S499-S525 PolarHBondContact N-O 2.96Å; S499-Y526 VanDerWaalsContact OG-CA 3.32Å; S499-Y526 WeakPolarHBondContact OG-CA 3.45Å; S499-Y526 PolarHBondContact OG-N 2.93Å
500	T	93.1	Very high	95.5	Very high	33 Å²	33	52.4 Å²	52.4	20%	0.202	25%	0.254	C	S	.	.			trans	-120.4	133.5	-173.4	-59.8	0	0	0	0	110	A476 Q497 Y498 Y502 S523 T524	A476-T500 HydrophobicContact CB-CG2 4.27Å; Q497-T500 WeakPolarHBondContact CB-OG1 3.4Å; Y498-T500 PolarHBondContact O-N 3.44Å; Y498-T500 PolarHBondContact O-OG1 3.46Å; T500-Y502 HydrophobicContact CG2-CD2 4.24Å; T500-Y502 HydrophobicContact CG2-CE1 4.24Å; T500-Y502 HydrophobicContact CG2-CE2 3.66Å; T500-Y502 WeakPolarHBondContact O-CD2 3.06Å; T500-S523 WeakPolarHBondContact O-CA 3.15Å; T500-T524 PolarHBondContact N-OG1 3.33Å; T500-T524 PolarHBondContact O-N 3.24Å; T500-T524 PolarHBondContact O-OG1 3.3Å
501	D	94.5	Very high	95.3	Very high	114 Å²	114	51.4 Å²	51.4	61%	0.61	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	123.1	174.9	-68.4	-39.1	0	0	0	111.3	S523	D501-S523 WeakPolarHBondContact OD1-CB 3.39Å; D501-S523 PolarHBondContact OD1-OG 2.94Å
502	Y	96.6	Very high	95.2	Very high	6 Å²	6	55.3 Å²	55.3	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.5	177.5	-71.3	-77.9	0	0	0	111.9	V474 E475 A476 V481 L496 Q497 T500 F504 H521 H522 T524	V474-Y502 HydrophobicContact CG1-CD1 3.85Å; V474-Y502 HydrophobicContact CG1-CG 4.37Å; E475-Y502 WeakPolarHBondContact O-CA 3.18Å; A476-Y502 HydrophobicContact CB-CD1 3.85Å; A476-Y502 HydrophobicContact CB-CE1 3.64Å; V481-Y502 HydrophobicContact CG2-CD1 4.24Å; V481-Y502 HydrophobicContact CG2-CE1 3.93Å; L496-Y502 HydrophobicContact CB-CE2 3.8Å; L496-Y502 HydrophobicContact CD1-CD2 4.28Å; L496-Y502 HydrophobicContact CD1-CE2 4.25Å; L496-Y502 HydrophobicContact CD2-CD1 4.22Å; L496-Y502 HydrophobicContact CD2-CD2 4.3Å; L496-Y502 HydrophobicContact CD2-CE1 3.83Å; L496-Y502 HydrophobicContact CD2-CE2 3.9Å; L496-Y502 HydrophobicContact CD2-CG 4.44Å; L496-Y502 HydrophobicContact CG-CE2 4.2Å; Q497-Y502 WeakPolarHBondContact CB-OH 3.14Å; Q497-Y502 PolarHBondContact N-OH 3.19Å; T500-Y502 HydrophobicContact CG2-CD2 4.24Å; T500-Y502 HydrophobicContact CG2-CE1 4.24Å; T500-Y502 HydrophobicContact CG2-CE2 3.66Å; T500-Y502 WeakPolarHBondContact O-CD2 3.06Å; Y502-F504 VanDerWaalsContact CB-CE2 3.46Å; Y502-F504 HydrophobicContact CG-CZ 4.38Å; Y502-H521 CarbonylContact O-C 3.59Å; Y502-H521 WeakPolarHBondContact O-CA 3.45Å; Y502-H522 PolarHBondContact N-O 2.87Å; Y502-H522 PolarHBondContact O-N 2.61Å; Y502-T524 HydrophobicContact CD2-CG2 3.97Å; Y502-T524 HydrophobicContact CE2-CG2 3.81Å
503	T	97.4	Very high	95.1	Very high	23 Å²	23	52.4 Å²	52.4	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.8	170.6	-57.9	0	0	0	0	108.8	V474 E475 K505 I519 H521	V474-T503 CarbonylContact C-O 3.41Å; V474-T503 WeakPolarHBondContact CA-O 3.33Å; E475-T503 PolarHBondContact N-O 2.91Å; E475-T503 PolarHBondContact O-N 2.81Å; T503-K505 HydrophobicContact CG2-CG 4.28Å; T503-I519 HydrophobicContact CG2-CG2 3.51Å; T503-H521 PolarHBondContact OG1-CE1 3.22Å; T503-H521 VanDerWaalsContact OG1-CE1 3.31Å; T503-H521 PolarHBondContact OG1-ND1 3.33Å
504	F	97.4	Very high	95.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.5	179.7	-61.4	-91	0	0	0	108.9	M443 V445 M453 V455 L472 V474 V493 Y502 I519 L520 H522	M443-F504 HydrophobicContact CE-CB 3.74Å; V445-F504 HydrophobicContact CG1-CD2 4Å; V445-F504 HydrophobicContact CG1-CE2 3.97Å; V445-F504 HydrophobicContact CG1-CG 4.43Å; V445-F504 HydrophobicContact CG1-CZ 4.37Å; V445-F504 HydrophobicContact CG2-CB 4.04Å; V445-F504 HydrophobicContact CG2-CD2 4.05Å; V445-F504 HydrophobicContact CG2-CG 4.03Å; M453-F504 HydrophobicContact CB-CE1 4.29Å; M453-F504 HydrophobicContact CB-CZ 4.15Å; M453-F504 HydrophobicContact CG-CE1 4.34Å; M453-F504 HydrophobicContact CG-CE2 4.4Å; M453-F504 HydrophobicContact CG-CZ 3.71Å; V455-F504 HydrophobicContact CG2-CD1 3.76Å; V455-F504 HydrophobicContact CG2-CE1 4.16Å; V455-F504 HydrophobicContact CG2-CG 4.39Å; L472-F504 HydrophobicContact CD1-CB 4.2Å; L472-F504 HydrophobicContact CD1-CD1 4.42Å; V474-F504 HydrophobicContact CB-CD1 4.44Å; V474-F504 HydrophobicContact CB-CE1 4.47Å; V474-F504 HydrophobicContact CG1-CD1 3.94Å; V474-F504 HydrophobicContact CG1-CE1 3.64Å; V474-F504 HydrophobicContact CG1-CZ 4.13Å; V474-F504 HydrophobicContact CG2-CD1 3.8Å; V474-F504 HydrophobicContact CG2-CE1 3.98Å; V493-F504 HydrophobicContact CB-CE1 4.49Å; V493-F504 HydrophobicContact CG2-CE1 4.29Å; Y502-F504 VanDerWaalsContact CB-CE2 3.46Å; Y502-F504 HydrophobicContact CG-CZ 4.38Å; F504-I519 WeakPolarHBondContact O-CA 3.43Å; F504-L520 PolarHBondContact N-O 2.94Å; F504-L520 PolarHBondContact O-N 3.21Å; F504-H522 HydrophobicContact CD2-CB 4.44Å; F504-H522 HydrophobicContact CE2-CB 4.01Å
505	K	97.8	Very high	95.2	Very high	46 Å²	46	50.4 Å²	50.4	20%	0.2	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	105.7	180	-66	-178.8	179.4	171.4	0	109.2	L472 E473 E475 T503 P517 F518 I519	L472-K505 WeakPolarHBondContact CA-O 3.26Å; E473-K505 HydrophobicContact CB-CB 4.13Å; E473-K505 PolarHBondContact N-O 2.86Å; E473-K505 PolarHBondContact O-N 3.2Å; E475-K505 WeakPolarHBondContact OE1-CE 3.36Å; E475-K505 IonicContact OE1-NZ 2.78Å; E475-K505 PolarHBondContact OE1-NZ 2.78Å; E475-K505 WeakPolarHBondContact OE2-CE 3.47Å; E475-K505 IonicContact OE2-NZ 2.72Å; E475-K505 PolarHBondContact OE2-NZ 2.87Å; T503-K505 HydrophobicContact CG2-CG 4.28Å; K505-P517 HydrophobicContact CB-CB 4.02Å; K505-F518 CarbonylContact C-O 3.59Å; K505-F518 WeakPolarHBondContact CA-O 3.39Å; K505-I519 HydrophobicContact CG-CG1 4.22Å; K505-I519 HydrophobicContact CG-CG2 4.35Å
506	A	97.6	Very high	95.3	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.9	178.6	0	0	0	0	0	111.7	V440 M443 H471 L472 F518	V440-A506 HydrophobicContact CG2-CB 4.3Å; V440-A506 WeakPolarHBondContact CG2-O 3.4Å; M443-A506 HydrophobicContact CE-CB 3.68Å; M443-A506 HydrophobicContact CG-CB 4.4Å; M443-A506 HydrophobicContact SD-CB 3.69Å; H471-A506 VanDerWaalsContact O-CA 3.32Å; H471-A506 WeakPolarHBondContact O-CA 3.41Å; L472-A506 HydrophobicContact CD1-CB 4.25Å; A506-F518 PolarHBondContact N-O 3.07Å; A506-F518 PolarHBondContact O-N 2.97Å
507	Y	97.6	Very high	95.5	Very high	33 Å²	33	52.1 Å²	52.1	13%	0.129	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	164.9	175.9	57.2	-85	0	0	0	112.2	Y470 H471 E473 P514 G515 P517	Y470-Y507 WeakPolarHBondContact CA-O 3.35Å; H471-Y507 HydrophobicContact CB-CD1 4.04Å; H471-Y507 HydrophobicContact CB-CD2 3.82Å; H471-Y507 HydrophobicContact CB-CE1 3.71Å; H471-Y507 HydrophobicContact CB-CE2 3.46Å; H471-Y507 VanDerWaalsContact CB-CE2 3.46Å; H471-Y507 HydrophobicContact CB-CG 4.1Å; H471-Y507 VanDerWaalsContact CB-CZ 3.41Å; H471-Y507 AromaticContact CG-CE2 3.61Å; H471-Y507 AromaticContact CG-CZ 3.83Å; H471-Y507 PolarHBondContact N-O 3.34Å; H471-Y507 AromaticContact ND1-CE2 4Å; H471-Y507 AromaticContact ND1-CZ 4Å; H471-Y507 PolarHBondContact O-N 2.55Å; E473-Y507 HydrophobicContact CG-CE1 4.33Å; E473-Y507 WeakPolarHBondContact OE1-CE1 3.39Å; E473-Y507 PolarHBondContact OE1-OH 3.1Å; Y507-P514 HydrophobicContact CD2-CB 3.95Å; Y507-P514 HydrophobicContact CE2-CB 3.98Å; Y507-G515 WeakPolarHBondContact CB-O 3.39Å; Y507-P517 HydrophobicContact CD1-CB 4.34Å
508	F	97.5	Very high	95.7	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.1	170.4	-177.2	-99.7	0	0	0	109	P437 V440 P460 R463 H467 E468 R469 Y470 N510 G515	P437-F508 HydrophobicContact CB-CD1 3.67Å; P437-F508 HydrophobicContact CB-CE1 4.34Å; P437-F508 HydrophobicContact CG-CB 4.44Å; P437-F508 HydrophobicContact CG-CD1 3.76Å; P437-F508 WeakPolarHBondContact CG-O 3.35Å; V440-F508 HydrophobicContact CG1-CB 3.93Å; P460-F508 HydrophobicContact CG-CB 3.98Å; P460-F508 HydrophobicContact CG-CD1 3.69Å; P460-F508 HydrophobicContact CG-CD2 4.18Å; P460-F508 HydrophobicContact CG-CE1 4.11Å; P460-F508 HydrophobicContact CG-CG 3.71Å; P460-F508 HydrophobicContact CG-CZ 4.49Å; R463-F508 HydrophobicContact CB-CE1 4.17Å; R463-F508 HydrophobicContact CG-CE1 4.21Å; R463-F508 HydrophobicContact CG-CZ 4.25Å; H467-F508 WeakPolarHBondContact O-CZ 3.36Å; E468-F508 HydrophobicContact CB-CE2 3.95Å; E468-F508 HydrophobicContact CB-CZ 4.02Å; E468-F508 HydrophobicContact CG-CE2 4.29Å; E468-F508 HydrophobicContact CG-CZ 3.98Å; R469-F508 CarbonylContact O-C 3.55Å; R469-F508 WeakPolarHBondContact O-CA 3.36Å; R469-F508 VanDerWaalsContact O-CD2 3.22Å; R469-F508 WeakPolarHBondContact O-CD2 3.22Å; Y470-F508 HydrophobicContact CD1-CB 4.48Å; Y470-F508 AromaticContact CD1-CD2 3.88Å; Y470-F508 HydrophobicContact CD1-CD2 3.88Å; Y470-F508 HydrophobicContact CD2-CD2 4.29Å; Y470-F508 AromaticContact CE1-CD2 3.55Å; Y470-F508 HydrophobicContact CE1-CD2 3.55Å; Y470-F508 HydrophobicContact CE1-CE2 4.23Å; Y470-F508 HydrophobicContact CE1-CG 4.46Å; Y470-F508 AromaticContact CE2-CD2 3.96Å; Y470-F508 HydrophobicContact CE2-CD2 3.96Å; Y470-F508 AromaticContact CE2-CE2 3.97Å; Y470-F508 HydrophobicContact CE2-CE2 3.97Å; Y470-F508 HydrophobicContact CG-CD2 4.24Å; Y470-F508 AromaticContact CZ-CD2 3.57Å; Y470-F508 AromaticContact CZ-CE2 3.76Å; F508-N510 HydrophobicContact CD1-CB 4.3Å; F508-N510 HydrophobicContact CE1-CB 3.83Å; F508-G515 PolarHBondContact O-N 3.34Å
509	H	97	Very high	96	Very high	53 Å²	53	47.8 Å²	47.8	25%	0.245	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.9	174.6	-172.4	-6.6	0	0	0	108.2	R469 G511 Y513	R469-H509 PolarHBondContact N-O 3.15Å; R469-H509 PolarHBondContact O-N 3.33Å; H509-G511 VanDerWaalsContact C-N 3.32Å; H509-G511 PolarHBondContact CE1-O 3.32Å; H509-G511 PolarHBondContact O-N 3.45Å; H509-Y513 WeakPolarHBondContact CA-O 3.38Å; H509-Y513 PolarHBondContact ND1-O 2.85Å
510	N	95.8	Very high	96.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.			trans	-92.2	15	-169	68.1	10.8	0	0	0	114.7	A435 P437 R463 N464 G465 P466 H467 F508 D512 Y513	A435-N510 PolarHBondContact O-ND2 3.48Å; P437-N510 HydrophobicContact CG-CB 4.43Å; R463-N510 WeakPolarHBondContact O-CB 3.14Å; R463-N510 PolarHBondContact O-ND2 3.45Å; N464-N510 PolarHBondContact O-ND2 2.71Å; G465-N510 PolarHBondContact N-ND2 2.91Å; P466-N510 VanDerWaalsContact CD-O 3.22Å; P466-N510 WeakPolarHBondContact CD-O 3.38Å; H467-N510 PolarHBondContact N-O 2.91Å; H467-N510 CarbonylContact O-C 3.57Å; H467-N510 VanDerWaalsContact O-CA 3.31Å; H467-N510 WeakPolarHBondContact O-CA 3.44Å; F508-N510 HydrophobicContact CD1-CB 4.3Å; F508-N510 HydrophobicContact CE1-CB 3.83Å; N510-D512 PolarHBondContact OD1-N 3.38Å; N510-D512 VanDerWaalsContact OD1-N 3.11Å; N510-Y513 PolarHBondContact N-O 3.38Å; N510-Y513 PolarHBondContact OD1-N 3.5Å; N510-Y513 PolarHBondContact OD1-O 3.45Å; N510-Y513 VanDerWaalsContact OD1-O 3.14Å
511	G	93.4	Very high	96.4	Very high	37 Å²	37	51.4 Å²	51.4	38%	0.381	27%	0.265	S	S	.	.	S	Bend	trans	98.5	-48.9	-170.7	0	0	0	0	0	112.4	H509	H509-G511 VanDerWaalsContact C-N 3.32Å; H509-G511 PolarHBondContact CE1-O 3.32Å; H509-G511 PolarHBondContact O-N 3.45Å
512	D	94.3	Very high	96.4	Very high	82 Å²	82	48.9 Å²	48.9	44%	0.439	25%	0.25	S	C	.	.	S	Bend	trans	-96.9	-39.4	-174.5	-56.2	-35.8	0	0	0	112.2	S434 P466 N510	S434-D512 WeakPolarHBondContact CB-OD2 3.27Å; S434-D512 PolarHBondContact OG-OD2 2.99Å; P466-D512 WeakPolarHBondContact CD-OD2 3.37Å; N510-D512 PolarHBondContact OD1-N 3.38Å; N510-D512 VanDerWaalsContact OD1-N 3.11Å
513	Y	95.8	Very high	96.3	Very high	104 Å²	104	51.2 Å²	51.2	41%	0.408	27%	0.267	S	S	.	.			trans	-135.8	142.3	-174.5	-60.9	-78.7	0	0	0	112.3	A435 P436 H509 N510	A435-Y513 VanDerWaalsContact C-CD2 3.44Å; P436-Y513 HydrophobicContact CG-CD1 4.42Å; P436-Y513 HydrophobicContact CG-CG 4.34Å; H509-Y513 WeakPolarHBondContact CA-O 3.38Å; H509-Y513 PolarHBondContact ND1-O 2.85Å; N510-Y513 PolarHBondContact N-O 3.38Å; N510-Y513 PolarHBondContact OD1-N 3.5Å; N510-Y513 PolarHBondContact OD1-O 3.45Å; N510-Y513 VanDerWaalsContact OD1-O 3.14Å
514	P	96.3	Very high	96	Very high	70 Å²	70	50.5 Å²	50.5	46%	0.455	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-74.9	152.9	159.4	34.2	-33.8	0	0	0	110.1	Y507	Y507-P514 HydrophobicContact CD2-CB 3.95Å; Y507-P514 HydrophobicContact CE2-CB 3.98Å
515	G	95.4	Very high	95.6	Very high	6 Å²	6	52 Å²	52	6%	0.062	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-99.1	169.5	167.8	0	0	0	0	0	111.9	P437 Y507 F508	P437-G515 WeakPolarHBondContact O-CA 3.38Å; Y507-G515 WeakPolarHBondContact CB-O 3.39Å; F508-G515 PolarHBondContact O-N 3.34Å
516	E	96.1	Very high	95	Very high	141 Å²	141	56.2 Å²	56.2	66%	0.659	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-60.4	136.4	178.2	-68.9	-57.2	135.5	0	0	112.1
517	P	96.9	Very high	94.5	Very high	41 Å²	41	58.7 Å²	58.7	27%	0.266	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-74.4	130.5	-177.9	29.3	-33.6	0	0	0	112	K505 Y507 I519	K505-P517 HydrophobicContact CB-CB 4.02Å; Y507-P517 HydrophobicContact CD1-CB 4.34Å; P517-I519 PolarHBondContact O-N 3.09Å
518	F	97.3	Very high	93.7	Very high	52 Å²	52	58.7 Å²	58.7	23%	0.228	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.2	160.8	-160	-59.2	0	0	0	108.3	Q439 V440 M443 K505 A506 L520	Q439-F518 HydrophobicContact CG-CB 3.98Å; Q439-F518 HydrophobicContact CG-CD2 4.1Å; Q439-F518 HydrophobicContact CG-CG 4.48Å; V440-F518 HydrophobicContact CG2-CB 3.62Å; V440-F518 HydrophobicContact CG2-CG 4.47Å; V440-F518 WeakPolarHBondContact O-CD2 3.39Å; M443-F518 HydrophobicContact CB-CB 4.22Å; M443-F518 HydrophobicContact CB-CD1 3.55Å; M443-F518 HydrophobicContact CB-CD2 4.04Å; M443-F518 HydrophobicContact CB-CE1 3.89Å; M443-F518 HydrophobicContact CB-CE2 4.33Å; M443-F518 HydrophobicContact CB-CG 3.65Å; M443-F518 HydrophobicContact CB-CZ 4.26Å; M443-F518 HydrophobicContact CG-CD1 4.16Å; M443-F518 HydrophobicContact CG-CG 4.43Å; M443-F518 HydrophobicContact SD-CB 3.78Å; M443-F518 HydrophobicContact SD-CD1 3.54Å; M443-F518 VanDerWaalsContact SD-CD1 3.54Å; M443-F518 HydrophobicContact SD-CE1 4.48Å; M443-F518 HydrophobicContact SD-CG 3.91Å; M443-F518 VanDerWaalsContact SD-O 3.36Å; K505-F518 CarbonylContact C-O 3.59Å; K505-F518 WeakPolarHBondContact CA-O 3.39Å; A506-F518 PolarHBondContact N-O 3.07Å; A506-F518 PolarHBondContact O-N 2.97Å; F518-L520 HydrophobicContact CD1-CG 4.06Å; F518-L520 HydrophobicContact CE1-CD1 4.2Å; F518-L520 HydrophobicContact CE1-CD2 3.93Å; F518-L520 HydrophobicContact CE1-CG 3.78Å
519	I	97.1	Very high	93	Very high	77 Å²	77	66.4 Å²	66.4	40%	0.395	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.7	-176.8	-46.3	-171.5	0	0	0	109.9	T503 F504 K505 P517	T503-I519 HydrophobicContact CG2-CG2 3.51Å; F504-I519 WeakPolarHBondContact O-CA 3.43Å; K505-I519 HydrophobicContact CG-CG1 4.22Å; K505-I519 HydrophobicContact CG-CG2 4.35Å; P517-I519 PolarHBondContact O-N 3.09Å
520	L	96.8	Very high	92.2	Very high	54 Å²	54	66.4 Å²	66.4	28%	0.283	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.1	169.1	-74.5	176.5	0	0	0	110.5	M443 V445 F504 F518	M443-L520 HydrophobicContact CB-CD1 4.12Å; M443-L520 HydrophobicContact CE-CB 4.48Å; M443-L520 HydrophobicContact CE-CD1 4.5Å; M443-L520 HydrophobicContact CG-CD1 3.88Å; M443-L520 HydrophobicContact SD-CD1 4.07Å; M443-L520 HydrophobicContact SD-CG 4.21Å; V445-L520 HydrophobicContact CG2-CB 3.93Å; V445-L520 HydrophobicContact CG2-CD1 3.95Å; F504-L520 PolarHBondContact N-O 2.94Å; F504-L520 PolarHBondContact O-N 3.21Å; F518-L520 HydrophobicContact CD1-CG 4.06Å; F518-L520 HydrophobicContact CE1-CD1 4.2Å; F518-L520 HydrophobicContact CE1-CD2 3.93Å; F518-L520 HydrophobicContact CE1-CG 3.78Å
521	H	95.8	Very high	91.6	Very high	139 Å²	139	69.9 Å²	69.9	64%	0.644	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.3	176.2	-54	-81.9	0	0	0	109.9	Y502 T503	Y502-H521 CarbonylContact O-C 3.59Å; Y502-H521 WeakPolarHBondContact O-CA 3.45Å; T503-H521 PolarHBondContact OG1-CE1 3.22Å; T503-H521 VanDerWaalsContact OG1-CE1 3.31Å; T503-H521 PolarHBondContact OG1-ND1 3.33Å
522	H	95.9	Very high	91.2	Very high	61 Å²	61	73.5 Å²	73.5	28%	0.282	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	125.6	174.7	-158.9	-45.5	0	0	0	111.3	V445 M453 Y502 F504	V445-H522 HydrophobicContact CB-CB 4.41Å; V445-H522 HydrophobicContact CG1-CB 3.77Å; M453-H522 HydrophobicContact CE-CB 4.27Å; M453-H522 VanDerWaalsContact CE-ND1 3.34Å; M453-H522 WeakPolarHBondContact CE-ND1 3.33Å; Y502-H522 PolarHBondContact N-O 2.87Å; Y502-H522 PolarHBondContact O-N 2.61Å; F504-H522 HydrophobicContact CD2-CB 4.44Å; F504-H522 HydrophobicContact CE2-CB 4.01Å
523	S	93.2	Very high	90.7	Very high	55 Å²	55	72.5 Å²	72.5	39%	0.385	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	147	176.2	-32.6	0	0	0	0	111.8	M447 M453 T500 D501	M447-S523 WeakPolarHBondContact CE-O 3.34Å; M453-S523 WeakPolarHBondContact CE-O 3.18Å; T500-S523 WeakPolarHBondContact O-CA 3.15Å; D501-S523 WeakPolarHBondContact OD1-CB 3.39Å; D501-S523 PolarHBondContact OD1-OG 2.94Å
524	T	91.8	Very high	90.2	Very high	8 Å²	8	73.4 Å²	73.4	5%	0.049	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-78.9	159.3	164.4	46.1	0	0	0	0	111.9	D450 M453 L496 Q497 S499 T500 Y502	D450-T524 WeakPolarHBondContact O-CB 3.37Å; M453-T524 HydrophobicContact CE-CG2 4.05Å; L496-T524 HydrophobicContact CB-CG2 3.81Å; L496-T524 HydrophobicContact CD1-CG2 3.78Å; L496-T524 HydrophobicContact CG-CG2 4.45Å; Q497-T524 VanDerWaalsContact O-CB 3.27Å; Q497-T524 WeakPolarHBondContact O-CB 3.36Å; Q497-T524 WeakPolarHBondContact O-CG2 3.37Å; Q497-T524 PolarHBondContact O-OG1 2.98Å; S499-T524 WeakPolarHBondContact CA-O 3.34Å; S499-T524 PolarHBondContact N-OG1 2.99Å; T500-T524 PolarHBondContact N-OG1 3.33Å; T500-T524 PolarHBondContact O-N 3.24Å; T500-T524 PolarHBondContact O-OG1 3.3Å; Y502-T524 HydrophobicContact CD2-CG2 3.97Å; Y502-T524 HydrophobicContact CE2-CG2 3.81Å
525	S	88.4	Confident	89.8	Confident	33 Å²	33	74.1 Å²	74.1	23%	0.231	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-80	168.1	176.3	-162.6	0	0	0	0	111.4	D450 Y498 S499	D450-S525 PolarHBondContact O-N 2.85Å; Y498-S525 CarbonylContact C-O 3.6Å; Y498-S525 WeakPolarHBondContact CA-O 3.36Å; Y498-S525 WeakPolarHBondContact CB-O 3.4Å; S499-S525 PolarHBondContact N-O 2.96Å
526	Y	84.5	Confident	89.4	Confident	134 Å²	134	76 Å²	76	53%	0.525	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-68.6	158.6	163.7	60.7	-91	0	0	0	110.4	S499 S528 L531	S499-Y526 VanDerWaalsContact OG-CA 3.32Å; S499-Y526 WeakPolarHBondContact OG-CA 3.45Å; S499-Y526 PolarHBondContact OG-N 2.93Å; Y526-S528 PolarHBondContact O-N 3.2Å; Y526-L531 HydrophobicContact CD2-CD2 4.04Å; Y526-L531 HydrophobicContact CE2-CD2 3.59Å
527	N	86.9	Confident	89.2	Confident	51 Å²	51	74.9 Å²	74.9	27%	0.273	39%	0.394	S	S	.	.			trans	-73.6	93.3	177.9	-172.3	-32.1	0	0	0	110.6	Y498 K529 A530 L531	Y498-N527 HydrophobicContact CD1-CB 3.65Å; Y498-N527 HydrophobicContact CD2-CB 4.16Å; Y498-N527 HydrophobicContact CE1-CB 3.67Å; Y498-N527 HydrophobicContact CE2-CB 4.21Å; Y498-N527 HydrophobicContact CG-CB 3.9Å; Y498-N527 VanDerWaalsContact CZ-ND2 3.32Å; Y498-N527 PolarHBondContact OH-ND2 2.6Å; N527-K529 VanDerWaalsContact C-N 3.27Å; N527-K529 PolarHBondContact O-N 2.88Å; N527-K529 PolarHBondContact OD1-N 2.69Å; N527-A530 HydrophobicContact CB-CB 3.96Å; N527-A530 PolarHBondContact O-N 3.47Å; N527-A530 WeakPolarHBondContact OD1-CB 3.33Å; N527-A530 PolarHBondContact OD1-N 2.79Å; N527-L531 PolarHBondContact O-N 3.06Å
528	S	81.6	Confident	88.7	Confident	33 Å²	33	76.5 Å²	76.5	23%	0.231	40%	0.4	C	S	.	.	H	α-helix	trans	-58.3	-38.6	-176.9	61.4	0	0	0	0	112.4	D450 Y526 L531 I532	D450-S528 VanDerWaalsContact OD2-CB 3.27Å; D450-S528 WeakPolarHBondContact OD2-CB 3.28Å; D450-S528 PolarHBondContact OD2-N 3.32Å; D450-S528 PolarHBondContact OD2-OG 3.41Å; Y526-S528 PolarHBondContact O-N 3.2Å; S528-L531 PolarHBondContact O-N 3.03Å; S528-I532 WeakPolarHBondContact O-CB 3.46Å; S528-I532 WeakPolarHBondContact O-CD1 3.4Å; S528-I532 VanDerWaalsContact O-CG1 3.25Å; S528-I532 WeakPolarHBondContact O-CG1 3.43Å; S528-I532 PolarHBondContact O-N 3.06Å
529	K	82.7	Confident	88.4	Confident	164 Å²	164	79 Å²	79	71%	0.713	42%	0.415	S	S	*	.	H	α-helix	trans	-67.4	-40.8	-179.8	-62.1	179.3	-176.7	175.2	0	112	N527 A533	N527-K529 VanDerWaalsContact C-N 3.27Å; N527-K529 PolarHBondContact O-N 2.88Å; N527-K529 PolarHBondContact OD1-N 2.69Å; K529-A533 WeakPolarHBondContact O-CB 3.48Å; K529-A533 PolarHBondContact O-N 2.74Å
530	A	81.3	Confident	88.1	Confident	52 Å²	52	80.1 Å²	80.1	43%	0.43	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-40.9	174.8	0	0	0	0	0	111.6	N527 A533 F534	N527-A530 HydrophobicContact CB-CB 3.96Å; N527-A530 PolarHBondContact O-N 3.47Å; N527-A530 WeakPolarHBondContact OD1-CB 3.33Å; N527-A530 PolarHBondContact OD1-N 2.79Å; A530-A533 PolarHBondContact O-N 3.18Å; A530-F534 WeakPolarHBondContact O-CB 3.39Å; A530-F534 PolarHBondContact O-N 3.05Å
531	L	83	Confident	87.8	Confident	74 Å²	74	80.7 Å²	80.7	39%	0.387	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-46.9	175.8	-177.3	64.2	0	0	0	111.8	Y526 N527 S528 A533 F534 L535	Y526-L531 HydrophobicContact CD2-CD2 4.04Å; Y526-L531 HydrophobicContact CE2-CD2 3.59Å; N527-L531 PolarHBondContact O-N 3.06Å; S528-L531 PolarHBondContact O-N 3.03Å; L531-A533 VanDerWaalsContact C-N 3.35Å; L531-A533 PolarHBondContact O-N 2.87Å; L531-F534 PolarHBondContact O-N 3.09Å; L531-L535 HydrophobicContact CD1-CD1 4.26Å; L531-L535 HydrophobicContact CD1-CG 4.37Å; L531-L535 HydrophobicContact CG-CD1 4.01Å; L531-L535 WeakPolarHBondContact O-CB 3.27Å; L531-L535 VanDerWaalsContact O-CG 3.31Å; L531-L535 WeakPolarHBondContact O-CG 3.32Å; L531-L535 PolarHBondContact O-N 3.34Å
532	I	84.6	Confident	87.4	Confident	113 Å²	113	77.2 Å²	77.2	58%	0.579	42%	0.415	S	S	*	.	H	α-helix	trans	-61.6	-42.8	177.1	-69.2	163.7	0	0	0	110.9	S528 L535 A536	S528-I532 WeakPolarHBondContact O-CB 3.46Å; S528-I532 WeakPolarHBondContact O-CD1 3.4Å; S528-I532 VanDerWaalsContact O-CG1 3.25Å; S528-I532 WeakPolarHBondContact O-CG1 3.43Å; S528-I532 PolarHBondContact O-N 3.06Å; I532-L535 PolarHBondContact O-N 2.97Å; I532-A536 VanDerWaalsContact O-CB 3.3Å; I532-A536 WeakPolarHBondContact O-CB 3.09Å; I532-A536 PolarHBondContact O-N 2.96Å
533	A	84.3	Confident	87	Confident	60 Å²	60	77 Å²	77	50%	0.496	42%	0.419	S	S	.	.	H	α-helix	trans	-64.2	-40.8	176.5	0	0	0	0	0	112.5	K529 A530 L531 F537	K529-A533 WeakPolarHBondContact O-CB 3.48Å; K529-A533 PolarHBondContact O-N 2.74Å; A530-A533 PolarHBondContact O-N 3.18Å; L531-A533 VanDerWaalsContact C-N 3.35Å; L531-A533 PolarHBondContact O-N 2.87Å; A533-F537 WeakPolarHBondContact O-CB 3.27Å; A533-F537 PolarHBondContact O-N 3.38Å
534	F	84.6	Confident	86.9	Confident	123 Å²	123	79 Å²	79	54%	0.539	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-44.4	176.1	180	-105.3	0	0	0	112.1	A530 L531 F537 L538	A530-F534 WeakPolarHBondContact O-CB 3.39Å; A530-F534 PolarHBondContact O-N 3.05Å; L531-F534 PolarHBondContact O-N 3.09Å; F534-F537 PolarHBondContact O-N 2.88Å; F534-L538 HydrophobicContact CD1-CD1 4.28Å; F534-L538 HydrophobicContact CE1-CD1 3.63Å; F534-L538 HydrophobicContact CZ-CD1 3.89Å; F534-L538 WeakPolarHBondContact O-CB 3.29Å; F534-L538 PolarHBondContact O-N 3.46Å
535	L	88.1	Confident	86.6	Confident	86 Å²	86	81 Å²	81	45%	0.45	44%	0.442	S	S	.	.	H	α-helix	trans	-63.8	-43.4	175.5	-70.9	170.8	0	0	0	111.9	L531 I532 F537 L538 I539	L531-L535 HydrophobicContact CD1-CD1 4.26Å; L531-L535 HydrophobicContact CD1-CG 4.37Å; L531-L535 HydrophobicContact CG-CD1 4.01Å; L531-L535 WeakPolarHBondContact O-CB 3.27Å; L531-L535 VanDerWaalsContact O-CG 3.31Å; L531-L535 WeakPolarHBondContact O-CG 3.32Å; L531-L535 PolarHBondContact O-N 3.34Å; I532-L535 PolarHBondContact O-N 2.97Å; L535-F537 PolarHBondContact O-N 3.09Å; L535-L538 WeakPolarHBondContact O-CB 3.35Å; L535-L538 PolarHBondContact O-N 3.49Å; L535-I539 VanDerWaalsContact O-CG1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.45Å; L535-I539 PolarHBondContact O-N 2.86Å
536	A	87.5	Confident	86.4	Confident	44 Å²	44	84.4 Å²	84.4	36%	0.364	46%	0.457	S	S	.	.	H	α-helix	trans	-62.3	-41.7	175.5	0	0	0	0	0	111.9	I532 I539 I540	I532-A536 VanDerWaalsContact O-CB 3.3Å; I532-A536 WeakPolarHBondContact O-CB 3.09Å; I532-A536 PolarHBondContact O-N 2.96Å; A536-I539 PolarHBondContact O-N 3.12Å; A536-I540 VanDerWaalsContact O-CG1 3.28Å; A536-I540 WeakPolarHBondContact O-CG1 3.3Å; A536-I540 PolarHBondContact O-N 3.45Å
537	F	90.4	Very high	86.5	Confident	119 Å²	119	83.6 Å²	83.6	52%	0.522	46%	0.461	S	S	.	.	H	α-helix	trans	-61.8	-44.3	173.1	176.7	-100.9	0	0	0	111.8	A533 F534 L535 I539 I540 V541	A533-F537 WeakPolarHBondContact O-CB 3.27Å; A533-F537 PolarHBondContact O-N 3.38Å; F534-F537 PolarHBondContact O-N 2.88Å; L535-F537 PolarHBondContact O-N 3.09Å; F537-I539 PolarHBondContact O-N 3.3Å; F537-I540 PolarHBondContact O-N 3.28Å; F537-V541 HydrophobicContact CD1-CG2 4.23Å; F537-V541 HydrophobicContact CD2-CG2 4.26Å; F537-V541 HydrophobicContact CE1-CG2 3.82Å; F537-V541 HydrophobicContact CE2-CG2 3.86Å; F537-V541 HydrophobicContact CG-CG2 4.44Å; F537-V541 HydrophobicContact CZ-CG2 3.63Å; F537-V541 WeakPolarHBondContact O-CB 3.29Å; F537-V541 WeakPolarHBondContact O-CG2 3.25Å; F537-V541 PolarHBondContact O-N 2.89Å
538	L	88.2	Confident	86.3	Confident	75 Å²	75	85.1 Å²	85.1	39%	0.393	47%	0.472	S	S	.	.	H	α-helix	trans	-60.1	-43.6	175	-112.2	168.5	0	0	0	112.1	F534 L535 V541 T542	F534-L538 HydrophobicContact CD1-CD1 4.28Å; F534-L538 HydrophobicContact CE1-CD1 3.63Å; F534-L538 HydrophobicContact CZ-CD1 3.89Å; F534-L538 WeakPolarHBondContact O-CB 3.29Å; F534-L538 PolarHBondContact O-N 3.46Å; L535-L538 WeakPolarHBondContact O-CB 3.35Å; L535-L538 PolarHBondContact O-N 3.49Å; L538-V541 PolarHBondContact O-N 2.95Å; L538-T542 HydrophobicContact CD2-CG2 4.24Å; L538-T542 WeakPolarHBondContact O-CB 3.47Å; L538-T542 WeakPolarHBondContact O-CG2 3.37Å; L538-T542 PolarHBondContact O-N 3.41Å; L538-T542 PolarHBondContact O-OG1 2.89Å
539	I	90.6	Very high	86.4	Confident	105 Å²	105	87.1 Å²	87.1	54%	0.538	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-42.2	176.1	-69.3	163.3	0	0	0	110.9	L535 A536 F537 T542 S543	L535-I539 VanDerWaalsContact O-CG1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.45Å; L535-I539 PolarHBondContact O-N 2.86Å; A536-I539 PolarHBondContact O-N 3.12Å; F537-I539 PolarHBondContact O-N 3.3Å; I539-T542 WeakPolarHBondContact CA-OG1 3.45Å; I539-T542 PolarHBondContact O-OG1 3.31Å; I539-S543 WeakPolarHBondContact O-CB 3.16Å; I539-S543 PolarHBondContact O-N 2.91Å; I539-S543 PolarHBondContact O-OG 3.5Å
540	I	90.3	Very high	86.3	Confident	99 Å²	99	84.1 Å²	84.1	51%	0.508	47%	0.474	S	S	.	.	H	α-helix	trans	-64.9	-48.3	176.1	-69.4	163.7	0	0	0	111	A536 F537 S543 I544	A536-I540 VanDerWaalsContact O-CG1 3.28Å; A536-I540 WeakPolarHBondContact O-CG1 3.3Å; A536-I540 PolarHBondContact O-N 3.45Å; F537-I540 PolarHBondContact O-N 3.28Å; I540-S543 PolarHBondContact O-N 2.91Å; I540-I544 HydrophobicContact CG2-CD1 3.77Å; I540-I544 VanDerWaalsContact O-CG1 3.31Å; I540-I544 WeakPolarHBondContact O-CG1 3.31Å; I540-I544 PolarHBondContact O-N 3.39Å
541	V	89.6	Confident	86.2	Confident	66 Å²	66	89.4 Å²	89.4	40%	0.4	48%	0.484	S	S	.	.	H	α-helix	trans	-63.5	-44.1	179.9	169.9	0	0	0	0	111.4	F537 L538 I544 A545	F537-V541 HydrophobicContact CD1-CG2 4.23Å; F537-V541 HydrophobicContact CD2-CG2 4.26Å; F537-V541 HydrophobicContact CE1-CG2 3.82Å; F537-V541 HydrophobicContact CE2-CG2 3.86Å; F537-V541 HydrophobicContact CG-CG2 4.44Å; F537-V541 HydrophobicContact CZ-CG2 3.63Å; F537-V541 WeakPolarHBondContact O-CB 3.29Å; F537-V541 WeakPolarHBondContact O-CG2 3.25Å; F537-V541 PolarHBondContact O-N 2.89Å; L538-V541 PolarHBondContact O-N 2.95Å; V541-I544 PolarHBondContact O-N 3.4Å; V541-A545 VanDerWaalsContact O-CB 3.32Å; V541-A545 WeakPolarHBondContact O-CB 3.47Å; V541-A545 PolarHBondContact O-N 3.47Å
542	T	88.4	Confident	85.7	Confident	67 Å²	67	92.1 Å²	92.1	41%	0.411	49%	0.493	S	S	.	.	H	α-helix	trans	-67.9	-34.1	175.9	50.1	0	0	0	0	112.6	L538 I539 A545 L546	L538-T542 HydrophobicContact CD2-CG2 4.24Å; L538-T542 WeakPolarHBondContact O-CB 3.47Å; L538-T542 WeakPolarHBondContact O-CG2 3.37Å; L538-T542 PolarHBondContact O-N 3.41Å; L538-T542 PolarHBondContact O-OG1 2.89Å; I539-T542 WeakPolarHBondContact CA-OG1 3.45Å; I539-T542 PolarHBondContact O-OG1 3.31Å; T542-A545 PolarHBondContact O-N 3.44Å; T542-L546 VanDerWaalsContact O-CB 3.31Å; T542-L546 WeakPolarHBondContact O-CB 3.31Å; T542-L546 WeakPolarHBondContact O-CG 3.36Å; T542-L546 PolarHBondContact O-N 3.26Å
543	S	88.1	Confident	85.1	Confident	55 Å²	55	90.2 Å²	90.2	39%	0.385	48%	0.483	S	S	.	.	H	α-helix	trans	-67.2	-41.4	173.1	-60.7	0	0	0	0	112	I539 I540 L546 L547	I539-S543 WeakPolarHBondContact O-CB 3.16Å; I539-S543 PolarHBondContact O-N 2.91Å; I539-S543 PolarHBondContact O-OG 3.5Å; I540-S543 PolarHBondContact O-N 2.91Å; S543-L546 PolarHBondContact O-N 3.35Å; S543-L547 WeakPolarHBondContact O-CB 3.4Å; S543-L547 WeakPolarHBondContact O-CG 3.33Å; S543-L547 PolarHBondContact O-N 3.45Å
544	I	89.8	Confident	84.5	Confident	98 Å²	98	94.8 Å²	94.8	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-66	-43.5	174.5	-68.5	167.1	0	0	0	110.3	I540 V541 L546 L547 V548	I540-I544 HydrophobicContact CG2-CD1 3.77Å; I540-I544 VanDerWaalsContact O-CG1 3.31Å; I540-I544 WeakPolarHBondContact O-CG1 3.31Å; I540-I544 PolarHBondContact O-N 3.39Å; V541-I544 PolarHBondContact O-N 3.4Å; I544-L546 PolarHBondContact O-N 3.42Å; I544-L547 PolarHBondContact O-N 3.5Å; I544-V548 WeakPolarHBondContact O-CG2 3.28Å; I544-V548 PolarHBondContact O-N 2.83Å
545	A	85.4	Confident	83.6	Confident	49 Å²	49	91.3 Å²	91.3	41%	0.405	48%	0.476	S	S	.	.	H	α-helix	trans	-61.3	-42.8	175.1	0	0	0	0	0	111.7	V541 T542 V548 V549	V541-A545 VanDerWaalsContact O-CB 3.32Å; V541-A545 WeakPolarHBondContact O-CB 3.47Å; V541-A545 PolarHBondContact O-N 3.47Å; T542-A545 PolarHBondContact O-N 3.44Å; A545-V548 PolarHBondContact O-N 2.91Å; A545-V549 WeakPolarHBondContact O-CB 3.41Å; A545-V549 VanDerWaalsContact O-CG2 3.29Å; A545-V549 WeakPolarHBondContact O-CG2 3.42Å; A545-V549 PolarHBondContact O-N 3.3Å
546	L	85.6	Confident	82	Confident	106 Å²	106	91.9 Å²	91.9	56%	0.555	48%	0.479	S	S	*	.	H	α-helix	trans	-63	-40.1	173	-81.4	167.8	0	0	0	112.1	T542 S543 I544 V549 L550	T542-L546 VanDerWaalsContact O-CB 3.31Å; T542-L546 WeakPolarHBondContact O-CB 3.31Å; T542-L546 WeakPolarHBondContact O-CG 3.36Å; T542-L546 PolarHBondContact O-N 3.26Å; S543-L546 PolarHBondContact O-N 3.35Å; I544-L546 PolarHBondContact O-N 3.42Å; L546-V549 PolarHBondContact O-N 2.93Å; L546-L550 VanDerWaalsContact O-CB 3.26Å; L546-L550 WeakPolarHBondContact O-CB 3.49Å; L546-L550 WeakPolarHBondContact O-CG 3.48Å; L546-L550 PolarHBondContact O-N 3.06Å
547	L	86.3	Confident	80.5	Confident	116 Å²	116	96.2 Å²	96.2	61%	0.607	49%	0.491	S	S	*	.	H	α-helix	trans	-65.6	-38.1	174.4	-75.5	167.6	0	0	0	112.2	S543 I544 Y551	S543-L547 WeakPolarHBondContact O-CB 3.4Å; S543-L547 WeakPolarHBondContact O-CG 3.33Å; S543-L547 PolarHBondContact O-N 3.45Å; I544-L547 PolarHBondContact O-N 3.5Å; L547-Y551 WeakPolarHBondContact O-CB 3.28Å; L547-Y551 PolarHBondContact O-N 3.02Å
548	V	83.1	Confident	79	Confident	83 Å²	83	97.9 Å²	97.9	50%	0.503	50%	0.498	S	S	.	.	H	α-helix	trans	-68.4	-39	173.8	171.3	0	0	0	0	111.3	I544 A545 Y551 K552	I544-V548 WeakPolarHBondContact O-CG2 3.28Å; I544-V548 PolarHBondContact O-N 2.83Å; A545-V548 PolarHBondContact O-N 2.91Å; V548-Y551 PolarHBondContact O-N 3.33Å; V548-K552 WeakPolarHBondContact O-CB 3.35Å; V548-K552 WeakPolarHBondContact O-CG 3.38Å; V548-K552 PolarHBondContact O-N 3.36Å
549	V	82	Confident	77.2	Confident	75 Å²	75	100.8 Å²	100.8	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-67.1	-42.9	174.1	167.1	0	0	0	0	111	A545 L546 K552 I553	A545-V549 WeakPolarHBondContact O-CB 3.41Å; A545-V549 VanDerWaalsContact O-CG2 3.29Å; A545-V549 WeakPolarHBondContact O-CG2 3.42Å; A545-V549 PolarHBondContact O-N 3.3Å; L546-V549 PolarHBondContact O-N 2.93Å; V549-K552 CarbonylContact O-C 3.55Å; V549-K552 WeakPolarHBondContact O-CB 3.18Å; V549-K552 PolarHBondContact O-N 3.25Å; V549-I553 HydrophobicContact CG1-CD1 3.73Å; V549-I553 HydrophobicContact CG1-CG1 4.42Å; V549-I553 WeakPolarHBondContact O-CB 3.35Å; V549-I553 VanDerWaalsContact O-CG1 3.23Å; V549-I553 WeakPolarHBondContact O-CG1 3.5Å; V549-I553 PolarHBondContact O-N 3.13Å
550	L	81.3	Confident	75	Confident	102 Å²	102	103.7 Å²	103.7	53%	0.534	51%	0.512	S	S	.	.	H	α-helix	trans	-66.5	-35.5	174.9	-73.2	167.9	0	0	0	111.9	L546 I553 Y554	L546-L550 VanDerWaalsContact O-CB 3.26Å; L546-L550 WeakPolarHBondContact O-CB 3.49Å; L546-L550 WeakPolarHBondContact O-CG 3.48Å; L546-L550 PolarHBondContact O-N 3.06Å; L550-I553 PolarHBondContact O-N 2.65Å; L550-Y554 WeakPolarHBondContact O-CB 3.23Å; L550-Y554 PolarHBondContact O-N 3.47Å
551	Y	79.5	Confident	72.7	Confident	163 Å²	163	104.3 Å²	104.3	64%	0.639	53%	0.525	S	S	*	.	H	α-helix	trans	-67.4	-41.3	171.7	179	-98.4	0	0	0	111.9	L547 V548 Y554 D555	L547-Y551 WeakPolarHBondContact O-CB 3.28Å; L547-Y551 PolarHBondContact O-N 3.02Å; V548-Y551 PolarHBondContact O-N 3.33Å; Y551-Y554 PolarHBondContact O-N 3.28Å; Y551-D555 PolarHBondContact O-N 2.94Å
552	K	72.9	Confident	70.4	Confident	131 Å²	131	105.9 Å²	105.9	57%	0.57	54%	0.538	S	S	*	.	H	α-helix	trans	-62.5	-39.8	170.3	-82	-82.7	-173.7	172	0	111.9	V548 V549 D555 L556	V548-K552 WeakPolarHBondContact O-CB 3.35Å; V548-K552 WeakPolarHBondContact O-CG 3.38Å; V548-K552 PolarHBondContact O-N 3.36Å; V549-K552 CarbonylContact O-C 3.55Å; V549-K552 WeakPolarHBondContact O-CB 3.18Å; V549-K552 PolarHBondContact O-N 3.25Å; K552-D555 PolarHBondContact O-N 2.88Å; K552-L556 VanDerWaalsContact O-CB 3.23Å; K552-L556 WeakPolarHBondContact O-CB 3.43Å; K552-L556 WeakPolarHBondContact O-CD1 3.42Å; K552-L556 VanDerWaalsContact O-CG 3.28Å; K552-L556 WeakPolarHBondContact O-CG 3.1Å; K552-L556 PolarHBondContact O-N 3.48Å
553	I	70.9	Confident	67.7	Low	73 Å²	73	109.9 Å²	109.9	37%	0.374	56%	0.557	S	S	.	*	H	α-helix	trans	-68.2	-35.8	175	-71.9	166	0	0	0	110.7	V549 L550 L556 H557	V549-I553 HydrophobicContact CG1-CD1 3.73Å; V549-I553 HydrophobicContact CG1-CG1 4.42Å; V549-I553 WeakPolarHBondContact O-CB 3.35Å; V549-I553 VanDerWaalsContact O-CG1 3.23Å; V549-I553 WeakPolarHBondContact O-CG1 3.5Å; V549-I553 PolarHBondContact O-N 3.13Å; L550-I553 PolarHBondContact O-N 2.65Å; I553-L556 PolarHBondContact O-N 2.87Å; I553-H557 WeakPolarHBondContact O-CB 3.26Å; I553-H557 PolarHBondContact O-CD2 2.86Å; I553-H557 VanDerWaalsContact O-CD2 3.3Å; I553-H557 PolarHBondContact O-N 2.89Å
554	Y	72.3	Confident	65.1	Low	155 Å²	155	114.1 Å²	114.1	61%	0.608	57%	0.574	S	S	*	*	H	α-helix	trans	-66.8	-45.8	173.5	172.5	-96.7	0	0	0	111.9	L550 Y551 L556 H557 K558	L550-Y554 WeakPolarHBondContact O-CB 3.23Å; L550-Y554 PolarHBondContact O-N 3.47Å; Y551-Y554 PolarHBondContact O-N 3.28Å; Y554-L556 VanDerWaalsContact C-N 3.34Å; Y554-H557 PolarHBondContact O-N 3.49Å; Y554-K558 VanDerWaalsContact O-CB 3.26Å; Y554-K558 WeakPolarHBondContact O-CB 3.31Å; Y554-K558 PolarHBondContact O-N 3.36Å
555	D	66.1	Low	62.5	Low	50 Å²	50	115.9 Å²	115.9	27%	0.267	59%	0.585	S	S	.	*	H	α-helix	trans	-63.7	-37.8	172.6	179.2	58.2	0	0	0	112	Y551 K552 K558 K559	Y551-D555 PolarHBondContact O-N 2.94Å; K552-D555 PolarHBondContact O-N 2.88Å; D555-K558 PolarHBondContact O-N 3.24Å; D555-K559 WeakPolarHBondContact O-CD 3.32Å; D555-K559 WeakPolarHBondContact O-CG 3.2Å; D555-K559 PolarHBondContact O-N 2.85Å; D555-K559 VanDerWaalsContact OD1-CE 3.22Å; D555-K559 WeakPolarHBondContact OD1-CE 3.45Å; D555-K559 IonicContact OD1-NZ 3.68Å; D555-K559 PolarHBondContact OD1-NZ 2.84Å; D555-K559 IonicContact OD2-NZ 2.75Å; D555-K559 PolarHBondContact OD2-NZ 2.86Å
556	L	54.5	Low	60	Low	99 Å²	99	122.5 Å²	122.5	52%	0.518	61%	0.607	S	S	.	*	H	α-helix	trans	-67.1	-45	172.9	-81.5	163.7	0	0	0	112.2	K552 I553 Y554 K558 K559 R560	K552-L556 VanDerWaalsContact O-CB 3.23Å; K552-L556 WeakPolarHBondContact O-CB 3.43Å; K552-L556 WeakPolarHBondContact O-CD1 3.42Å; K552-L556 VanDerWaalsContact O-CG 3.28Å; K552-L556 WeakPolarHBondContact O-CG 3.1Å; K552-L556 PolarHBondContact O-N 3.48Å; I553-L556 PolarHBondContact O-N 2.87Å; Y554-L556 VanDerWaalsContact C-N 3.34Å; L556-K558 VanDerWaalsContact C-N 3.31Å; L556-K558 PolarHBondContact O-N 3.29Å; L556-K559 CarbonylContact O-C 3.57Å; L556-K559 WeakPolarHBondContact O-CA 3.38Å; L556-K559 PolarHBondContact O-N 3.15Å; L556-R560 WeakPolarHBondContact O-CA 3.37Å; L556-R560 WeakPolarHBondContact O-CB 3.37Å; L556-R560 PolarHBondContact O-N 3.44Å
557	H	55.9	Low	57.5	Low	134 Å²	134	126.3 Å²	126.3	62%	0.62	62%	0.622	S	S	*	*	H	α-helix	trans	-63.6	-37.3	174.9	-91	-114.8	0	0	0	111.6	I553 Y554 K559 R560 S561	I553-H557 WeakPolarHBondContact O-CB 3.26Å; I553-H557 PolarHBondContact O-CD2 2.86Å; I553-H557 VanDerWaalsContact O-CD2 3.3Å; I553-H557 PolarHBondContact O-N 2.89Å; Y554-H557 PolarHBondContact O-N 3.49Å; H557-K559 PolarHBondContact O-N 3.33Å; H557-R560 CarbonylContact O-C 3.58Å; H557-R560 PolarHBondContact O-N 2.89Å; H557-R560 VanDerWaalsContact O-N 3.17Å; H557-S561 PolarHBondContact O-N 2.98Å
558	K	57.3	Low	55	Low	154 Å²	154	129.7 Å²	129.7	67%	0.67	64%	0.635	S	S	*	*	H	α-helix	trans	-62.5	-25.9	171.7	-173.4	175.4	179.2	179.7	0	112.8	Y554 D555 L556	Y554-K558 VanDerWaalsContact O-CB 3.26Å; Y554-K558 WeakPolarHBondContact O-CB 3.31Å; Y554-K558 PolarHBondContact O-N 3.36Å; D555-K558 PolarHBondContact O-N 3.24Å; L556-K558 VanDerWaalsContact C-N 3.31Å; L556-K558 PolarHBondContact O-N 3.29Å
559	K	51.7	Low	52.7	Low	137 Å²	137	134.1 Å²	134.1	60%	0.596	65%	0.65	S	S	*	*	H	α-helix	trans	-95.3	-17.9	173.5	-70.5	163.9	-177.8	164.2	0	113.7	D555 L556 H557	D555-K559 WeakPolarHBondContact O-CD 3.32Å; D555-K559 WeakPolarHBondContact O-CG 3.2Å; D555-K559 PolarHBondContact O-N 2.85Å; D555-K559 VanDerWaalsContact OD1-CE 3.22Å; D555-K559 WeakPolarHBondContact OD1-CE 3.45Å; D555-K559 IonicContact OD1-NZ 3.68Å; D555-K559 PolarHBondContact OD1-NZ 2.84Å; D555-K559 IonicContact OD2-NZ 2.75Å; D555-K559 PolarHBondContact OD2-NZ 2.86Å; L556-K559 CarbonylContact O-C 3.57Å; L556-K559 WeakPolarHBondContact O-CA 3.38Å; L556-K559 PolarHBondContact O-N 3.15Å; H557-K559 PolarHBondContact O-N 3.33Å
560	R	43.5	Very low	50.6	Low	165 Å²	165	137.9 Å²	137.9	62%	0.623	67%	0.667	S	S	*	*			trans	-106.2	34.4	-177.3	-154	178.9	-168.2	174.8	6	112.4	L556 H557	L556-R560 WeakPolarHBondContact O-CA 3.37Å; L556-R560 WeakPolarHBondContact O-CB 3.37Å; L556-R560 PolarHBondContact O-N 3.44Å; H557-R560 CarbonylContact O-C 3.58Å; H557-R560 PolarHBondContact O-N 2.89Å; H557-R560 VanDerWaalsContact O-N 3.17Å
561	S	41.6	Very low	48.6	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	68%	0.681	S	S	*	*	S	Bend	trans	-79.7	5.6	149.1	-170.2	0	0	0	0	111.6	H557	H557-S561 PolarHBondContact O-N 2.98Å
562	C	41.8	Very low	47	Very low	99 Å²	99	140 Å²	140	67%	0.669	69%	0.689	S	S	*	*	S	Bend	trans	-125.2	139.9	169.8	-61.4	0	0	0	0	110
563	N	32.1	Very low	46	Very low	151 Å²	151	143.5 Å²	143.5	81%	0.807	70%	0.699	S	S	*	*			trans	58.3	120	-174.1	-81.4	-16.9	0	0	0	118.5
564	L	33.5	Very low	45.5	Very low	144 Å²	144	143.7 Å²	143.7	75%	0.754	70%	0.701	S	S	*	*			trans	-81.4	176.9	165.2	-143.7	75.1	0	0	0	110.1
565	D	34.3	Very low	45.2	Very low	136 Å²	136	137.2 Å²	137.2	73%	0.727	68%	0.677	S	S	*	*			trans	45.7	113.5	162.5	-59.1	-15.7	0	0	0	119.1
566	E	32.8	Very low	45.1	Very low	187 Å²	187	140 Å²	140	87%	0.874	69%	0.688	S	S	*	*				-151.6	165	119.9	-124.5	168.6	-163.4	0	0	110.5
567	Q	33.7	Very low	45.6	Very low	187 Å²	187	143.5 Å²	143.5	87%	0.874	70%	0.699	S	S	*	*			trans	-79	150.4	-159.6	-63.1	174.2	-95.1	0	0	113.6	E569	Q567-E569 PolarHBondContact O-N 3.38Å
568	Q	34.2	Very low	46.2	Very low	186 Å²	186	142.6 Å²	142.6	87%	0.869	70%	0.695	S	S	*	*			trans	-80.3	86	176.3	-173.2	170.3	-8.1	0	0	110.8
569	E	33.9	Very low	47.4	Very low	177 Å²	177	138.8 Å²	138.8	83%	0.827	68%	0.682	S	S	*	*			trans	-64.7	133.1	169.9	-168.9	167.2	-135.4	0	0	110.6	Q567 V571	Q567-E569 PolarHBondContact O-N 3.38Å; E569-V571 PolarHBondContact O-N 3.28Å
570	L	38.5	Very low	49.1	Very low	153 Å²	153	137.2 Å²	137.2	80%	0.801	68%	0.678	S	S	*	*			trans	-79.5	108.3	178.3	-78.5	165.7	0	0	0	109.1	E572	L570-E572 PolarHBondContact O-N 3.26Å
571	V	38.5	Very low	51.1	Low	138 Å²	138	137.4 Å²	137.4	84%	0.836	69%	0.691	S	S	*	*			trans	-61.3	104.2	171.1	179.8	0	0	0	0	109	E569 R573	E569-V571 PolarHBondContact O-N 3.28Å; V571-R573 PolarHBondContact O-N 2.89Å
572	E	46.7	Very low	53.3	Low	172 Å²	172	134.6 Å²	134.6	80%	0.804	67%	0.669	S	S	*	*			trans	-57.7	125.7	164.9	-74.8	-166.7	123.6	0	0	108.7	L570 D574	L570-E572 PolarHBondContact O-N 3.26Å; E572-D574 PolarHBondContact O-N 3.17Å
573	R	52.4	Low	55.5	Low	204 Å²	204	137.9 Å²	137.9	77%	0.77	67%	0.674	S	S	*	*			trans	-75.1	115.4	162.6	-75.2	-174.1	178.4	153.7	1.1	107.2	V571 D575	V571-R573 PolarHBondContact O-N 2.89Å; R573-D575 WeakPolarHBondContact CB-OD1 3.46Å; R573-D575 PolarHBondContact O-N 2.66Å
574	D	60.8	Low	58.5	Low	78 Å²	78	135.6 Å²	135.6	42%	0.417	67%	0.668	S	S	.	*			trans	-71.6	81	169	-172.6	-16.1	0	0	0	108.9	E572 E576 K577	E572-D574 PolarHBondContact O-N 3.17Å; D574-E576 PolarHBondContact O-N 2.85Å; D574-E576 VanDerWaalsContact O-N 3.12Å; D574-E576 PolarHBondContact OD1-N 2.69Å; D574-K577 HydrophobicContact CB-CD 4.34Å; D574-K577 HydrophobicContact CB-CG 4.35Å; D574-K577 WeakPolarHBondContact O-CB 3.44Å; D574-K577 PolarHBondContact O-N 3.42Å; D574-K577 PolarHBondContact OD1-N 3.35Å; D574-K577 IonicContact OD2-NZ 2.89Å; D574-K577 PolarHBondContact OD2-NZ 3.07Å
575	D	64.9	Low	61.4	Low	19 Å²	19	131.8 Å²	131.8	10%	0.102	65%	0.648	C	S	.	*	G	3₁₀ helix	trans	-61.9	-16.8	-175.8	-65.1	-34.5	0	0	0	112.5	R573 P613 F616 S617	R573-D575 WeakPolarHBondContact CB-OD1 3.46Å; R573-D575 PolarHBondContact O-N 2.66Å; D575-P613 HydrophobicContact CB-CB 4.47Å; D575-P613 HydrophobicContact CB-CG 4.36Å; D575-F616 HydrophobicContact CB-CD1 4.23Å; D575-S617 WeakPolarHBondContact OD2-CB 3.46Å; D575-S617 PolarHBondContact OD2-N 2.85Å; D575-S617 PolarHBondContact OD2-OG 2.76Å
576	E	64.9	Low	64.3	Low	107 Å²	107	131.3 Å²	131.3	50%	0.5	64%	0.641	S	S	.	*	G	3₁₀ helix	trans	-75.4	-30.4	174.7	-62.3	-165.7	169.7	0	0	112.3	D574 Q578 L579 K618	D574-E576 PolarHBondContact O-N 2.85Å; D574-E576 VanDerWaalsContact O-N 3.12Å; D574-E576 PolarHBondContact OD1-N 2.69Å; E576-Q578 PolarHBondContact O-N 3.3Å; E576-Q578 VanDerWaalsContact O-N 3.16Å; E576-L579 PolarHBondContact O-N 3.23Å; E576-K618 IonicContact OE1-NZ 3.32Å; E576-K618 PolarHBondContact OE1-NZ 2.56Å
577	K	64.6	Low	67.2	Low	174 Å²	174	126.7 Å²	126.7	76%	0.757	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-66.5	-11.2	174.1	-76.1	-173.1	174.5	81.9	0	114	D574	D574-K577 HydrophobicContact CB-CD 4.34Å; D574-K577 HydrophobicContact CB-CG 4.35Å; D574-K577 WeakPolarHBondContact O-CB 3.44Å; D574-K577 PolarHBondContact O-N 3.42Å; D574-K577 PolarHBondContact OD1-N 3.35Å; D574-K577 IonicContact OD2-NZ 2.89Å; D574-K577 PolarHBondContact OD2-NZ 3.07Å
578	Q	67.4	Low	70.2	Confident	114 Å²	114	124 Å²	124	53%	0.533	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-89.2	-20.7	176.8	-175.1	169.2	-31.6	0	0	113.3	E576 M580	E576-Q578 PolarHBondContact O-N 3.3Å; E576-Q578 VanDerWaalsContact O-N 3.16Å; Q578-M580 PolarHBondContact O-N 3.04Å
579	L	83.2	Confident	73.1	Confident	75 Å²	75	118.7 Å²	118.7	39%	0.393	60%	0.603	S	S	.	*	S	Bend	trans	-67	128.7	-177.8	-69	170.6	0	0	0	111.4	E576 N581 F616	E576-L579 PolarHBondContact O-N 3.23Å; L579-N581 PolarHBondContact O-N 3.19Å; L579-F616 HydrophobicContact CD1-CE1 4.31Å
580	M	86.9	Confident	76	Confident	104 Å²	104	114.5 Å²	114.5	51%	0.512	59%	0.586	S	S	.	*			trans	-72.8	128.1	169.5	-75.8	178.8	66.2	0	0	109.8	Q578 V582 A607 S611	Q578-M580 PolarHBondContact O-N 3.04Å; M580-V582 HydrophobicContact CB-CG2 4.17Å; M580-V582 PolarHBondContact O-N 2.68Å; M580-V582 VanDerWaalsContact O-N 3.15Å; M580-A607 HydrophobicContact SD-CB 4.31Å; M580-S611 PolarHBondContact N-OG 3.35Å
581	N	86.3	Confident	78.7	Confident	168 Å²	168	112.5 Å²	112.5	90%	0.898	58%	0.575	S	S	*	*			trans	-70.1	108.4	169.2	-176.8	29.3	0	0	0	109.5	L579	L579-N581 PolarHBondContact O-N 3.19Å
582	V	88.5	Confident	81.3	Confident	54 Å²	54	112.8 Å²	112.8	33%	0.327	57%	0.568	S	S	.	*			trans	-115.5	125.5	-179.2	-179.3	0	0	0	0	109.8	M580 E608	M580-V582 HydrophobicContact CB-CG2 4.17Å; M580-V582 PolarHBondContact O-N 2.68Å; M580-V582 VanDerWaalsContact O-N 3.15Å; V582-E608 HydrophobicContact CG2-CG 4.02Å
583	E	87.9	Confident	83.6	Confident	167 Å²	167	105 Å²	105	78%	0.78	53%	0.532	S	S	*	.			trans	-68.6	131.9	179	-170.4	169.2	-148.8	0	0	111.5	I585	E583-I585 PolarHBondContact O-N 3.44Å
584	P	94.3	Very high	85.6	Confident	104 Å²	104	101 Å²	101	68%	0.675	52%	0.518	S	S	*	.			trans	-57.2	127.1	175.7	-26.8	35.8	0	0	0	112.2	H586	P584-H586 PolarHBondContact O-CD2 3.22Å; P584-H586 PolarHBondContact O-N 3.38Å
585	I	94.7	Very high	87.2	Confident	63 Å²	63	103.2 Å²	103.2	32%	0.323	52%	0.524	S	S	.	.			trans	-80.1	111.9	-174.3	-51	171.5	0	0	0	109.6	E583 I589 L590 T593	E583-I585 PolarHBondContact O-N 3.44Å; I585-I589 HydrophobicContact CG2-CG1 4.24Å; I585-L590 HydrophobicContact CB-CD1 4.35Å; I585-L590 HydrophobicContact CG2-CB 4.26Å; I585-L590 HydrophobicContact CG2-CD1 3.78Å; I585-T593 HydrophobicContact CD1-CG2 3.73Å; I585-T593 HydrophobicContact CG1-CG2 4.02Å; I585-T593 HydrophobicContact CG2-CG2 4.05Å
586	H	95.4	Very high	88.6	Confident	127 Å²	127	109.9 Å²	109.9	59%	0.588	55%	0.547	S	S	*	.			trans	-68	151	173.9	-74.6	-110.2	0	0	0	111.8	P584 D588 I589 L590	P584-H586 PolarHBondContact O-CD2 3.22Å; P584-H586 PolarHBondContact O-N 3.38Å; H586-D588 VanDerWaalsContact C-N 3.31Å; H586-D588 WeakPolarHBondContact CB-OD1 3.49Å; H586-D588 PolarHBondContact O-N 3.25Å; H586-I589 HydrophobicContact CB-CD1 4.46Å; H586-I589 HydrophobicContact CB-CG1 4.12Å; H586-I589 WeakPolarHBondContact O-CG1 3.33Å; H586-I589 PolarHBondContact O-N 3.48Å; H586-L590 PolarHBondContact O-N 2.82Å; H586-L590 VanDerWaalsContact O-N 3.09Å
587	A	94.3	Very high	89.9	Confident	90 Å²	90	105.9 Å²	105.9	74%	0.744	53%	0.528	S	S	*	.	S	Bend	trans	-68.7	-26.1	-167.5	0	0	0	0	0	114.4
588	D	95.6	Very high	91.3	Very high	131 Å²	131	101.1 Å²	101.1	70%	0.701	51%	0.51	S	S	*	.	S	Bend	trans	-68.1	-46.2	173.6	53.8	-13.7	0	0	0	112.2	H586 L590	H586-D588 VanDerWaalsContact C-N 3.31Å; H586-D588 WeakPolarHBondContact CB-OD1 3.49Å; H586-D588 PolarHBondContact O-N 3.25Å; D588-L590 VanDerWaalsContact C-N 3.34Å
589	I	95.1	Very high	92.2	Very high	73 Å²	73	99.8 Å²	99.8	37%	0.374	52%	0.519	S	S	.	.	S	Bend	trans	-87.8	3	179.4	64.1	169.7	0	0	0	113.9	I585 H586 E592 T593	I585-I589 HydrophobicContact CG2-CG1 4.24Å; H586-I589 HydrophobicContact CB-CD1 4.46Å; H586-I589 HydrophobicContact CB-CG1 4.12Å; H586-I589 WeakPolarHBondContact O-CG1 3.33Å; H586-I589 PolarHBondContact O-N 3.48Å; I589-E592 PolarHBondContact O-N 2.85Å; I589-T593 VanDerWaalsContact O-CB 3.29Å; I589-T593 WeakPolarHBondContact O-CB 3.34Å; I589-T593 PolarHBondContact O-N 2.87Å; I589-T593 PolarHBondContact O-OG1 2.87Å; I589-T593 VanDerWaalsContact O-OG1 3.12Å
590	L	95.9	Very high	92.3	Very high	90 Å²	90	100 Å²	100	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-48.2	-172.1	178.5	60.2	0	0	0	112.8	I585 H586 D588 E592 T593 Y594	I585-L590 HydrophobicContact CB-CD1 4.35Å; I585-L590 HydrophobicContact CG2-CB 4.26Å; I585-L590 HydrophobicContact CG2-CD1 3.78Å; H586-L590 PolarHBondContact O-N 2.82Å; H586-L590 VanDerWaalsContact O-N 3.09Å; D588-L590 VanDerWaalsContact C-N 3.34Å; L590-E592 PolarHBondContact O-N 3.3Å; L590-T593 PolarHBondContact O-N 3.21Å; L590-Y594 VanDerWaalsContact O-CB 3.29Å; L590-Y594 WeakPolarHBondContact O-CB 3.38Å; L590-Y594 PolarHBondContact O-N 3.48Å
591	L	93.8	Very high	92.3	Very high	110 Å²	110	104.4 Å²	104.4	58%	0.576	54%	0.54	S	S	*	.	H	α-helix	trans	-66.1	-38.7	-178	-179.2	60.6	0	0	0	112	K595	L591-K595 HydrophobicContact CG-CD 4.44Å; L591-K595 WeakPolarHBondContact O-CB 3.4Å; L591-K595 VanDerWaalsContact O-CG 3.28Å; L591-K595 WeakPolarHBondContact O-CG 3.29Å; L591-K595 PolarHBondContact O-N 3.42Å
592	E	94.7	Very high	92.5	Very high	145 Å²	145	97 Å²	97	68%	0.678	50%	0.503	S	S	*	.	H	α-helix	trans	-72.4	-41.6	178.2	-59.5	-166	159.4	0	0	111.6	I589 L590 K595 R596	I589-E592 PolarHBondContact O-N 2.85Å; L590-E592 PolarHBondContact O-N 3.3Å; E592-K595 PolarHBondContact O-N 2.82Å; E592-R596 VanDerWaalsContact O-CB 3.27Å; E592-R596 WeakPolarHBondContact O-CB 3.34Å; E592-R596 PolarHBondContact O-N 2.82Å
593	T	93.3	Very high	92.6	Very high	8 Å²	8	101.4 Å²	101.4	5%	0.049	51%	0.514	C	S	.	.	H	α-helix	trans	-67.4	-37.4	176.3	-66.3	0	0	0	0	111.8	I585 I589 L590 R596 K597	I585-T593 HydrophobicContact CD1-CG2 3.73Å; I585-T593 HydrophobicContact CG1-CG2 4.02Å; I585-T593 HydrophobicContact CG2-CG2 4.05Å; I589-T593 VanDerWaalsContact O-CB 3.29Å; I589-T593 WeakPolarHBondContact O-CB 3.34Å; I589-T593 PolarHBondContact O-N 2.87Å; I589-T593 PolarHBondContact O-OG1 2.87Å; I589-T593 VanDerWaalsContact O-OG1 3.12Å; L590-T593 PolarHBondContact O-N 3.21Å; T593-R596 PolarHBondContact O-N 3.46Å; T593-R596 PolarHBondContact OG1-NH2 3.13Å; T593-R596 VanDerWaalsContact OG1-NH2 3.09Å; T593-K597 HydrophobicContact CG2-CD 4.3Å; T593-K597 HydrophobicContact CG2-CG 4.36Å; T593-K597 WeakPolarHBondContact O-CB 3.31Å; T593-K597 WeakPolarHBondContact O-CG 3.47Å; T593-K597 PolarHBondContact O-N 3.36Å
594	Y	95.3	Very high	92.7	Very high	120 Å²	120	97.2 Å²	97.2	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-52.2	171.2	177.5	-95.8	0	0	0	111.5	L590 R596 K597 I598 F605	L590-Y594 VanDerWaalsContact O-CB 3.29Å; L590-Y594 WeakPolarHBondContact O-CB 3.38Å; L590-Y594 PolarHBondContact O-N 3.48Å; Y594-R596 VanDerWaalsContact C-N 3.31Å; Y594-R596 PolarHBondContact O-N 3.23Å; Y594-K597 PolarHBondContact O-N 2.76Å; Y594-I598 HydrophobicContact CE1-CD1 4.33Å; Y594-I598 HydrophobicContact CE1-CG2 4.28Å; Y594-I598 WeakPolarHBondContact O-CG2 3.31Å; Y594-I598 PolarHBondContact O-N 3.05Å; Y594-I598 WeakPolarHBondContact OH-CD1 3.36Å; Y594-F605 HydrophobicContact CD2-CE2 4.02Å; Y594-F605 AromaticContact CD2-CZ 3.82Å; Y594-F605 HydrophobicContact CD2-CZ 3.82Å; Y594-F605 HydrophobicContact CE2-CE2 4.21Å; Y594-F605 HydrophobicContact CE2-CZ 4.33Å
595	K	93.7	Very high	92.7	Very high	125 Å²	125	95.4 Å²	95.4	54%	0.543	48%	0.478	S	S	.	.	H	α-helix	trans	-55.2	-44.8	175.9	-76.4	173.1	179.5	178.4	0	111.9	L591 E592 A599	L591-K595 HydrophobicContact CG-CD 4.44Å; L591-K595 WeakPolarHBondContact O-CB 3.4Å; L591-K595 VanDerWaalsContact O-CG 3.28Å; L591-K595 WeakPolarHBondContact O-CG 3.29Å; L591-K595 PolarHBondContact O-N 3.42Å; E592-K595 PolarHBondContact O-N 2.82Å; K595-A599 WeakPolarHBondContact O-CB 3.33Å; K595-A599 PolarHBondContact O-N 3.25Å; K595-A599 VanDerWaalsContact O-N 3.1Å
596	R	94.1	Very high	92.6	Very high	159 Å²	159	96.5 Å²	96.5	60%	0.6	48%	0.484	S	S	*	.	H	α-helix	trans	-63	-44.5	176.5	175.6	174.9	56.5	145.6	-5	112.6	E592 T593 Y594	E592-R596 VanDerWaalsContact O-CB 3.27Å; E592-R596 WeakPolarHBondContact O-CB 3.34Å; E592-R596 PolarHBondContact O-N 2.82Å; T593-R596 PolarHBondContact O-N 3.46Å; T593-R596 PolarHBondContact OG1-NH2 3.13Å; T593-R596 VanDerWaalsContact OG1-NH2 3.09Å; Y594-R596 VanDerWaalsContact C-N 3.31Å; Y594-R596 PolarHBondContact O-N 3.23Å
597	K	92.3	Very high	92.3	Very high	23 Å²	23	92.2 Å²	92.2	10%	0.1	47%	0.47	C	S	.	.	H	α-helix	trans	-73	-26.2	-179.3	-75.2	-171.1	179.4	-173.9	0	113.2	T593 Y594 L604 F605 E608	T593-K597 HydrophobicContact CG2-CD 4.3Å; T593-K597 HydrophobicContact CG2-CG 4.36Å; T593-K597 WeakPolarHBondContact O-CB 3.31Å; T593-K597 WeakPolarHBondContact O-CG 3.47Å; T593-K597 PolarHBondContact O-N 3.36Å; Y594-K597 PolarHBondContact O-N 2.76Å; K597-L604 HydrophobicContact CB-CB 4.24Å; K597-L604 HydrophobicContact CG-CB 4.19Å; K597-F605 HydrophobicContact CB-CD1 4.1Å; K597-F605 HydrophobicContact CB-CD2 3.61Å; K597-F605 HydrophobicContact CB-CE1 3.86Å; K597-F605 HydrophobicContact CB-CE2 3.33Å; K597-F605 HydrophobicContact CB-CG 3.99Å; K597-F605 HydrophobicContact CB-CZ 3.46Å; K597-F605 VanDerWaalsContact CB-CZ 3.46Å; K597-F605 HydrophobicContact CD-CD1 3.75Å; K597-F605 HydrophobicContact CD-CE1 3.43Å; K597-F605 VanDerWaalsContact CD-CE1 3.43Å; K597-F605 HydrophobicContact CD-CG 4.42Å; K597-F605 HydrophobicContact CD-CZ 3.86Å; K597-F605 HydrophobicContact CG-CE1 4.29Å; K597-F605 HydrophobicContact CG-CZ 4.28Å; K597-E608 WeakPolarHBondContact CE-OE2 3.5Å; K597-E608 IonicContact NZ-OE1 2.64Å; K597-E608 PolarHBondContact NZ-OE1 3.06Å; K597-E608 IonicContact NZ-OE2 2.7Å; K597-E608 PolarHBondContact NZ-OE2 3.49Å
598	I	94	Very high	92.2	Very high	74 Å²	74	90.2 Å²	90.2	38%	0.379	45%	0.446	S	S	.	.	H	α-helix	trans	-89.8	-23.8	178.8	-157.5	165.6	0	0	0	114.9	Y594 D600 E601 G602 F605	Y594-I598 HydrophobicContact CE1-CD1 4.33Å; Y594-I598 HydrophobicContact CE1-CG2 4.28Å; Y594-I598 WeakPolarHBondContact O-CG2 3.31Å; Y594-I598 PolarHBondContact O-N 3.05Å; Y594-I598 WeakPolarHBondContact OH-CD1 3.36Å; I598-D600 PolarHBondContact O-N 3.16Å; I598-E601 PolarHBondContact O-N 2.63Å; I598-G602 PolarHBondContact O-N 3.07Å; I598-F605 HydrophobicContact CB-CD2 4.5Å; I598-F605 HydrophobicContact CB-CE2 4.21Å
599	A	86	Confident	92.1	Very high	86 Å²	86	90.9 Å²	90.9	71%	0.711	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.2	-169.5	0	0	0	0	0	116.5	K595	K595-A599 WeakPolarHBondContact O-CB 3.33Å; K595-A599 PolarHBondContact O-N 3.25Å; K595-A599 VanDerWaalsContact O-N 3.1Å
600	D	87.2	Confident	91.8	Very high	78 Å²	78	93.2 Å²	93.2	42%	0.417	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	60.9	-178.9	-174.7	26.5	0	0	0	109.7	I598 G602 R603	I598-D600 PolarHBondContact O-N 3.16Å; D600-G602 PolarHBondContact O-N 3.28Å; D600-R603 WeakPolarHBondContact O-CB 3.46Å; D600-R603 PolarHBondContact O-N 2.75Å; D600-R603 IonicContact OD2-CZ 3.15Å; D600-R603 IonicContact OD2-NE 2.73Å; D600-R603 PolarHBondContact OD2-NE 2.91Å; D600-R603 IonicContact OD2-NH2 2.66Å; D600-R603 PolarHBondContact OD2-NH2 2.84Å
601	E	86.8	Confident	91.6	Very high	198 Å²	198	89.5 Å²	89.5	93%	0.925	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	28.1	-172.3	-62.6	-174.8	172.5	0	0	114.5	I598 R603	I598-E601 PolarHBondContact O-N 2.63Å; E601-R603 PolarHBondContact O-N 3.27Å
602	G	89.9	Confident	91.4	Very high	13 Å²	13	88.7 Å²	88.7	13%	0.134	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	11.6	-172.4	0	0	0	0	0	115.1	I598 D600 L604 F605 L606	I598-G602 PolarHBondContact O-N 3.07Å; D600-G602 PolarHBondContact O-N 3.28Å; G602-L604 PolarHBondContact O-N 3.5Å; G602-F605 CarbonylContact O-C 3.5Å; G602-F605 WeakPolarHBondContact O-CA 3.46Å; G602-F605 WeakPolarHBondContact O-CB 3.46Å; G602-F605 PolarHBondContact O-N 2.81Å; G602-L606 PolarHBondContact O-N 3.09Å
603	R	91.1	Very high	91.2	Very high	146 Å²	146	82.6 Å²	82.6	55%	0.551	40%	0.401	S	S	*	.	H	α-helix	trans	-54.8	-30.1	-175.3	-171.8	176.7	64	85.5	5.1	114	D600 E601 L606 A607	D600-R603 WeakPolarHBondContact O-CB 3.46Å; D600-R603 PolarHBondContact O-N 2.75Å; D600-R603 IonicContact OD2-CZ 3.15Å; D600-R603 IonicContact OD2-NE 2.73Å; D600-R603 PolarHBondContact OD2-NE 2.91Å; D600-R603 IonicContact OD2-NH2 2.66Å; D600-R603 PolarHBondContact OD2-NH2 2.84Å; E601-R603 PolarHBondContact O-N 3.27Å; R603-L606 PolarHBondContact O-N 3.31Å; R603-A607 WeakPolarHBondContact O-CB 3.34Å; R603-A607 PolarHBondContact O-N 3.29Å
604	L	89.6	Confident	90.8	Very high	78 Å²	78	93.9 Å²	93.9	41%	0.408	44%	0.443	S	S	.	.	H	α-helix	trans	-70.1	-44.6	173.8	-68.2	174.8	0	0	0	111.9	K597 G602 L606 E608	K597-L604 HydrophobicContact CB-CB 4.24Å; K597-L604 HydrophobicContact CG-CB 4.19Å; G602-L604 PolarHBondContact O-N 3.5Å; L604-L606 VanDerWaalsContact C-N 3.31Å; L604-L606 PolarHBondContact O-N 2.63Å; L604-E608 VanDerWaalsContact O-CB 3.31Å; L604-E608 WeakPolarHBondContact O-CB 3.28Å; L604-E608 PolarHBondContact O-N 2.84Å; L604-E608 VanDerWaalsContact O-N 3.13Å
605	F	94.4	Very high	90.4	Very high	67 Å²	67	91.4 Å²	91.4	29%	0.294	44%	0.441	S	S	.	.	H	α-helix	trans	-63.3	-36.3	169.9	-73.4	-59.9	0	0	0	112.2	Y594 K597 I598 G602 F609	Y594-F605 HydrophobicContact CD2-CE2 4.02Å; Y594-F605 AromaticContact CD2-CZ 3.82Å; Y594-F605 HydrophobicContact CD2-CZ 3.82Å; Y594-F605 HydrophobicContact CE2-CE2 4.21Å; Y594-F605 HydrophobicContact CE2-CZ 4.33Å; K597-F605 HydrophobicContact CB-CD1 4.1Å; K597-F605 HydrophobicContact CB-CD2 3.61Å; K597-F605 HydrophobicContact CB-CE1 3.86Å; K597-F605 HydrophobicContact CB-CE2 3.33Å; K597-F605 HydrophobicContact CB-CG 3.99Å; K597-F605 HydrophobicContact CB-CZ 3.46Å; K597-F605 VanDerWaalsContact CB-CZ 3.46Å; K597-F605 HydrophobicContact CD-CD1 3.75Å; K597-F605 HydrophobicContact CD-CE1 3.43Å; K597-F605 VanDerWaalsContact CD-CE1 3.43Å; K597-F605 HydrophobicContact CD-CG 4.42Å; K597-F605 HydrophobicContact CD-CZ 3.86Å; K597-F605 HydrophobicContact CG-CE1 4.29Å; K597-F605 HydrophobicContact CG-CZ 4.28Å; I598-F605 HydrophobicContact CB-CD2 4.5Å; I598-F605 HydrophobicContact CB-CE2 4.21Å; G602-F605 CarbonylContact O-C 3.5Å; G602-F605 WeakPolarHBondContact O-CA 3.46Å; G602-F605 WeakPolarHBondContact O-CB 3.46Å; G602-F605 PolarHBondContact O-N 2.81Å; F605-F609 VanDerWaalsContact O-CB 3.23Å; F605-F609 WeakPolarHBondContact O-CB 3.38Å; F605-F609 PolarHBondContact O-N 3.44Å
606	L	91.9	Very high	90	Very high	85 Å²	85	87.7 Å²	87.7	45%	0.445	42%	0.424	S	S	.	.	H	α-helix	trans	-67.1	-43.2	179.1	-176.8	61.3	0	0	0	112	G602 R603 L604 F609 Q610	G602-L606 PolarHBondContact O-N 3.09Å; R603-L606 PolarHBondContact O-N 3.31Å; L604-L606 VanDerWaalsContact C-N 3.31Å; L604-L606 PolarHBondContact O-N 2.63Å; L606-F609 PolarHBondContact O-N 2.89Å; L606-Q610 HydrophobicContact CD1-CG 4.25Å; L606-Q610 HydrophobicContact CG-CG 4.48Å; L606-Q610 VanDerWaalsContact O-CB 3.26Å; L606-Q610 WeakPolarHBondContact O-CB 3.22Å; L606-Q610 WeakPolarHBondContact O-CG 3.39Å; L606-Q610 PolarHBondContact O-N 3.29Å
607	A	89.5	Confident	89.6	Confident	37 Å²	37	84.1 Å²	84.1	31%	0.306	42%	0.424	S	S	.	.	H	α-helix	trans	-65.1	-44.4	176.1	0	0	0	0	0	111.7	M580 R603 Q610 S611	M580-A607 HydrophobicContact SD-CB 4.31Å; R603-A607 WeakPolarHBondContact O-CB 3.34Å; R603-A607 PolarHBondContact O-N 3.29Å; A607-Q610 PolarHBondContact O-N 2.85Å; A607-S611 PolarHBondContact O-N 3.28Å
608	E	92.2	Very high	89.2	Confident	48 Å²	48	87.7 Å²	87.7	22%	0.224	44%	0.44	C	S	.	.	H	α-helix	trans	-57.2	-49.3	173.6	171.7	170.6	170.4	0	0	111.6	V582 K597 L604 S611	V582-E608 HydrophobicContact CG2-CG 4.02Å; K597-E608 WeakPolarHBondContact CE-OE2 3.5Å; K597-E608 IonicContact NZ-OE1 2.64Å; K597-E608 PolarHBondContact NZ-OE1 3.06Å; K597-E608 IonicContact NZ-OE2 2.7Å; K597-E608 PolarHBondContact NZ-OE2 3.49Å; L604-E608 VanDerWaalsContact O-CB 3.31Å; L604-E608 WeakPolarHBondContact O-CB 3.28Å; L604-E608 PolarHBondContact O-N 2.84Å; L604-E608 VanDerWaalsContact O-N 3.13Å; E608-S611 WeakPolarHBondContact O-CB 3.38Å; E608-S611 PolarHBondContact O-N 2.83Å; E608-S611 PolarHBondContact O-OG 2.76Å
609	F	92.9	Very high	89.1	Confident	146 Å²	146	87.1 Å²	87.1	64%	0.64	43%	0.434	S	S	*	.	H	α-helix	trans	-63.2	-40.9	175.3	178	-105.4	0	0	0	113	F605 L606 S611 I612	F605-F609 VanDerWaalsContact O-CB 3.23Å; F605-F609 WeakPolarHBondContact O-CB 3.38Å; F605-F609 PolarHBondContact O-N 3.44Å; L606-F609 PolarHBondContact O-N 2.89Å; F609-S611 VanDerWaalsContact C-N 3.25Å; F609-S611 PolarHBondContact O-N 2.75Å; F609-I612 WeakPolarHBondContact O-CB 3.26Å; F609-I612 PolarHBondContact O-N 3.33Å
610	Q	90.1	Very high	89.4	Confident	122 Å²	122	85.9 Å²	85.9	57%	0.57	42%	0.419	S	S	*	.	H	α-helix	trans	-70.4	-18	177.3	-75.5	175	-2.8	0	0	113.7	L606 A607 I612	L606-Q610 HydrophobicContact CD1-CG 4.25Å; L606-Q610 HydrophobicContact CG-CG 4.48Å; L606-Q610 VanDerWaalsContact O-CB 3.26Å; L606-Q610 WeakPolarHBondContact O-CB 3.22Å; L606-Q610 WeakPolarHBondContact O-CG 3.39Å; L606-Q610 PolarHBondContact O-N 3.29Å; A607-Q610 PolarHBondContact O-N 2.85Å; Q610-I612 VanDerWaalsContact C-N 3.28Å
611	S	90	Very high	89.7	Confident	11 Å²	11	83.7 Å²	83.7	8%	0.077	41%	0.407	C	S	.	.	H	α-helix	trans	-73.2	-21.6	172.6	82.1	0	0	0	0	113	M580 A607 E608 F609 P613	M580-S611 PolarHBondContact N-OG 3.35Å; A607-S611 PolarHBondContact O-N 3.28Å; E608-S611 WeakPolarHBondContact O-CB 3.38Å; E608-S611 PolarHBondContact O-N 2.83Å; E608-S611 PolarHBondContact O-OG 2.76Å; F609-S611 VanDerWaalsContact C-N 3.25Å; F609-S611 PolarHBondContact O-N 2.75Å; S611-P613 WeakPolarHBondContact O-CD 3.2Å
612	I	91.1	Very high	90.1	Very high	94 Å²	94	81.3 Å²	81.3	48%	0.482	39%	0.393	S	S	.	.	S	Bend	trans	-75.6	118.4	177.9	-52.1	175.9	0	0	0	108.7	F609 Q610	F609-I612 WeakPolarHBondContact O-CB 3.26Å; F609-I612 PolarHBondContact O-N 3.33Å; Q610-I612 VanDerWaalsContact C-N 3.28Å
613	P	88.9	Confident	90.3	Very high	16 Å²	16	82.6 Å²	82.6	10%	0.104	40%	0.396	C	S	.	.			trans	-68.7	138.6	177.4	29.5	-34	0	0	0	110.1	D575 S611 V615 F616	D575-P613 HydrophobicContact CB-CB 4.47Å; D575-P613 HydrophobicContact CB-CG 4.36Å; S611-P613 WeakPolarHBondContact O-CD 3.2Å; P613-V615 PolarHBondContact O-N 2.78Å; P613-F616 HydrophobicContact CG-CD1 3.74Å; P613-F616 HydrophobicContact CG-CD2 4.35Å; P613-F616 HydrophobicContact CG-CE1 3.38Å; P613-F616 HydrophobicContact CG-CE2 4.03Å; P613-F616 HydrophobicContact CG-CG 4.22Å; P613-F616 HydrophobicContact CG-CZ 3.55Å
614	R	85.3	Confident	90.5	Very high	245 Å²	245	75.7 Å²	75.7	93%	0.925	37%	0.37	S	S	*	.	S	Bend	trans	-61	-32.6	-179.1	-71.1	-173.1	176.5	-165.4	-0.9	113.3
615	V	86.6	Confident	90.7	Very high	69 Å²	69	79.3 Å²	79.3	42%	0.418	38%	0.378	S	S	.	.	S	Bend	trans	-144.6	137.6	176.8	-178.5	0	0	0	0	106.3	P613 Y641	P613-V615 PolarHBondContact O-N 2.78Å; V615-Y641 WeakPolarHBondContact CA-OH 3.34Å; V615-Y641 HydrophobicContact CG1-CE1 3.87Å
616	F	87.2	Confident	90.7	Very high	46 Å²	46	79.7 Å²	79.7	20%	0.202	38%	0.38	C	S	.	.			trans	-88.7	111.6	172.6	-73.4	-85.4	0	0	0	109.2	D575 L579 P613 K618 F619 Y641	D575-F616 HydrophobicContact CB-CD1 4.23Å; L579-F616 HydrophobicContact CD1-CE1 4.31Å; P613-F616 HydrophobicContact CG-CD1 3.74Å; P613-F616 HydrophobicContact CG-CD2 4.35Å; P613-F616 HydrophobicContact CG-CE1 3.38Å; P613-F616 HydrophobicContact CG-CE2 4.03Å; P613-F616 HydrophobicContact CG-CG 4.22Å; P613-F616 HydrophobicContact CG-CZ 3.55Å; F616-K618 HydrophobicContact CB-CG 4.15Å; F616-K618 PolarHBondContact O-N 3.01Å; F616-K618 VanDerWaalsContact O-N 3.15Å; F616-F619 HydrophobicContact CB-CD2 3.75Å; F616-F619 HydrophobicContact CB-CE2 4.21Å; F616-F619 HydrophobicContact CG-CD2 4.46Å; F616-F619 HydrophobicContact CG-CE2 4.49Å; F616-F619 PolarHBondContact O-N 3.39Å; F616-Y641 PolarHBondContact N-OH 2.9Å
617	S	83.9	Confident	90.7	Very high	84 Å²	84	80.3 Å²	80.3	59%	0.587	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.7	-173.1	-48.7	0	0	0	0	113.1	D575 F619	D575-S617 WeakPolarHBondContact OD2-CB 3.46Å; D575-S617 PolarHBondContact OD2-N 2.85Å; D575-S617 PolarHBondContact OD2-OG 2.76Å; S617-F619 PolarHBondContact O-N 3.12Å
618	K	85.1	Confident	90.8	Very high	99 Å²	99	83.1 Å²	83.1	43%	0.43	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.8	176.2	61.3	170.3	-177.8	169.7	0	115	E576 F616	E576-K618 IonicContact OE1-NZ 3.32Å; E576-K618 PolarHBondContact OE1-NZ 2.56Å; F616-K618 HydrophobicContact CB-CG 4.15Å; F616-K618 PolarHBondContact O-N 3.01Å; F616-K618 VanDerWaalsContact O-N 3.15Å
619	F	90.8	Very high	90.9	Very high	62 Å²	62	80.9 Å²	80.9	27%	0.272	38%	0.384	S	S	.	.	S	Bend	trans	-105	117	-178	-65.1	-39	0	0	0	111.2	F616 S617 Y641 Y643	F616-F619 HydrophobicContact CB-CD2 3.75Å; F616-F619 HydrophobicContact CB-CE2 4.21Å; F616-F619 HydrophobicContact CG-CD2 4.46Å; F616-F619 HydrophobicContact CG-CE2 4.49Å; F616-F619 PolarHBondContact O-N 3.39Å; S617-F619 PolarHBondContact O-N 3.12Å; F619-Y641 HydrophobicContact CB-CD1 3.34Å; F619-Y641 HydrophobicContact CB-CE1 3.61Å; F619-Y641 HydrophobicContact CB-CG 3.88Å; F619-Y641 HydrophobicContact CD2-CE1 4.39Å; F619-Y641 HydrophobicContact CD2-CE2 4.44Å; F619-Y641 HydrophobicContact CG-CD1 4.43Å; F619-Y641 WeakPolarHBondContact O-CD1 3.47Å; F619-Y643 HydrophobicContact CB-CD1 4.17Å; F619-Y643 HydrophobicContact CB-CE1 3.99Å; F619-Y643 HydrophobicContact CD1-CD1 4.05Å; F619-Y643 AromaticContact CD1-CE1 3.88Å; F619-Y643 HydrophobicContact CD1-CE1 3.88Å; F619-Y643 AromaticContact CD2-CE1 3.75Å; F619-Y643 HydrophobicContact CD2-CE1 3.75Å; F619-Y643 HydrophobicContact CE1-CE1 4.25Å; F619-Y643 HydrophobicContact CE2-CE1 4.13Å; F619-Y643 HydrophobicContact CG-CD1 4.06Å; F619-Y643 AromaticContact CG-CE1 3.62Å; F619-Y643 HydrophobicContact CG-CE1 3.62Å; F619-Y643 HydrophobicContact CZ-CE1 4.36Å
620	P	93	Very high	90.9	Very high	59 Å²	59	79 Å²	79	38%	0.383	38%	0.377	S	S	.	.			trans	-60.8	149.9	179.7	-29.1	38.7	0	0	0	114.9	K622 Y641 D642	P620-K622 HydrophobicContact CB-CD 4.39Å; P620-K622 HydrophobicContact CB-CG 4.31Å; P620-Y641 CarbonylContact O-C 3.59Å; P620-Y641 WeakPolarHBondContact O-CA 3.23Å; P620-D642 VanDerWaalsContact C-OD2 3.28Å; P620-D642 HydrophobicContact CB-CB 4.31Å; P620-D642 WeakPolarHBondContact CB-OD2 3.41Å; P620-D642 PolarHBondContact O-N 2.97Å
621	I	94.3	Very high	91	Very high	32 Å²	32	79 Å²	79	16%	0.164	38%	0.381	C	S	.	.			trans	-135.7	38.4	177.4	53.8	175.8	0	0	0	110.5	R625 L639 Y641 D642	I621-R625 WeakPolarHBondContact O-CG 3.46Å; I621-L639 HydrophobicContact CD1-CD1 4.42Å; I621-Y641 HydrophobicContact CG2-CD1 3.62Å; I621-Y641 HydrophobicContact CG2-CE1 4.19Å; I621-Y641 HydrophobicContact CG2-CG 4.44Å; I621-D642 PolarHBondContact N-OD2 2.7Å
622	K	94.8	Very high	91.2	Very high	148 Å²	148	80.1 Å²	80.1	64%	0.643	39%	0.385	S	S	*	.			trans	-72.4	-41.8	-172.1	-63	171	-178.7	173.4	0	111.7	P620 R625 K626 D642	P620-K622 HydrophobicContact CB-CD 4.39Å; P620-K622 HydrophobicContact CB-CG 4.31Å; K622-R625 PolarHBondContact O-N 2.99Å; K622-K626 PolarHBondContact O-N 2.77Å; K622-D642 VanDerWaalsContact CB-OD2 3.3Å; K622-D642 WeakPolarHBondContact CB-OD2 3.34Å; K622-D642 PolarHBondContact N-OD1 3.28Å; K622-D642 PolarHBondContact N-OD2 2.9Å
623	E	94.3	Very high	91.5	Very high	40 Å²	40	76.2 Å²	76.2	19%	0.187	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-64.2	-46.4	-179.2	-68.5	-55.6	131.6	0	0	110.9	R625 K626 N629 D642 Y659	E623-R625 PolarHBondContact O-N 3.17Å; E623-R625 VanDerWaalsContact O-N 3.1Å; E623-K626 VanDerWaalsContact CD-CE 3.47Å; E623-K626 PolarHBondContact O-N 2.6Å; E623-K626 WeakPolarHBondContact OE1-CE 3.4Å; E623-K626 IonicContact OE1-NZ 3.08Å; E623-K626 PolarHBondContact OE1-NZ 2.9Å; E623-K626 WeakPolarHBondContact OE2-CE 3.48Å; E623-K626 IonicContact OE2-NZ 2.69Å; E623-K626 PolarHBondContact OE2-NZ 3.11Å; E623-N629 PolarHBondContact O-ND2 3.17Å; E623-D642 WeakPolarHBondContact CB-OD1 3.38Å; E623-D642 PolarHBondContact N-OD1 3.29Å; E623-Y659 HydrophobicContact CB-CD2 4.39Å
624	A	94.1	Very high	91.7	Very high	1 Å²	1	77.6 Å²	77.6	1%	0.008	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-62	-19.4	179.4	0	0	0	0	0	114.5	N633 L639 P640 Y659	A624-N633 PolarHBondContact O-ND2 2.81Å; A624-N633 VanDerWaalsContact O-ND2 3.08Å; A624-L639 HydrophobicContact CB-CB 3.87Å; A624-L639 HydrophobicContact CB-CD1 4.41Å; A624-L639 HydrophobicContact CB-CD2 4.24Å; A624-L639 HydrophobicContact CB-CG 4.4Å; A624-P640 HydrophobicContact CB-CG 4.22Å; A624-Y659 VanDerWaalsContact CA-CE2 3.5Å; A624-Y659 HydrophobicContact CB-CE2 3.79Å; A624-Y659 VanDerWaalsContact CB-OH 3.3Å; A624-Y659 WeakPolarHBondContact CB-OH 3.36Å
625	R	94.1	Very high	92.1	Very high	155 Å²	155	70.4 Å²	70.4	59%	0.585	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-98.6	-10.1	-178.9	-72.6	-178.6	170.3	-163.7	-2.1	114.5	I621 K622 E623 Q630 L639	I621-R625 WeakPolarHBondContact O-CG 3.46Å; K622-R625 PolarHBondContact O-N 2.99Å; E623-R625 PolarHBondContact O-N 3.17Å; E623-R625 VanDerWaalsContact O-N 3.1Å; R625-Q630 PolarHBondContact O-NE2 2.85Å; R625-L639 HydrophobicContact CG-CD1 3.84Å
626	K	93.9	Very high	92.3	Very high	74 Å²	74	73.2 Å²	73.2	32%	0.322	36%	0.358	S	S	.	.	S	Bend	trans	-57.3	139.8	176.9	-68.8	-175.9	-179.5	167.6	0	110.4	K622 E623 F628 N629 Q630	K622-K626 PolarHBondContact O-N 2.77Å; E623-K626 VanDerWaalsContact CD-CE 3.47Å; E623-K626 PolarHBondContact O-N 2.6Å; E623-K626 WeakPolarHBondContact OE1-CE 3.4Å; E623-K626 IonicContact OE1-NZ 3.08Å; E623-K626 PolarHBondContact OE1-NZ 2.9Å; E623-K626 WeakPolarHBondContact OE2-CE 3.48Å; E623-K626 IonicContact OE2-NZ 2.69Å; E623-K626 PolarHBondContact OE2-NZ 3.11Å; K626-F628 VanDerWaalsContact C-N 3.31Å; K626-F628 HydrophobicContact CB-CD2 4.25Å; K626-F628 HydrophobicContact CB-CE1 4.39Å; K626-F628 HydrophobicContact CB-CE2 3.87Å; K626-F628 HydrophobicContact CB-CZ 3.97Å; K626-F628 HydrophobicContact CD-CE1 4.49Å; K626-F628 HydrophobicContact CD-CE2 3.81Å; K626-F628 HydrophobicContact CD-CZ 3.57Å; K626-F628 HydrophobicContact CG-CE2 4.49Å; K626-F628 HydrophobicContact CG-CZ 4.34Å; K626-F628 PolarHBondContact O-N 2.92Å; K626-N629 HydrophobicContact CB-CB 4.4Å; K626-N629 WeakPolarHBondContact O-CA 3.35Å; K626-N629 WeakPolarHBondContact O-CB 3.34Å; K626-N629 PolarHBondContact O-N 2.97Å; K626-Q630 PolarHBondContact O-N 3.2Å
627	P	92.9	Very high	92.4	Very high	98 Å²	98	76.6 Å²	76.6	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-58.9	-39.4	-168	21.7	-33.4	0	0	0	113.4	N629 Q630	P627-N629 VanDerWaalsContact C-N 3.28Å; P627-N629 PolarHBondContact O-N 3.37Å; P627-Q630 PolarHBondContact O-N 2.74Å
628	F	91.7	Very high	92.9	Very high	97 Å²	97	77.3 Å²	77.3	43%	0.425	38%	0.375	S	S	.	.	H	α-helix	trans	-68.7	-22.4	176.1	45.6	-105.4	0	0	0	114	K626 A655	K626-F628 VanDerWaalsContact C-N 3.31Å; K626-F628 HydrophobicContact CB-CD2 4.25Å; K626-F628 HydrophobicContact CB-CE1 4.39Å; K626-F628 HydrophobicContact CB-CE2 3.87Å; K626-F628 HydrophobicContact CB-CZ 3.97Å; K626-F628 HydrophobicContact CD-CE1 4.49Å; K626-F628 HydrophobicContact CD-CE2 3.81Å; K626-F628 HydrophobicContact CD-CZ 3.57Å; K626-F628 HydrophobicContact CG-CE2 4.49Å; K626-F628 HydrophobicContact CG-CZ 4.34Å; K626-F628 PolarHBondContact O-N 2.92Å; F628-A655 WeakPolarHBondContact CB-O 3.41Å; F628-A655 HydrophobicContact CD1-CB 4.4Å; F628-A655 WeakPolarHBondContact CD2-O 3.46Å; F628-A655 HydrophobicContact CE1-CB 4.41Å; F628-A655 VanDerWaalsContact CG-O 3.23Å; F628-A655 WeakPolarHBondContact CG-O 3.3Å
629	N	94.8	Very high	93.4	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-86.8	-17.3	176.5	-70.9	-16.3	0	0	0	113.2	E623 K626 P627 N631 K632 G656 Y659	E623-N629 PolarHBondContact O-ND2 3.17Å; K626-N629 HydrophobicContact CB-CB 4.4Å; K626-N629 WeakPolarHBondContact O-CA 3.35Å; K626-N629 WeakPolarHBondContact O-CB 3.34Å; K626-N629 PolarHBondContact O-N 2.97Å; P627-N629 VanDerWaalsContact C-N 3.28Å; P627-N629 PolarHBondContact O-N 3.37Å; N629-N631 VanDerWaalsContact C-N 3.31Å; N629-N631 PolarHBondContact O-N 2.89Å; N629-K632 WeakPolarHBondContact O-CB 3.28Å; N629-K632 PolarHBondContact O-N 2.74Å; N629-G656 WeakPolarHBondContact OD1-CA 3.46Å; N629-Y659 HydrophobicContact CB-CD1 3.59Å; N629-Y659 HydrophobicContact CB-CE1 3.94Å; N629-Y659 HydrophobicContact CB-CG 3.99Å; N629-Y659 VanDerWaalsContact CG-CG 3.48Å; N629-Y659 WeakPolarHBondContact ND2-CB 3.45Å; N629-Y659 WeakPolarHBondContact OD1-CB 3.49Å
630	Q	92.2	Very high	93.7	Very high	108 Å²	108	71.6 Å²	71.6	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-37.1	-173.1	-70	179.1	17	0	0	112.9	R625 K626 P627 K632 N633	R625-Q630 PolarHBondContact O-NE2 2.85Å; K626-Q630 PolarHBondContact O-N 3.2Å; P627-Q630 PolarHBondContact O-N 2.74Å; Q630-K632 VanDerWaalsContact C-N 3.27Å; Q630-K632 PolarHBondContact O-N 2.82Å; Q630-N633 WeakPolarHBondContact O-CB 3.5Å; Q630-N633 PolarHBondContact O-N 2.88Å; Q630-N633 VanDerWaalsContact O-N 3.17Å
631	N	92.2	Very high	93.9	Very high	122 Å²	122	70.7 Å²	70.7	65%	0.652	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.5	177.8	-69.3	-10	0	0	0	113.3	N629 N633 R681	N629-N631 VanDerWaalsContact C-N 3.31Å; N629-N631 PolarHBondContact O-N 2.89Å; N631-N633 PolarHBondContact O-N 2.84Å; N631-R681 VanDerWaalsContact O-CZ 3.26Å; N631-R681 PolarHBondContact O-NE 3.23Å; N631-R681 PolarHBondContact O-NH1 3.4Å
632	K	94.8	Very high	93.9	Very high	34 Å²	34	70.9 Å²	70.9	15%	0.148	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.6	175.1	-57.9	-169.7	176.2	-166.2	0	112.4	N629 Q630 G656 Y659 Q678 T684 D687	N629-K632 WeakPolarHBondContact O-CB 3.28Å; N629-K632 PolarHBondContact O-N 2.74Å; Q630-K632 VanDerWaalsContact C-N 3.27Å; Q630-K632 PolarHBondContact O-N 2.82Å; K632-G656 PolarHBondContact NZ-O 3.23Å; K632-Y659 HydrophobicContact CB-CD1 4.12Å; K632-Y659 HydrophobicContact CB-CE1 4.09Å; K632-Y659 HydrophobicContact CD-CD1 4.16Å; K632-Y659 WeakPolarHBondContact CD-O 3.3Å; K632-Q678 PolarHBondContact O-NE2 3.05Å; K632-Q678 VanDerWaalsContact O-NE2 3.16Å; K632-T684 HydrophobicContact CB-CG2 4.15Å; K632-T684 HydrophobicContact CG-CG2 4.35Å; K632-D687 VanDerWaalsContact CE-OD2 3.29Å; K632-D687 WeakPolarHBondContact CE-OD2 3.27Å; K632-D687 IonicContact NZ-OD2 2.74Å; K632-D687 PolarHBondContact NZ-OD2 2.93Å
633	N	95.9	Very high	94	Very high	11 Å²	11	70.6 Å²	70.6	6%	0.059	34%	0.338	C	S	.	.			trans	-90.9	142.9	172.7	-55.1	-44.9	0	0	0	110.9	A624 Q630 N631 L639 Y659 N661 R681	A624-N633 PolarHBondContact O-ND2 2.81Å; A624-N633 VanDerWaalsContact O-ND2 3.08Å; Q630-N633 WeakPolarHBondContact O-CB 3.5Å; Q630-N633 PolarHBondContact O-N 2.88Å; Q630-N633 VanDerWaalsContact O-N 3.17Å; N631-N633 PolarHBondContact O-N 2.84Å; N633-L639 HydrophobicContact CB-CD2 4.21Å; N633-L639 WeakPolarHBondContact ND2-CD2 3.18Å; N633-Y659 PolarHBondContact OD1-OH 2.97Å; N633-N661 PolarHBondContact OD1-ND2 3.11Å; N633-R681 WeakPolarHBondContact O-CD 3.46Å; N633-R681 PolarHBondContact O-NH1 2.93Å
634	R	94.4	Very high	94.1	Very high	46 Å²	46	70 Å²	70	17%	0.174	34%	0.336	C	S	.	.	S	Bend	trans	-94.9	-28.2	174.7	-177.9	178.3	-80.6	-84.2	8.5	111.7	Q678 G679 P680 R681 N712 K713	R634-Q678 VanDerWaalsContact CB-CD 3.44Å; R634-Q678 HydrophobicContact CB-CG 4.01Å; R634-G679 PolarHBondContact NE-O 3.23Å; R634-P680 PolarHBondContact NH2-O 3.02Å; R634-R681 HydrophobicContact CB-CG 4.06Å; R634-R681 HydrophobicContact CG-CG 4.48Å; R634-N712 VanDerWaalsContact CZ-OD1 3.28Å; R634-N712 PolarHBondContact NH1-O 3.29Å; R634-N712 PolarHBondContact NH1-OD1 2.74Å; R634-N712 PolarHBondContact NH2-OD1 3.22Å; R634-K713 VanDerWaalsContact CD-O 3.31Å; R634-K713 WeakPolarHBondContact CD-O 3.29Å; R634-K713 VanDerWaalsContact CZ-C 3.49Å; R634-K713 VanDerWaalsContact CZ-O 3.24Å; R634-K713 PolarHBondContact NE-O 2.83Å; R634-K713 VanDerWaalsContact NE-O 3.13Å
635	Y	92.9	Very high	94.3	Very high	93 Å²	93	70.9 Å²	70.9	37%	0.365	34%	0.34	S	S	.	.			trans	-131.5	138.8	175.3	-54.6	-72.2	0	0	0	109.5	I638	Y635-I638 HydrophobicContact CD2-CD1 4.04Å; Y635-I638 HydrophobicContact CG-CD1 4.28Å
636	V	91.6	Very high	94.5	Very high	128 Å²	128	63.5 Å²	63.5	78%	0.776	31%	0.312	S	S	*	.	S	Bend	trans	-81.3	-18.8	-175.4	68.4	0	0	0	0	112.9
637	D	88.6	Confident	94.6	Very high	118 Å²	118	64.9 Å²	64.9	63%	0.631	32%	0.32	S	S	*	.	S	Bend	trans	-99.8	-1	-178.7	59.1	-36.5	0	0	0	113.8
638	I	94.1	Very high	94.7	Very high	99 Å²	99	60.7 Å²	60.7	51%	0.508	29%	0.292	S	S	.	.			trans	-123	93.2	177.6	-50.8	179.4	0	0	0	109	Y635 N661	Y635-I638 HydrophobicContact CD2-CD1 4.04Å; Y635-I638 HydrophobicContact CG-CD1 4.28Å; I638-N661 PolarHBondContact O-ND2 2.84Å
639	L	96.2	Very high	94.9	Very high	32 Å²	32	59.4 Å²	59.4	17%	0.168	30%	0.295	C	S	.	.			trans	-126.7	139	-173.8	-57.7	178.4	0	0	0	110.4	I621 A624 R625 N633	I621-L639 HydrophobicContact CD1-CD1 4.42Å; A624-L639 HydrophobicContact CB-CB 3.87Å; A624-L639 HydrophobicContact CB-CD1 4.41Å; A624-L639 HydrophobicContact CB-CD2 4.24Å; A624-L639 HydrophobicContact CB-CG 4.4Å; R625-L639 HydrophobicContact CG-CD1 3.84Å; N633-L639 HydrophobicContact CB-CD2 4.21Å; N633-L639 WeakPolarHBondContact ND2-CD2 3.18Å
640	P	96.8	Very high	94.7	Very high	9 Å²	9	66.3 Å²	66.3	6%	0.058	33%	0.327	C	S	.	.			trans	-71.8	149.2	177.8	31.7	-37.1	0	0	0	111.5	A624 R645 Y659 S663	A624-P640 HydrophobicContact CB-CG 4.22Å; P640-R645 HydrophobicContact CB-CB 4.28Å; P640-Y659 WeakPolarHBondContact CD-OH 3.44Å; P640-Y659 HydrophobicContact CG-CE2 3.93Å; P640-S663 VanDerWaalsContact CB-OG 3.27Å; P640-S663 WeakPolarHBondContact CB-OG 3.15Å
641	Y	97	Very high	94.7	Very high	39 Å²	39	65.2 Å²	65.2	15%	0.153	32%	0.324	C	S	.	.			trans	-75.6	142.4	172.5	-57.8	-70.9	0	0	0	111.7	V615 F616 F619 P620 I621 Y643 N644 R645	V615-Y641 WeakPolarHBondContact CA-OH 3.34Å; V615-Y641 HydrophobicContact CG1-CE1 3.87Å; F616-Y641 PolarHBondContact N-OH 2.9Å; F619-Y641 HydrophobicContact CB-CD1 3.34Å; F619-Y641 HydrophobicContact CB-CE1 3.61Å; F619-Y641 HydrophobicContact CB-CG 3.88Å; F619-Y641 HydrophobicContact CD2-CE1 4.39Å; F619-Y641 HydrophobicContact CD2-CE2 4.44Å; F619-Y641 HydrophobicContact CG-CD1 4.43Å; F619-Y641 WeakPolarHBondContact O-CD1 3.47Å; P620-Y641 CarbonylContact O-C 3.59Å; P620-Y641 WeakPolarHBondContact O-CA 3.23Å; I621-Y641 HydrophobicContact CG2-CD1 3.62Å; I621-Y641 HydrophobicContact CG2-CE1 4.19Å; I621-Y641 HydrophobicContact CG2-CG 4.44Å; Y641-Y643 VanDerWaalsContact CB-CE1 3.5Å; Y641-Y643 AromaticContact CD2-CE1 3.88Å; Y641-Y643 HydrophobicContact CD2-CE1 3.88Å; Y641-Y643 HydrophobicContact CG-CD1 4.27Å; Y641-Y643 AromaticContact CG-CE1 3.81Å; Y641-Y643 HydrophobicContact CG-CE1 3.81Å; Y641-Y643 PolarHBondContact O-N 2.81Å; Y641-Y643 VanDerWaalsContact O-N 3.11Å; Y641-N644 PolarHBondContact O-N 2.8Å; Y641-R645 PolarHBondContact O-N 3.06Å
642	D	95.8	Very high	94.5	Very high	36 Å²	36	67.5 Å²	67.5	19%	0.193	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.5	-178	-61.6	-29	0	0	0	112.4	P620 I621 K622 E623	P620-D642 VanDerWaalsContact C-OD2 3.28Å; P620-D642 HydrophobicContact CB-CB 4.31Å; P620-D642 WeakPolarHBondContact CB-OD2 3.41Å; P620-D642 PolarHBondContact O-N 2.97Å; I621-D642 PolarHBondContact N-OD2 2.7Å; K622-D642 VanDerWaalsContact CB-OD2 3.3Å; K622-D642 WeakPolarHBondContact CB-OD2 3.34Å; K622-D642 PolarHBondContact N-OD1 3.28Å; K622-D642 PolarHBondContact N-OD2 2.9Å; E623-D642 WeakPolarHBondContact CB-OD1 3.38Å; E623-D642 PolarHBondContact N-OD1 3.29Å
643	Y	96.2	Very high	94	Very high	142 Å²	142	70.2 Å²	70.2	56%	0.557	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-21.1	-174.6	81.7	-91.7	0	0	0	114.9	F619 Y641	F619-Y643 HydrophobicContact CB-CD1 4.17Å; F619-Y643 HydrophobicContact CB-CE1 3.99Å; F619-Y643 HydrophobicContact CD1-CD1 4.05Å; F619-Y643 AromaticContact CD1-CE1 3.88Å; F619-Y643 HydrophobicContact CD1-CE1 3.88Å; F619-Y643 AromaticContact CD2-CE1 3.75Å; F619-Y643 HydrophobicContact CD2-CE1 3.75Å; F619-Y643 HydrophobicContact CE1-CE1 4.25Å; F619-Y643 HydrophobicContact CE2-CE1 4.13Å; F619-Y643 HydrophobicContact CG-CD1 4.06Å; F619-Y643 AromaticContact CG-CE1 3.62Å; F619-Y643 HydrophobicContact CG-CE1 3.62Å; F619-Y643 HydrophobicContact CZ-CE1 4.36Å; Y641-Y643 VanDerWaalsContact CB-CE1 3.5Å; Y641-Y643 AromaticContact CD2-CE1 3.88Å; Y641-Y643 HydrophobicContact CD2-CE1 3.88Å; Y641-Y643 HydrophobicContact CG-CD1 4.27Å; Y641-Y643 AromaticContact CG-CE1 3.81Å; Y641-Y643 HydrophobicContact CG-CE1 3.81Å; Y641-Y643 PolarHBondContact O-N 2.81Å; Y641-Y643 VanDerWaalsContact O-N 3.11Å
644	N	96.9	Very high	93.6	Very high	27 Å²	27	73.4 Å²	73.4	14%	0.144	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	13.6	-179.5	76.8	-29.9	0	0	0	113.9	Y641 S663 Y664	Y641-N644 PolarHBondContact O-N 2.8Å; N644-S663 CarbonylContact O-C 3.48Å; N644-S663 VanDerWaalsContact O-CA 3.23Å; N644-S663 WeakPolarHBondContact O-CA 3.23Å; N644-S663 PolarHBondContact OD1-OG 3.26Å; N644-Y664 PolarHBondContact ND2-O 3.06Å; N644-Y664 PolarHBondContact O-N 3.44Å
645	R	97.2	Very high	93.2	Very high	21 Å²	21	74.3 Å²	74.3	8%	0.079	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	151.8	168.4	70.9	176.8	-168.1	131	-5.3	110.7	P640 Y641 E647 N658 A662 Y664	P640-R645 HydrophobicContact CB-CB 4.28Å; Y641-R645 PolarHBondContact O-N 3.06Å; R645-E647 HydrophobicContact CG-CG 3.95Å; R645-E647 IonicContact CZ-OE1 3.64Å; R645-E647 IonicContact NE-OE1 2.71Å; R645-E647 PolarHBondContact NE-OE1 3.47Å; R645-E647 VanDerWaalsContact NH2-CD 3.27Å; R645-E647 IonicContact NH2-OE1 3.56Å; R645-E647 PolarHBondContact NH2-OE1 2.88Å; R645-N658 PolarHBondContact NH1-O 3.5Å; R645-N658 PolarHBondContact NH1-OD1 3.17Å; R645-N658 PolarHBondContact NH2-OD1 3.37Å; R645-A662 CarbonylContact C-O 3.59Å; R645-A662 VanDerWaalsContact CA-O 3.31Å; R645-A662 WeakPolarHBondContact CA-O 3.28Å; R645-Y664 WeakPolarHBondContact O-CE2 3.42Å
646	V	97.6	Very high	92.9	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	131.7	162.3	-173.2	0	0	0	0	107.8	I660 A662 Y664 I675 M691 Q695	V646-I660 HydrophobicContact CB-CG2 4.15Å; V646-I660 HydrophobicContact CG1-CG2 4.48Å; V646-A662 HydrophobicContact CB-CB 4.2Å; V646-A662 HydrophobicContact CG2-CB 3.91Å; V646-A662 PolarHBondContact N-O 3.25Å; V646-Y664 HydrophobicContact CB-CE2 4.31Å; V646-Y664 HydrophobicContact CG1-CE2 4.47Å; V646-Y664 HydrophobicContact CG2-CD1 4.36Å; V646-Y664 HydrophobicContact CG2-CD2 4.15Å; V646-Y664 HydrophobicContact CG2-CE1 4.21Å; V646-Y664 HydrophobicContact CG2-CE2 3.99Å; V646-Y664 HydrophobicContact CG2-CG 4.34Å; V646-I675 HydrophobicContact CG2-CD1 4.2Å; V646-I675 HydrophobicContact CG2-CG1 4.22Å; V646-I675 HydrophobicContact CG2-CG2 3.74Å; V646-M691 HydrophobicContact CB-SD 4.21Å; V646-M691 HydrophobicContact CG1-CG 3.76Å; V646-M691 HydrophobicContact CG1-SD 4.03Å; V646-M691 HydrophobicContact CG2-SD 4.28Å; V646-Q695 HydrophobicContact CG1-CG 4.05Å
647	E	96.4	Very high	93	Very high	103 Å²	103	64.3 Å²	64.3	48%	0.481	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.5	176	-51.5	-164.2	145.4	0	0	108.4	R645 N658	R645-E647 HydrophobicContact CG-CG 3.95Å; R645-E647 IonicContact CZ-OE1 3.64Å; R645-E647 IonicContact NE-OE1 2.71Å; R645-E647 PolarHBondContact NE-OE1 3.47Å; R645-E647 VanDerWaalsContact NH2-CD 3.27Å; R645-E647 IonicContact NH2-OE1 3.56Å; R645-E647 PolarHBondContact NH2-OE1 2.88Å; E647-N658 WeakPolarHBondContact CA-O 3.36Å
648	L	96.5	Very high	93.2	Very high	9 Å²	9	59.9 Å²	59.9	5%	0.047	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-99.5	160.8	174.7	-54.5	-177.8	0	0	0	110.7	E650 N658 I660 D687 M691 E694	L648-E650 PolarHBondContact O-N 3.39Å; L648-N658 PolarHBondContact N-O 2.88Å; L648-N658 WeakPolarHBondContact O-CA 3.26Å; L648-N658 VanDerWaalsContact O-CB 3.31Å; L648-N658 WeakPolarHBondContact O-CB 3.33Å; L648-I660 HydrophobicContact CD1-CB 4.04Å; L648-I660 HydrophobicContact CD1-CG2 4.2Å; L648-I660 HydrophobicContact CD2-CG2 4.12Å; L648-I660 HydrophobicContact CG-CB 4.36Å; L648-I660 HydrophobicContact CG-CG2 3.99Å; L648-D687 HydrophobicContact CD1-CB 4.09Å; L648-M691 HydrophobicContact CD2-CB 3.67Å; L648-M691 HydrophobicContact CD2-CG 3.97Å; L648-E694 VanDerWaalsContact CA-OE2 3.27Å; L648-E694 WeakPolarHBondContact CA-OE2 3.3Å; L648-E694 WeakPolarHBondContact CD2-OE2 3.36Å
649	S	94.1	Very high	93.4	Very high	71 Å²	71	55.2 Å²	55.2	50%	0.497	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-57.9	136.3	173.3	-53.4	0	0	0	0	111.4	E694	S649-E694 WeakPolarHBondContact CB-OE1 3.09Å; S649-E694 PolarHBondContact N-OE1 2.79Å; S649-E694 VanDerWaalsContact N-OE1 3.08Å; S649-E694 PolarHBondContact N-OE2 3.11Å; S649-E694 PolarHBondContact OG-OE1 2.72Å
650	E	92.3	Very high	93.5	Very high	144 Å²	144	54.2 Å²	54.2	67%	0.673	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-71.2	129.1	177	-76.3	-172.6	162.2	0	0	111.7	L648 N658	L648-E650 PolarHBondContact O-N 3.39Å; E650-N658 HydrophobicContact CG-CB 3.76Å; E650-N658 PolarHBondContact OE1-ND2 2.84Å
651	I	91.3	Very high	93.5	Very high	85 Å²	85	54.3 Å²	54.3	44%	0.436	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-98.6	118.4	177	-59.1	174.7	0	0	0	107.8	G653 D654 S657	I651-G653 PolarHBondContact O-N 3.3Å; I651-D654 HydrophobicContact CB-CB 4.39Å; I651-D654 PolarHBondContact O-N 2.74Å; I651-S657 PolarHBondContact N-OG 2.71Å
652	N	88.3	Confident	93.6	Very high	171 Å²	171	52.5 Å²	52.5	91%	0.914	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	111	-177.8	-77.2	-54.4	0	0	0	111.6
653	G	83.6	Confident	93.7	Very high	90 Å²	90	51.4 Å²	51.4	93%	0.928	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.1	-14.9	179.5	0	0	0	0	0	115.2	I651	I651-G653 PolarHBondContact O-N 3.3Å
654	D	86.9	Confident	93.8	Very high	79 Å²	79	46.4 Å²	46.4	42%	0.422	27%	0.274	S	S	.	.			trans	-100.2	106.8	176.1	179.1	39.5	0	0	0	112.1	I651 G656 S657	I651-D654 HydrophobicContact CB-CB 4.39Å; I651-D654 PolarHBondContact O-N 2.74Å; D654-G656 PolarHBondContact O-N 3.29Å; D654-S657 WeakPolarHBondContact O-CB 3.39Å; D654-S657 PolarHBondContact O-N 2.87Å; D654-S657 PolarHBondContact O-OG 3.37Å; D654-S657 VanDerWaalsContact OD2-CA 3.29Å; D654-S657 WeakPolarHBondContact OD2-CA 3.22Å; D654-S657 VanDerWaalsContact OD2-CB 3.27Å; D654-S657 WeakPolarHBondContact OD2-CB 3.35Å; D654-S657 PolarHBondContact OD2-N 2.67Å
655	A	87.2	Confident	93.8	Very high	64 Å²	64	48.7 Å²	48.7	53%	0.529	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	102.2	179.4	0	0	0	0	0	110.7	F628	F628-A655 WeakPolarHBondContact CB-O 3.41Å; F628-A655 HydrophobicContact CD1-CB 4.4Å; F628-A655 WeakPolarHBondContact CD2-O 3.46Å; F628-A655 HydrophobicContact CE1-CB 4.41Å; F628-A655 VanDerWaalsContact CG-O 3.23Å; F628-A655 WeakPolarHBondContact CG-O 3.3Å
656	G	86.6	Confident	93.8	Very high	8 Å²	8	52.9 Å²	52.9	8%	0.082	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	113.1	3.5	-172.7	0	0	0	0	0	114.2	N629 K632 D654 N658 Y659	N629-G656 WeakPolarHBondContact OD1-CA 3.46Å; K632-G656 PolarHBondContact NZ-O 3.23Å; D654-G656 PolarHBondContact O-N 3.29Å; G656-N658 PolarHBondContact O-N 2.69Å; G656-Y659 PolarHBondContact O-N 2.96Å; G656-Y659 VanDerWaalsContact O-N 3.08Å
657	S	93.1	Very high	93.6	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.028	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.3	173.3	44.9	0	0	0	0	114.1	I651 D654 Y659 R690	I651-S657 PolarHBondContact N-OG 2.71Å; D654-S657 WeakPolarHBondContact O-CB 3.39Å; D654-S657 PolarHBondContact O-N 2.87Å; D654-S657 PolarHBondContact O-OG 3.37Å; D654-S657 VanDerWaalsContact OD2-CA 3.29Å; D654-S657 WeakPolarHBondContact OD2-CA 3.22Å; D654-S657 VanDerWaalsContact OD2-CB 3.27Å; D654-S657 WeakPolarHBondContact OD2-CB 3.35Å; D654-S657 PolarHBondContact OD2-N 2.67Å; S657-Y659 VanDerWaalsContact C-N 3.3Å; S657-Y659 PolarHBondContact O-N 2.78Å; S657-R690 PolarHBondContact O-NH2 3.06Å
658	N	93.8	Very high	93.4	Very high	25 Å²	25	58 Å²	58	13%	0.134	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.9	177.6	74.8	45.9	0	0	0	115.3	R645 E647 L648 E650 G656	R645-N658 PolarHBondContact NH1-O 3.5Å; R645-N658 PolarHBondContact NH1-OD1 3.17Å; R645-N658 PolarHBondContact NH2-OD1 3.37Å; E647-N658 WeakPolarHBondContact CA-O 3.36Å; L648-N658 PolarHBondContact N-O 2.88Å; L648-N658 WeakPolarHBondContact O-CA 3.26Å; L648-N658 VanDerWaalsContact O-CB 3.31Å; L648-N658 WeakPolarHBondContact O-CB 3.33Å; E650-N658 HydrophobicContact CG-CB 3.76Å; E650-N658 PolarHBondContact OE1-ND2 2.84Å; G656-N658 PolarHBondContact O-N 2.69Å
659	Y	97.3	Very high	93.2	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128	-173.8	178.2	-95.4	0	0	0	113.1	E623 A624 N629 K632 N633 P640 G656 S657	E623-Y659 HydrophobicContact CB-CD2 4.39Å; A624-Y659 VanDerWaalsContact CA-CE2 3.5Å; A624-Y659 HydrophobicContact CB-CE2 3.79Å; A624-Y659 VanDerWaalsContact CB-OH 3.3Å; A624-Y659 WeakPolarHBondContact CB-OH 3.36Å; N629-Y659 HydrophobicContact CB-CD1 3.59Å; N629-Y659 HydrophobicContact CB-CE1 3.94Å; N629-Y659 HydrophobicContact CB-CG 3.99Å; N629-Y659 VanDerWaalsContact CG-CG 3.48Å; N629-Y659 WeakPolarHBondContact ND2-CB 3.45Å; N629-Y659 WeakPolarHBondContact OD1-CB 3.49Å; K632-Y659 HydrophobicContact CB-CD1 4.12Å; K632-Y659 HydrophobicContact CB-CE1 4.09Å; K632-Y659 HydrophobicContact CD-CD1 4.16Å; K632-Y659 WeakPolarHBondContact CD-O 3.3Å; N633-Y659 PolarHBondContact OD1-OH 2.97Å; P640-Y659 WeakPolarHBondContact CD-OH 3.44Å; P640-Y659 HydrophobicContact CG-CE2 3.93Å; G656-Y659 PolarHBondContact O-N 2.96Å; G656-Y659 VanDerWaalsContact O-N 3.08Å; S657-Y659 VanDerWaalsContact C-N 3.3Å; S657-Y659 PolarHBondContact O-N 2.78Å
660	I	97.8	Very high	93.2	Very high	11 Å²	11	67.9 Å²	67.9	6%	0.056	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.1	164	-173	165.9	0	0	0	109.4	V646 L648 A662 D687 F688 M691	V646-I660 HydrophobicContact CB-CG2 4.15Å; V646-I660 HydrophobicContact CG1-CG2 4.48Å; L648-I660 HydrophobicContact CD1-CB 4.04Å; L648-I660 HydrophobicContact CD1-CG2 4.2Å; L648-I660 HydrophobicContact CD2-CG2 4.12Å; L648-I660 HydrophobicContact CG-CB 4.36Å; L648-I660 HydrophobicContact CG-CG2 3.99Å; I660-A662 VanDerWaalsContact C-N 3.26Å; I660-A662 HydrophobicContact CG2-CB 4.29Å; I660-A662 PolarHBondContact O-N 3.43Å; I660-D687 HydrophobicContact CD1-CB 4.37Å; I660-F688 HydrophobicContact CD1-CB 4.41Å; I660-M691 HydrophobicContact CD1-CB 4.03Å; I660-M691 HydrophobicContact CD1-CG 4.47Å; I660-M691 HydrophobicContact CD1-SD 3.96Å; I660-M691 HydrophobicContact CG2-SD 4.14Å
661	N	97.9	Very high	93.3	Very high	11 Å²	11	65.7 Å²	65.7	6%	0.059	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	78.8	174	-168.1	-45.1	0	0	0	110.2	N633 I638 Q678	N633-N661 PolarHBondContact OD1-ND2 3.11Å; I638-N661 PolarHBondContact O-ND2 2.84Å; N661-Q678 HydrophobicContact CB-CB 3.99Å; N661-Q678 PolarHBondContact ND2-OE1 3.06Å; N661-Q678 WeakPolarHBondContact O-CB 3.5Å; N661-Q678 PolarHBondContact O-N 2.83Å
662	A	98	Very high	93.4	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.008	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	151.8	174	0	0	0	0	0	111	R645 V646 I660 I675 A676 A677 M691	R645-A662 CarbonylContact C-O 3.59Å; R645-A662 VanDerWaalsContact CA-O 3.31Å; R645-A662 WeakPolarHBondContact CA-O 3.28Å; V646-A662 HydrophobicContact CB-CB 4.2Å; V646-A662 HydrophobicContact CG2-CB 3.91Å; V646-A662 PolarHBondContact N-O 3.25Å; I660-A662 VanDerWaalsContact C-N 3.26Å; I660-A662 HydrophobicContact CG2-CB 4.29Å; I660-A662 PolarHBondContact O-N 3.43Å; A662-I675 HydrophobicContact CB-CG2 3.85Å; A662-A676 CarbonylContact C-O 3.52Å; A662-A676 VanDerWaalsContact CA-O 3.3Å; A662-A676 WeakPolarHBondContact CA-O 3.39Å; A662-A677 HydrophobicContact CB-CB 3.78Å; A662-M691 HydrophobicContact CB-SD 3.73Å
663	S	98.3	Very high	93.8	Very high	14 Å²	14	65.5 Å²	65.5	10%	0.098	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.2	175.6	-75.2	0	0	0	0	112	P640 N644 I675 A676	P640-S663 VanDerWaalsContact CB-OG 3.27Å; P640-S663 WeakPolarHBondContact CB-OG 3.15Å; N644-S663 CarbonylContact O-C 3.48Å; N644-S663 VanDerWaalsContact O-CA 3.23Å; N644-S663 WeakPolarHBondContact O-CA 3.23Å; N644-S663 PolarHBondContact OD1-OG 3.26Å; S663-I675 CarbonylContact O-C 3.5Å; S663-I675 WeakPolarHBondContact O-CA 3.38Å; S663-A676 PolarHBondContact N-O 3.41Å; S663-A676 PolarHBondContact O-N 3.36Å
664	Y	98.1	Very high	94.5	Very high	37 Å²	37	67.5 Å²	67.5	15%	0.145	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	135	166.7	-59.5	-80.9	0	0	0	110.7	N644 R645 V646 R672 I675 Q695	N644-Y664 PolarHBondContact ND2-O 3.06Å; N644-Y664 PolarHBondContact O-N 3.44Å; R645-Y664 WeakPolarHBondContact O-CE2 3.42Å; V646-Y664 HydrophobicContact CB-CE2 4.31Å; V646-Y664 HydrophobicContact CG1-CE2 4.47Å; V646-Y664 HydrophobicContact CG2-CD1 4.36Å; V646-Y664 HydrophobicContact CG2-CD2 4.15Å; V646-Y664 HydrophobicContact CG2-CE1 4.21Å; V646-Y664 HydrophobicContact CG2-CE2 3.99Å; V646-Y664 HydrophobicContact CG2-CG 4.34Å; Y664-R672 HydrophobicContact CD1-CB 3.9Å; Y664-R672 HydrophobicContact CD1-CG 4.28Å; Y664-R672 HydrophobicContact CG-CB 4.14Å; Y664-R672 HydrophobicContact CG-CG 4.06Å; Y664-I675 HydrophobicContact CD1-CD1 4.45Å; Y664-I675 HydrophobicContact CD1-CG1 3.98Å; Y664-I675 HydrophobicContact CE1-CD1 4.21Å; Y664-I675 HydrophobicContact CE1-CG1 4.25Å; Y664-Q695 VanDerWaalsContact OH-CD 3.29Å; Y664-Q695 PolarHBondContact OH-NE2 3.15Å; Y664-Q695 PolarHBondContact OH-OE1 3.3Å
665	I	97.8	Very high	95	Very high	75 Å²	75	66.4 Å²	66.4	39%	0.385	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.2	178.7	-57.4	-62.1	0	0	0	109.1	R672 K673 Y674 A676	I665-R672 CarbonylContact O-C 3.56Å; I665-K673 PolarHBondContact O-N 2.89Å; I665-K673 VanDerWaalsContact O-N 3.11Å; I665-Y674 PolarHBondContact N-O 3.16Å; I665-Y674 PolarHBondContact O-N 2.96Å; I665-A676 HydrophobicContact CD1-CB 4.25Å; I665-A676 HydrophobicContact CG1-CB 3.61Å
666	D	96.9	Very high	95.5	Very high	108 Å²	108	66 Å²	66	58%	0.578	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	139.7	177.2	-61	-30.1	0	0	0	111.2	P671 R672	D666-P671 WeakPolarHBondContact OD1-CA 3.49Å; D666-R672 PolarHBondContact OD1-N 3.5Å
667	G	93.5	Very high	96	Very high	13 Å²	13	67.7 Å²	67.7	13%	0.134	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	165.7	167.7	0	0	0	0	0	111.3	K669 E670	G667-K669 PolarHBondContact O-N 3.1Å; G667-E670 PolarHBondContact N-O 3.37Å; G667-E670 PolarHBondContact O-N 3.2Å; G667-E670 VanDerWaalsContact O-N 3.09Å
668	F	92.4	Very high	96.2	Very high	199 Å²	199	68.9 Å²	68.9	87%	0.873	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-18.5	-174.8	-178.8	-114.4	0	0	0	116.5
669	K	92.6	Very high	96.3	Very high	189 Å²	189	68.8 Å²	68.8	82%	0.822	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.2	4.4	176.5	-63.2	-172.2	177	-176.2	0	114.5	G667	G667-K669 PolarHBondContact O-N 3.1Å
670	E	94.2	Very high	96.3	Very high	97 Å²	97	69 Å²	69	45%	0.453	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	114.6	-160.9	-176.9	178.7	172.1	0	0	110.2	G667 K673	G667-E670 PolarHBondContact N-O 3.37Å; G667-E670 PolarHBondContact O-N 3.2Å; G667-E670 VanDerWaalsContact O-N 3.09Å; E670-K673 HydrophobicContact CB-CB 4.15Å; E670-K673 HydrophobicContact CB-CD 4.17Å; E670-K673 HydrophobicContact CB-CG 4.48Å; E670-K673 HydrophobicContact CG-CB 4.1Å; E670-K673 HydrophobicContact CG-CG 4.39Å; E670-K673 WeakPolarHBondContact O-CB 3.43Å; E670-K673 IonicContact OE1-NZ 2.7Å; E670-K673 WeakPolarHBondContact OE2-CD 3.13Å; E670-K673 WeakPolarHBondContact OE2-CE 3.45Å; E670-K673 IonicContact OE2-NZ 3.08Å; E670-K673 PolarHBondContact OE2-NZ 2.85Å
671	P	94.3	Very high	96.2	Very high	98 Å²	98	71.2 Å²	71.2	64%	0.636	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	142.3	-177.9	29.6	-34.4	0	0	0	110.9	D666 K673	D666-P671 WeakPolarHBondContact OD1-CA 3.49Å; P671-K673 PolarHBondContact O-N 3.43Å
672	R	93.1	Very high	96.1	Very high	161 Å²	161	75.6 Å²	75.6	61%	0.608	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.7	28.1	-178.2	-52.1	-174.4	-67.8	167.8	-0.9	114.4	Y664 I665 D666 Y674	Y664-R672 HydrophobicContact CD1-CB 3.9Å; Y664-R672 HydrophobicContact CD1-CG 4.28Å; Y664-R672 HydrophobicContact CG-CB 4.14Å; Y664-R672 HydrophobicContact CG-CG 4.06Å; I665-R672 CarbonylContact O-C 3.56Å; D666-R672 PolarHBondContact OD1-N 3.5Å; R672-Y674 PolarHBondContact O-N 2.94Å
673	K	96.1	Very high	95.9	Very high	91 Å²	91	81.6 Å²	81.6	40%	0.396	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	-30.9	-179.1	-175.6	170.9	-172	61.4	0	113.8	I665 E670 P671	I665-K673 PolarHBondContact O-N 2.89Å; I665-K673 VanDerWaalsContact O-N 3.11Å; E670-K673 HydrophobicContact CB-CB 4.15Å; E670-K673 HydrophobicContact CB-CD 4.17Å; E670-K673 HydrophobicContact CB-CG 4.48Å; E670-K673 HydrophobicContact CG-CB 4.1Å; E670-K673 HydrophobicContact CG-CG 4.39Å; E670-K673 WeakPolarHBondContact O-CB 3.43Å; E670-K673 IonicContact OE1-NZ 2.7Å; E670-K673 WeakPolarHBondContact OE2-CD 3.13Å; E670-K673 WeakPolarHBondContact OE2-CE 3.45Å; E670-K673 IonicContact OE2-NZ 3.08Å; E670-K673 PolarHBondContact OE2-NZ 2.85Å; P671-K673 PolarHBondContact O-N 3.43Å
674	Y	97.8	Very high	95.8	Very high	133 Å²	133	81.3 Å²	81.3	52%	0.522	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	155.9	-178	-48.3	-75.6	0	0	0	110.6	I665 R672	I665-Y674 PolarHBondContact N-O 3.16Å; I665-Y674 PolarHBondContact O-N 2.96Å; R672-Y674 PolarHBondContact O-N 2.94Å
675	I	98.3	Very high	95.8	Very high	56 Å²	56	80.5 Å²	80.5	29%	0.287	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.6	165	-65	173.3	0	0	0	107.2	V646 A662 S663 Y664 A677 M691 Q695	V646-I675 HydrophobicContact CG2-CD1 4.2Å; V646-I675 HydrophobicContact CG2-CG1 4.22Å; V646-I675 HydrophobicContact CG2-CG2 3.74Å; A662-I675 HydrophobicContact CB-CG2 3.85Å; S663-I675 CarbonylContact O-C 3.5Å; S663-I675 WeakPolarHBondContact O-CA 3.38Å; Y664-I675 HydrophobicContact CD1-CD1 4.45Å; Y664-I675 HydrophobicContact CD1-CG1 3.98Å; Y664-I675 HydrophobicContact CE1-CD1 4.21Å; Y664-I675 HydrophobicContact CE1-CG1 4.25Å; I675-A677 HydrophobicContact CG2-CB 4.29Å; I675-A677 PolarHBondContact O-N 3.03Å; I675-M691 HydrophobicContact CG2-CE 4.18Å; I675-M691 HydrophobicContact CG2-SD 4.03Å; I675-Q695 HydrophobicContact CD1-CB 4.03Å; I675-Q695 HydrophobicContact CD1-CG 4Å
676	A	98	Very high	95.7	Very high	56 Å²	56	80.4 Å²	80.4	46%	0.463	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	97.8	167.8	0	0	0	0	0	108.1	A662 S663 I665	A662-A676 CarbonylContact C-O 3.52Å; A662-A676 VanDerWaalsContact CA-O 3.3Å; A662-A676 WeakPolarHBondContact CA-O 3.39Å; S663-A676 PolarHBondContact N-O 3.41Å; S663-A676 PolarHBondContact O-N 3.36Å; I665-A676 HydrophobicContact CD1-CB 4.25Å; I665-A676 HydrophobicContact CG1-CB 3.61Å
677	A	97.6	Very high	95.7	Very high	42 Å²	42	76.2 Å²	76.2	35%	0.347	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143.7	176.9	0	0	0	0	0	111.5	A662 I675 F688 M691	A662-A677 HydrophobicContact CB-CB 3.78Å; I675-A677 HydrophobicContact CG2-CB 4.29Å; I675-A677 PolarHBondContact O-N 3.03Å; A677-F688 HydrophobicContact CB-CE2 4.37Å; A677-M691 HydrophobicContact CB-CE 4.13Å
678	Q	96.8	Very high	95.9	Very high	29 Å²	29	76.2 Å²	76.2	14%	0.136	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-63.1	140	163.9	-179.4	-168.4	-103	0	0	109.9	K632 R634 N661 P680	K632-Q678 PolarHBondContact O-NE2 3.05Å; K632-Q678 VanDerWaalsContact O-NE2 3.16Å; R634-Q678 VanDerWaalsContact CB-CD 3.44Å; R634-Q678 HydrophobicContact CB-CG 4.01Å; N661-Q678 HydrophobicContact CB-CB 3.99Å; N661-Q678 PolarHBondContact ND2-OE1 3.06Å; N661-Q678 WeakPolarHBondContact O-CB 3.5Å; N661-Q678 PolarHBondContact O-N 2.83Å; Q678-P680 WeakPolarHBondContact O-CD 3.27Å; Q678-P680 VanDerWaalsContact O-N 3.15Å
679	G	96.5	Very high	96.2	Very high	24 Å²	24	67 Å²	67	25%	0.247	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-56.9	118.2	171.3	0	0	0	0	0	110.5	R634	R634-G679 PolarHBondContact NE-O 3.23Å
680	P	96.9	Very high	96.4	Very high	3 Å²	3	60 Å²	60	2%	0.019	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-56.6	148.8	-169.7	20	-33.6	0	0	0	112.1	R634 Q678 V685 F688 C714 A715 Y717	R634-P680 PolarHBondContact NH2-O 3.02Å; Q678-P680 WeakPolarHBondContact O-CD 3.27Å; Q678-P680 VanDerWaalsContact O-N 3.15Å; P680-V685 HydrophobicContact CB-CG1 4.39Å; P680-F688 HydrophobicContact CB-CB 4.04Å; P680-F688 HydrophobicContact CB-CD2 4.36Å; P680-F688 HydrophobicContact CB-CG 4.21Å; P680-F688 HydrophobicContact CG-CB 4.35Å; P680-F688 HydrophobicContact CG-CD1 4.34Å; P680-F688 HydrophobicContact CG-CD2 4.08Å; P680-F688 HydrophobicContact CG-CE2 4.47Å; P680-F688 HydrophobicContact CG-CG 4Å; P680-C714 VanDerWaalsContact CD-SG 3.59Å; P680-A715 PolarHBondContact O-N 3.48Å; P680-Y717 HydrophobicContact CG-CD1 3.55Å; P680-Y717 HydrophobicContact CG-CE1 4.22Å; P680-Y717 HydrophobicContact CG-CG 4.09Å
681	R	95.2	Very high	96.5	Very high	58 Å²	58	55.5 Å²	55.5	22%	0.219	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-87.6	165.1	166.8	-55.4	170.9	51.7	146.6	-1.5	109.2	N631 N633 R634 E683 T684 V685	N631-R681 VanDerWaalsContact O-CZ 3.26Å; N631-R681 PolarHBondContact O-NE 3.23Å; N631-R681 PolarHBondContact O-NH1 3.4Å; N633-R681 WeakPolarHBondContact O-CD 3.46Å; N633-R681 PolarHBondContact O-NH1 2.93Å; R634-R681 HydrophobicContact CB-CG 4.06Å; R634-R681 HydrophobicContact CG-CG 4.48Å; R681-E683 WeakPolarHBondContact CB-OE2 3.31Å; R681-E683 IonicContact CZ-OE1 2.68Å; R681-E683 IonicContact CZ-OE2 2.82Å; R681-E683 IonicContact NE-OE1 3.1Å; R681-E683 IonicContact NE-OE2 3.18Å; R681-E683 PolarHBondContact NE-OE2 2.98Å; R681-E683 VanDerWaalsContact NH2-CD 3.28Å; R681-E683 IonicContact NH2-OE1 3.92Å; R681-E683 PolarHBondContact NH2-OE1 2.99Å; R681-E683 IonicContact NH2-OE2 2.71Å; R681-E683 PolarHBondContact NH2-OE2 3.29Å; R681-E683 PolarHBondContact O-N 3.46Å; R681-T684 HydrophobicContact CB-CG2 4.25Å; R681-T684 PolarHBondContact N-OG1 3.15Å; R681-T684 CarbonylContact O-C 3.47Å; R681-T684 PolarHBondContact O-N 2.86Å; R681-T684 PolarHBondContact O-OG1 3.04Å; R681-V685 WeakPolarHBondContact O-CG1 3.43Å; R681-V685 PolarHBondContact O-N 3.39Å
682	D	94.8	Very high	96.7	Very high	103 Å²	103	51.4 Å²	51.4	55%	0.551	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-61	-28.7	176.2	-50.1	-88.2	0	0	0	111.2	T684 A715	D682-T684 VanDerWaalsContact C-N 3.33Å; D682-T684 PolarHBondContact O-N 3.21Å; D682-A715 HydrophobicContact CB-CB 4.49Å; D682-A715 WeakPolarHBondContact OD1-CB 3.23Å
683	E	94.3	Very high	96.9	Very high	128 Å²	128	48.5 Å²	48.5	60%	0.598	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-83.9	2.4	172.6	-40.6	93.8	146.9	0	0	114.4	R681	R681-E683 WeakPolarHBondContact CB-OE2 3.31Å; R681-E683 IonicContact CZ-OE1 2.68Å; R681-E683 IonicContact CZ-OE2 2.82Å; R681-E683 IonicContact NE-OE1 3.1Å; R681-E683 IonicContact NE-OE2 3.18Å; R681-E683 PolarHBondContact NE-OE2 2.98Å; R681-E683 VanDerWaalsContact NH2-CD 3.28Å; R681-E683 IonicContact NH2-OE1 3.92Å; R681-E683 PolarHBondContact NH2-OE1 2.99Å; R681-E683 IonicContact NH2-OE2 2.71Å; R681-E683 PolarHBondContact NH2-OE2 3.29Å; R681-E683 PolarHBondContact O-N 3.46Å
684	T	96.4	Very high	96.9	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.049	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-134.8	15.1	-176.6	79.8	0	0	0	0	114.1	K632 R681 D682 D686 F688	K632-T684 HydrophobicContact CB-CG2 4.15Å; K632-T684 HydrophobicContact CG-CG2 4.35Å; R681-T684 HydrophobicContact CB-CG2 4.25Å; R681-T684 PolarHBondContact N-OG1 3.15Å; R681-T684 CarbonylContact O-C 3.47Å; R681-T684 PolarHBondContact O-N 2.86Å; R681-T684 PolarHBondContact O-OG1 3.04Å; D682-T684 VanDerWaalsContact C-N 3.33Å; D682-T684 PolarHBondContact O-N 3.21Å; T684-D686 VanDerWaalsContact C-N 3.31Å; T684-F688 WeakPolarHBondContact O-CB 3.49Å; T684-F688 PolarHBondContact O-N 2.94Å; T684-F688 VanDerWaalsContact O-N 3.1Å
685	V	97.6	Very high	96.9	Very high	20 Å²	20	43.3 Å²	43.3	12%	0.121	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-33.5	176.8	-70.5	0	0	0	0	112.3	P680 R681 F688 W689 A715 F728	P680-V685 HydrophobicContact CB-CG1 4.39Å; R681-V685 WeakPolarHBondContact O-CG1 3.43Å; R681-V685 PolarHBondContact O-N 3.39Å; V685-F688 WeakPolarHBondContact O-CB 3.3Å; V685-F688 PolarHBondContact O-N 3.3Å; V685-W689 PolarHBondContact O-N 3.08Å; V685-A715 HydrophobicContact CG1-CB 3.84Å; V685-F728 HydrophobicContact CB-CD1 3.85Å; V685-F728 HydrophobicContact CB-CE1 4.2Å; V685-F728 HydrophobicContact CG2-CD1 3.79Å; V685-F728 HydrophobicContact CG2-CE1 4.26Å
686	D	96.4	Very high	96.8	Very high	73 Å²	73	48.9 Å²	48.9	39%	0.39	25%	0.249	S	C	.	.	H	α-helix	trans	-74.2	-44	179.8	-62.3	-7.8	0	0	0	111.6	T684 F688 W689 R690 F728 G729	T684-D686 VanDerWaalsContact C-N 3.31Å; D686-F688 PolarHBondContact O-N 3.1Å; D686-W689 PolarHBondContact O-N 3.17Å; D686-R690 WeakPolarHBondContact O-CB 3.43Å; D686-R690 PolarHBondContact O-N 2.69Å; D686-F728 WeakPolarHBondContact OD1-CA 3.41Å; D686-F728 WeakPolarHBondContact OD1-CB 3.42Å; D686-G729 PolarHBondContact OD1-N 3.3Å; D686-G729 PolarHBondContact OD2-N 3.01Å
687	D	96.4	Very high	96.7	Very high	20 Å²	20	47.7 Å²	47.7	11%	0.107	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-37.8	170.8	-82.8	-4.8	0	0	0	111.3	K632 L648 I660 R690 M691	K632-D687 VanDerWaalsContact CE-OD2 3.29Å; K632-D687 WeakPolarHBondContact CE-OD2 3.27Å; K632-D687 IonicContact NZ-OD2 2.74Å; K632-D687 PolarHBondContact NZ-OD2 2.93Å; L648-D687 HydrophobicContact CD1-CB 4.09Å; I660-D687 HydrophobicContact CD1-CB 4.37Å; D687-R690 IonicContact OD1-CZ 2.74Å; D687-R690 IonicContact OD1-NH1 2.64Å; D687-R690 PolarHBondContact OD1-NH1 3.4Å; D687-R690 IonicContact OD1-NH2 2.65Å; D687-R690 PolarHBondContact OD1-NH2 3.3Å; D687-M691 PolarHBondContact O-N 3.44Å
688	F	98.2	Very high	96.6	Very high	13 Å²	13	52.3 Å²	52.3	6%	0.057	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-44.7	176	179.4	-91.8	0	0	0	112.3	I660 A677 P680 T684 V685 D686 M691 I692 I700 Y717	I660-F688 HydrophobicContact CD1-CB 4.41Å; A677-F688 HydrophobicContact CB-CE2 4.37Å; P680-F688 HydrophobicContact CB-CB 4.04Å; P680-F688 HydrophobicContact CB-CD2 4.36Å; P680-F688 HydrophobicContact CB-CG 4.21Å; P680-F688 HydrophobicContact CG-CB 4.35Å; P680-F688 HydrophobicContact CG-CD1 4.34Å; P680-F688 HydrophobicContact CG-CD2 4.08Å; P680-F688 HydrophobicContact CG-CE2 4.47Å; P680-F688 HydrophobicContact CG-CG 4Å; T684-F688 WeakPolarHBondContact O-CB 3.49Å; T684-F688 PolarHBondContact O-N 2.94Å; T684-F688 VanDerWaalsContact O-N 3.1Å; V685-F688 WeakPolarHBondContact O-CB 3.3Å; V685-F688 PolarHBondContact O-N 3.3Å; D686-F688 PolarHBondContact O-N 3.1Å; F688-M691 HydrophobicContact CD2-CE 4.13Å; F688-M691 HydrophobicContact CE2-CE 4.15Å; F688-M691 VanDerWaalsContact O-CB 3.31Å; F688-M691 WeakPolarHBondContact O-CB 3.14Å; F688-M691 PolarHBondContact O-N 3.08Å; F688-I692 HydrophobicContact CD1-CG1 4.35Å; F688-I692 HydrophobicContact CE1-CD1 4.5Å; F688-I692 HydrophobicContact CE1-CG1 4.01Å; F688-I692 HydrophobicContact CZ-CD1 4.33Å; F688-I692 HydrophobicContact CZ-CG1 4.31Å; F688-I692 WeakPolarHBondContact O-CG1 3.46Å; F688-I692 PolarHBondContact O-N 2.84Å; F688-I700 HydrophobicContact CE1-CD1 4.2Å; F688-I700 HydrophobicContact CZ-CD1 4.41Å; F688-I700 HydrophobicContact CZ-CG2 4.33Å; F688-Y717 HydrophobicContact CD1-CD2 4.12Å; F688-Y717 HydrophobicContact CD1-CG 4.29Å; F688-Y717 AromaticContact CE1-CD2 3.54Å; F688-Y717 HydrophobicContact CE1-CD2 3.54Å; F688-Y717 AromaticContact CE1-CE2 3.65Å; F688-Y717 HydrophobicContact CE1-CE2 3.65Å; F688-Y717 HydrophobicContact CE1-CG 4.03Å; F688-Y717 HydrophobicContact CZ-CD2 4.35Å; F688-Y717 HydrophobicContact CZ-CE2 4.08Å
689	W	97.8	Very high	96.6	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-71.6	-32.9	176.1	-80.2	110.8	0	0	0	113.5	V685 D686 M691 I692 W693 I700 Y717 F728 V731 V733 L749 I751	V685-W689 PolarHBondContact O-N 3.08Å; D686-W689 PolarHBondContact O-N 3.17Å; W689-M691 VanDerWaalsContact C-N 3.31Å; W689-M691 PolarHBondContact O-N 3.37Å; W689-I692 HydrophobicContact CE3-CB 3.89Å; W689-I692 HydrophobicContact CE3-CG1 4.23Å; W689-I692 HydrophobicContact CE3-CG2 3.85Å; W689-I692 HydrophobicContact CZ3-CB 4.2Å; W689-I692 HydrophobicContact CZ3-CG1 4.44Å; W689-I692 HydrophobicContact CZ3-CG2 3.7Å; W689-I692 PolarHBondContact O-N 2.93Å; W689-W693 PolarHBondContact O-N 3.04Å; W689-I700 HydrophobicContact CH2-CD1 3.79Å; W689-I700 HydrophobicContact CZ2-CD1 4.47Å; W689-I700 HydrophobicContact CZ3-CD1 4.06Å; W689-Y717 VanDerWaalsContact CE2-O 3.31Å; W689-Y717 AromaticContact CZ2-CD2 3.95Å; W689-Y717 HydrophobicContact CZ2-CD2 3.95Å; W689-Y717 WeakPolarHBondContact CZ2-O 3.47Å; W689-Y717 PolarHBondContact NE1-O 3.44Å; W689-F728 HydrophobicContact CB-CB 4.14Å; W689-F728 VanDerWaalsContact CD1-CB 3.47Å; W689-F728 AromaticContact CD1-CD1 3.94Å; W689-F728 AromaticContact CD1-CD2 3.56Å; W689-F728 AromaticContact CD1-CG 3.39Å; W689-F728 HydrophobicContact CG-CB 4.04Å; W689-F728 HydrophobicContact CG-CD2 4.36Å; W689-F728 HydrophobicContact CG-CG 4.32Å; W689-F728 AromaticContact NE1-CD2 3.56Å; W689-F728 AromaticContact NE1-CE2 3.74Å; W689-F728 AromaticContact NE1-CG 3.82Å; W689-V731 HydrophobicContact CB-CB 3.96Å; W689-V731 HydrophobicContact CB-CG1 4.13Å; W689-V731 HydrophobicContact CB-CG2 4.25Å; W689-V731 HydrophobicContact CE3-CG1 4.37Å; W689-V733 HydrophobicContact CD2-CG2 3.67Å; W689-V733 HydrophobicContact CE3-CG2 3.97Å; W689-V733 HydrophobicContact CG-CG2 4.16Å; W689-V733 HydrophobicContact CH2-CG1 4.06Å; W689-V733 HydrophobicContact CH2-CG2 4.18Å; W689-V733 HydrophobicContact CZ2-CG1 3.87Å; W689-V733 HydrophobicContact CZ2-CG2 3.87Å; W689-V733 HydrophobicContact CZ3-CG2 4.22Å; W689-L749 HydrophobicContact CH2-CD1 4.16Å; W689-I751 HydrophobicContact CE3-CG2 4.19Å; W689-I751 HydrophobicContact CH2-CG2 4.21Å; W689-I751 HydrophobicContact CZ3-CD1 4.3Å; W689-I751 HydrophobicContact CZ3-CG2 3.66Å
690	R	96.8	Very high	96.7	Very high	42 Å²	42	57.9 Å²	57.9	16%	0.158	29%	0.291	C	S	.	.	H	α-helix	trans	-57.4	-45.1	168.1	-175.1	161.9	77.4	-93.2	0.7	110.7	S657 D686 D687 I692 W693 E694	S657-R690 PolarHBondContact O-NH2 3.06Å; D686-R690 WeakPolarHBondContact O-CB 3.43Å; D686-R690 PolarHBondContact O-N 2.69Å; D687-R690 IonicContact OD1-CZ 2.74Å; D687-R690 IonicContact OD1-NH1 2.64Å; D687-R690 PolarHBondContact OD1-NH1 3.4Å; D687-R690 IonicContact OD1-NH2 2.65Å; D687-R690 PolarHBondContact OD1-NH2 3.3Å; R690-I692 PolarHBondContact O-N 2.89Å; R690-W693 PolarHBondContact O-N 3.28Å; R690-E694 HydrophobicContact CG-CG 4.17Å; R690-E694 WeakPolarHBondContact CG-OE1 3.42Å; R690-E694 WeakPolarHBondContact O-CB 3.31Å; R690-E694 WeakPolarHBondContact O-CG 3.4Å; R690-E694 PolarHBondContact O-N 3.25Å
691	M	97.9	Very high	96.8	Very high	4 Å²	4	63 Å²	63	2%	0.02	32%	0.322	C	S	.	.	H	α-helix	trans	-57.4	-49	173.7	-167.8	-170	62.8	0	0	112.4	V646 L648 I660 A662 I675 A677 D687 F688 W689 W693 Q695	V646-M691 HydrophobicContact CB-SD 4.21Å; V646-M691 HydrophobicContact CG1-CG 3.76Å; V646-M691 HydrophobicContact CG1-SD 4.03Å; V646-M691 HydrophobicContact CG2-SD 4.28Å; L648-M691 HydrophobicContact CD2-CB 3.67Å; L648-M691 HydrophobicContact CD2-CG 3.97Å; I660-M691 HydrophobicContact CD1-CB 4.03Å; I660-M691 HydrophobicContact CD1-CG 4.47Å; I660-M691 HydrophobicContact CD1-SD 3.96Å; I660-M691 HydrophobicContact CG2-SD 4.14Å; A662-M691 HydrophobicContact CB-SD 3.73Å; I675-M691 HydrophobicContact CG2-CE 4.18Å; I675-M691 HydrophobicContact CG2-SD 4.03Å; A677-M691 HydrophobicContact CB-CE 4.13Å; D687-M691 PolarHBondContact O-N 3.44Å; F688-M691 HydrophobicContact CD2-CE 4.13Å; F688-M691 HydrophobicContact CE2-CE 4.15Å; F688-M691 VanDerWaalsContact O-CB 3.31Å; F688-M691 WeakPolarHBondContact O-CB 3.14Å; F688-M691 PolarHBondContact O-N 3.08Å; W689-M691 VanDerWaalsContact C-N 3.31Å; W689-M691 PolarHBondContact O-N 3.37Å; M691-W693 VanDerWaalsContact C-N 3.3Å; M691-W693 PolarHBondContact O-N 3.35Å; M691-Q695 HydrophobicContact CG-CG 4.19Å; M691-Q695 VanDerWaalsContact O-CB 3.3Å; M691-Q695 WeakPolarHBondContact O-CB 3.49Å; M691-Q695 VanDerWaalsContact O-CG 3.27Å; M691-Q695 WeakPolarHBondContact O-CG 3.36Å; M691-Q695 PolarHBondContact O-N 2.8Å
692	I	98.1	Very high	96.9	Very high	11 Å²	11	63.3 Å²	63.3	6%	0.056	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-40.1	-179.1	-66.4	-62.2	0	0	0	111.5	F688 W689 R690 K696 A697 I700 I751	F688-I692 HydrophobicContact CD1-CG1 4.35Å; F688-I692 HydrophobicContact CE1-CD1 4.5Å; F688-I692 HydrophobicContact CE1-CG1 4.01Å; F688-I692 HydrophobicContact CZ-CD1 4.33Å; F688-I692 HydrophobicContact CZ-CG1 4.31Å; F688-I692 WeakPolarHBondContact O-CG1 3.46Å; F688-I692 PolarHBondContact O-N 2.84Å; W689-I692 HydrophobicContact CE3-CB 3.89Å; W689-I692 HydrophobicContact CE3-CG1 4.23Å; W689-I692 HydrophobicContact CE3-CG2 3.85Å; W689-I692 HydrophobicContact CZ3-CB 4.2Å; W689-I692 HydrophobicContact CZ3-CG1 4.44Å; W689-I692 HydrophobicContact CZ3-CG2 3.7Å; W689-I692 PolarHBondContact O-N 2.93Å; R690-I692 PolarHBondContact O-N 2.89Å; I692-K696 PolarHBondContact O-N 2.82Å; I692-K696 VanDerWaalsContact O-N 3.15Å; I692-A697 HydrophobicContact CD1-CB 3.93Å; I692-A697 HydrophobicContact CG2-CB 4.29Å; I692-A697 WeakPolarHBondContact CG2-O 3.48Å; I692-A697 PolarHBondContact O-N 2.97Å; I692-I700 HydrophobicContact CD1-CD1 3.83Å; I692-I700 HydrophobicContact CD1-CG1 3.85Å; I692-I700 HydrophobicContact CG1-CD1 3.97Å; I692-I700 HydrophobicContact CG2-CD1 4.4Å; I692-I751 HydrophobicContact CG2-CD1 3.96Å
693	W	96.9	Very high	96.9	Very high	100 Å²	100	65.1 Å²	65.1	38%	0.379	34%	0.341	S	S	.	.	H	α-helix	trans	-68.9	-53.2	177.4	-177.1	-107.4	0	0	0	112.7	W689 R690 M691 Q695 K696 V731 I751 N753	W689-W693 PolarHBondContact O-N 3.04Å; R690-W693 PolarHBondContact O-N 3.28Å; M691-W693 VanDerWaalsContact C-N 3.3Å; M691-W693 PolarHBondContact O-N 3.35Å; W693-Q695 PolarHBondContact O-N 2.98Å; W693-K696 PolarHBondContact O-N 2.74Å; W693-V731 HydrophobicContact CB-CG2 4.18Å; W693-I751 HydrophobicContact CE3-CD1 4.01Å; W693-I751 HydrophobicContact CE3-CG1 4.07Å; W693-I751 HydrophobicContact CZ3-CG1 4.19Å; W693-N753 HydrophobicContact CD2-CB 3.82Å; W693-N753 HydrophobicContact CE3-CB 4.35Å; W693-N753 HydrophobicContact CG-CB 4.29Å; W693-N753 HydrophobicContact CH2-CB 4.06Å; W693-N753 HydrophobicContact CZ2-CB 3.48Å; W693-N753 VanDerWaalsContact CZ2-CB 3.48Å; W693-N753 HydrophobicContact CZ3-CB 4.46Å
694	E	96.8	Very high	96.9	Very high	49 Å²	49	61.4 Å²	61.4	23%	0.229	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-43.8	-178.7	-72.3	178.5	167	0	0	112.2	L648 S649 R690 K696	L648-E694 VanDerWaalsContact CA-OE2 3.27Å; L648-E694 WeakPolarHBondContact CA-OE2 3.3Å; L648-E694 WeakPolarHBondContact CD2-OE2 3.36Å; S649-E694 WeakPolarHBondContact CB-OE1 3.09Å; S649-E694 PolarHBondContact N-OE1 2.79Å; S649-E694 VanDerWaalsContact N-OE1 3.08Å; S649-E694 PolarHBondContact N-OE2 3.11Å; S649-E694 PolarHBondContact OG-OE1 2.72Å; R690-E694 HydrophobicContact CG-CG 4.17Å; R690-E694 WeakPolarHBondContact CG-OE1 3.42Å; R690-E694 WeakPolarHBondContact O-CB 3.31Å; R690-E694 WeakPolarHBondContact O-CG 3.4Å; R690-E694 PolarHBondContact O-N 3.25Å; E694-K696 PolarHBondContact O-N 2.74Å
695	Q	96.7	Very high	96.7	Very high	66 Å²	66	70 Å²	70	31%	0.308	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0.2	178.3	-53	-50.3	-36.8	0	0	113.2	V646 Y664 I675 M691 W693 A697	V646-Q695 HydrophobicContact CG1-CG 4.05Å; Y664-Q695 VanDerWaalsContact OH-CD 3.29Å; Y664-Q695 PolarHBondContact OH-NE2 3.15Å; Y664-Q695 PolarHBondContact OH-OE1 3.3Å; I675-Q695 HydrophobicContact CD1-CB 4.03Å; I675-Q695 HydrophobicContact CD1-CG 4Å; M691-Q695 HydrophobicContact CG-CG 4.19Å; M691-Q695 VanDerWaalsContact O-CB 3.3Å; M691-Q695 WeakPolarHBondContact O-CB 3.49Å; M691-Q695 VanDerWaalsContact O-CG 3.27Å; M691-Q695 WeakPolarHBondContact O-CG 3.36Å; M691-Q695 PolarHBondContact O-N 2.8Å; W693-Q695 PolarHBondContact O-N 2.98Å; Q695-A697 PolarHBondContact O-N 3.3Å
696	K	96.3	Very high	96.6	Very high	174 Å²	174	70.5 Å²	70.5	76%	0.757	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	36.4	177.6	-59.6	168.5	-173.7	171.4	0	112.7	I692 W693 E694 T698	I692-K696 PolarHBondContact O-N 2.82Å; I692-K696 VanDerWaalsContact O-N 3.15Å; W693-K696 PolarHBondContact O-N 2.74Å; E694-K696 PolarHBondContact O-N 2.74Å; K696-T698 PolarHBondContact O-N 3.31Å
697	A	96.2	Very high	96.4	Very high	30 Å²	30	73 Å²	73	25%	0.248	37%	0.373	C	S	.	.			trans	-76.4	111.2	-174	0	0	0	0	0	110.9	I692 Q695	I692-A697 HydrophobicContact CD1-CB 3.93Å; I692-A697 HydrophobicContact CG2-CB 4.29Å; I692-A697 WeakPolarHBondContact CG2-O 3.48Å; I692-A697 PolarHBondContact O-N 2.97Å; Q695-A697 PolarHBondContact O-N 3.3Å
698	T	95.9	Very high	96.2	Very high	140 Å²	140	76 Å²	76	86%	0.859	39%	0.385	S	S	*	.			trans	-91.1	-5.3	-177.4	53.5	0	0	0	0	114.3	K696	K696-T698 PolarHBondContact O-N 3.31Å
699	V	97.3	Very high	95.6	Very high	110 Å²	110	78.9 Å²	78.9	67%	0.667	42%	0.419	S	S	*	.			trans	-137.5	124	-178.3	-177.2	0	0	0	0	109.5	V701	V699-V701 HydrophobicContact CG1-CG2 4.09Å
700	I	98.1	Very high	95	Very high	59 Å²	59	86.1 Å²	86.1	30%	0.303	46%	0.458	S	S	.	.			trans	-113.1	128.6	172.4	-55.6	176.2	0	0	0	107.7	F688 W689 I692 Y717	F688-I700 HydrophobicContact CE1-CD1 4.2Å; F688-I700 HydrophobicContact CZ-CD1 4.41Å; F688-I700 HydrophobicContact CZ-CG2 4.33Å; W689-I700 HydrophobicContact CH2-CD1 3.79Å; W689-I700 HydrophobicContact CZ2-CD1 4.47Å; W689-I700 HydrophobicContact CZ3-CD1 4.06Å; I692-I700 HydrophobicContact CD1-CD1 3.83Å; I692-I700 HydrophobicContact CD1-CG1 3.85Å; I692-I700 HydrophobicContact CG1-CD1 3.97Å; I692-I700 HydrophobicContact CG2-CD1 4.4Å; I700-Y717 HydrophobicContact CD1-CE2 4.32Å; I700-Y717 HydrophobicContact CG2-CE2 4.29Å; I700-Y717 WeakPolarHBondContact CG2-OH 3.41Å
701	V	97.8	Very high	94.7	Very high	111 Å²	111	93.1 Å²	93.1	67%	0.673	49%	0.485	S	S	*	.			trans	-112.9	94.5	179.7	-174.6	0	0	0	0	109	V699	V699-V701 HydrophobicContact CG1-CG2 4.09Å
702	M	97.3	Very high	94.4	Very high	64 Å²	64	96 Å²	96	32%	0.315	50%	0.5	S	S	.	.			trans	-83.2	114.7	177.7	-168.3	-179.7	-173.2	0	0	110.4	T704 C714 Y717 W718	M702-T704 HydrophobicContact CE-CG2 3.8Å; M702-T704 HydrophobicContact CG-CG2 4.11Å; M702-C714 HydrophobicContact CE-CB 3.87Å; M702-Y717 HydrophobicContact CE-CE1 4.28Å; M702-Y717 HydrophobicContact SD-CE1 4.14Å; M702-W718 HydrophobicContact CE-CH2 3.86Å; M702-W718 HydrophobicContact CE-CZ3 3.93Å; M702-W718 HydrophobicContact SD-CH2 3.6Å; M702-W718 VanDerWaalsContact SD-CH2 3.6Å; M702-W718 HydrophobicContact SD-CZ3 3.46Å; M702-W718 WeakPolarHBondContact SD-CZ3 3.45Å
703	V	96.3	Very high	94.2	Very high	141 Å²	141	98.4 Å²	98.4	86%	0.855	51%	0.51	S	S	*	.			trans	-111.5	27.4	-178	-113.2	0	0	0	0	112.8
704	T	93.1	Very high	94.2	Very high	51 Å²	51	93.7 Å²	93.7	31%	0.313	49%	0.493	S	S	.	.	S	Bend	trans	-140.2	161.1	179.2	-176.2	0	0	0	0	109.9	M702 C714	M702-T704 HydrophobicContact CE-CG2 3.8Å; M702-T704 HydrophobicContact CG-CG2 4.11Å; T704-C714 HydrophobicContact CG2-CB 4.08Å
705	R	93.4	Very high	94.2	Very high	189 Å²	189	91.5 Å²	91.5	71%	0.713	48%	0.483	S	S	*	.			trans	-85.9	163.9	160.4	-63.1	-178.5	-177.8	-177	2	110	E707 E708	R705-E707 VanDerWaalsContact C-N 3.31Å; R705-E707 WeakPolarHBondContact CB-O 3.37Å; R705-E708 HydrophobicContact CB-CG 4.19Å
706	C	93.8	Very high	94.1	Very high	30 Å²	30	92.6 Å²	92.6	20%	0.203	49%	0.488	C	S	.	.	S	Bend	trans	-66.4	-36.5	170.1	-56.3	0	0	0	0	111.3	K713 C714 W718	C706-K713 PolarHBondContact O-N 2.91Å; C706-C714 WeakPolarHBondContact CA-O 3.47Å; C706-C714 WeakPolarHBondContact CB-O 3.41Å; C706-C714 PolarHBondContact O-N 3.03Å; C706-W718 VanDerWaalsContact SG-CH2 3.57Å
707	E	92.7	Very high	94.2	Very high	126 Å²	126	85 Å²	85	59%	0.589	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.5	176.8	-60.2	-163.8	146.3	0	0	112.6	R705 R711	R705-E707 VanDerWaalsContact C-N 3.31Å; R705-E707 WeakPolarHBondContact CB-O 3.37Å; E707-R711 WeakPolarHBondContact CA-O 3.3Å
708	E	92.1	Very high	94.2	Very high	81 Å²	81	85 Å²	85	38%	0.379	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	126.9	174.4	-61.7	176.4	160	0	0	109.5	R705 N710 R711 K713	R705-E708 HydrophobicContact CB-CG 4.19Å; E708-N710 VanDerWaalsContact C-N 3.27Å; E708-N710 PolarHBondContact O-N 3.26Å; E708-R711 PolarHBondContact N-O 3Å; E708-R711 PolarHBondContact O-N 2.87Å; E708-R711 VanDerWaalsContact O-N 3.07Å; E708-K713 HydrophobicContact CB-CG 3.95Å; E708-K713 HydrophobicContact CG-CG 3.88Å; E708-K713 WeakPolarHBondContact OE2-CE 3.15Å; E708-K713 IonicContact OE2-NZ 2.67Å; E708-K713 PolarHBondContact OE2-NZ 3.4Å
709	G	86.1	Confident	94.2	Very high	74 Å²	74	78.3 Å²	78.3	76%	0.763	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	39	179.6	0	0	0	0	0	113.6	R711	G709-R711 VanDerWaalsContact C-N 3.26Å; G709-R711 PolarHBondContact O-N 2.87Å
710	N	86.4	Confident	94	Very high	157 Å²	157	74.9 Å²	74.9	84%	0.84	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	33.6	-175.1	-54.8	0.2	0	0	0	113.6	E708	E708-N710 VanDerWaalsContact C-N 3.27Å; E708-N710 PolarHBondContact O-N 3.26Å
711	R	89.4	Confident	93.7	Very high	188 Å²	188	76.1 Å²	76.1	71%	0.709	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	130.9	171.3	-61.4	-176.4	-178.9	-167.7	-0.2	110.2	E707 E708 G709 K713	E707-R711 WeakPolarHBondContact CA-O 3.3Å; E708-R711 PolarHBondContact N-O 3Å; E708-R711 PolarHBondContact O-N 2.87Å; E708-R711 VanDerWaalsContact O-N 3.07Å; G709-R711 VanDerWaalsContact C-N 3.26Å; G709-R711 PolarHBondContact O-N 2.87Å; R711-K713 PolarHBondContact O-N 3.33Å
712	N	91.4	Very high	93.3	Very high	65 Å²	65	79.5 Å²	79.5	35%	0.348	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	122.4	171.5	178.3	-57.2	0	0	0	109.9	R634	R634-N712 VanDerWaalsContact CZ-OD1 3.28Å; R634-N712 PolarHBondContact NH1-O 3.29Å; R634-N712 PolarHBondContact NH1-OD1 2.74Å; R634-N712 PolarHBondContact NH2-OD1 3.22Å
713	K	94.6	Very high	93.1	Very high	61 Å²	61	80.9 Å²	80.9	27%	0.265	41%	0.407	S	S	.	.			trans	-107.1	-31.3	179.5	-67.3	-66.8	-170.3	140.3	0	112.3	R634 C706 E708 R711	R634-K713 VanDerWaalsContact CD-O 3.31Å; R634-K713 WeakPolarHBondContact CD-O 3.29Å; R634-K713 VanDerWaalsContact CZ-C 3.49Å; R634-K713 VanDerWaalsContact CZ-O 3.24Å; R634-K713 PolarHBondContact NE-O 2.83Å; R634-K713 VanDerWaalsContact NE-O 3.13Å; C706-K713 PolarHBondContact O-N 2.91Å; E708-K713 HydrophobicContact CB-CG 3.95Å; E708-K713 HydrophobicContact CG-CG 3.88Å; E708-K713 WeakPolarHBondContact OE2-CE 3.15Å; E708-K713 IonicContact OE2-NZ 2.67Å; E708-K713 PolarHBondContact OE2-NZ 3.4Å; R711-K713 PolarHBondContact O-N 3.33Å
714	C	96.8	Very high	92.9	Very high	2 Å²	2	75 Å²	75	1%	0.014	38%	0.376	C	S	.	.	S	Bend	trans	-153	140.9	179.1	-172.2	0	0	0	0	108.7	P680 M702 T704 C706	P680-C714 VanDerWaalsContact CD-SG 3.59Å; M702-C714 HydrophobicContact CE-CB 3.87Å; T704-C714 HydrophobicContact CG2-CB 4.08Å; C706-C714 WeakPolarHBondContact CA-O 3.47Å; C706-C714 WeakPolarHBondContact CB-O 3.41Å; C706-C714 PolarHBondContact O-N 3.03Å
715	A	96	Very high	93	Very high	2 Å²	2	75.5 Å²	75.5	2%	0.017	38%	0.378	C	S	.	.			trans	-71.4	156.2	168	0	0	0	0	0	111	P680 D682 V685 Y717	P680-A715 PolarHBondContact O-N 3.48Å; D682-A715 HydrophobicContact CB-CB 4.49Å; D682-A715 WeakPolarHBondContact OD1-CB 3.23Å; V685-A715 HydrophobicContact CG1-CB 3.84Å; A715-Y717 WeakPolarHBondContact O-CD1 3.27Å; A715-Y717 PolarHBondContact O-N 3.13Å; A715-Y717 VanDerWaalsContact O-N 3.11Å
716	E	96.2	Very high	93.2	Very high	89 Å²	89	69.9 Å²	69.9	42%	0.416	36%	0.357	S	S	.	.			trans	-82.1	85.9	175.5	179.9	146.9	172.4	0	0	110.7	W718 R726	E716-W718 HydrophobicContact CG-CD2 4.03Å; E716-W718 HydrophobicContact CG-CG 4.37Å; E716-W718 HydrophobicContact CG-CH2 4.41Å; E716-W718 HydrophobicContact CG-CZ2 3.79Å; E716-W718 PolarHBondContact O-N 3.4Å; E716-W718 PolarHBondContact OE1-NE1 3.04Å; E716-R726 PolarHBondContact O-NH1 3.02Å
717	Y	96.9	Very high	93.2	Very high	14 Å²	14	71.4 Å²	71.4	6%	0.055	37%	0.372	C	S	.	.			trans	-80.5	20.9	-175.7	62.7	-94.9	0	0	0	114.2	P680 F688 W689 I700 M702 A715 F728	P680-Y717 HydrophobicContact CG-CD1 3.55Å; P680-Y717 HydrophobicContact CG-CE1 4.22Å; P680-Y717 HydrophobicContact CG-CG 4.09Å; F688-Y717 HydrophobicContact CD1-CD2 4.12Å; F688-Y717 HydrophobicContact CD1-CG 4.29Å; F688-Y717 AromaticContact CE1-CD2 3.54Å; F688-Y717 HydrophobicContact CE1-CD2 3.54Å; F688-Y717 AromaticContact CE1-CE2 3.65Å; F688-Y717 HydrophobicContact CE1-CE2 3.65Å; F688-Y717 HydrophobicContact CE1-CG 4.03Å; F688-Y717 HydrophobicContact CZ-CD2 4.35Å; F688-Y717 HydrophobicContact CZ-CE2 4.08Å; W689-Y717 VanDerWaalsContact CE2-O 3.31Å; W689-Y717 AromaticContact CZ2-CD2 3.95Å; W689-Y717 HydrophobicContact CZ2-CD2 3.95Å; W689-Y717 WeakPolarHBondContact CZ2-O 3.47Å; W689-Y717 PolarHBondContact NE1-O 3.44Å; I700-Y717 HydrophobicContact CD1-CE2 4.32Å; I700-Y717 HydrophobicContact CG2-CE2 4.29Å; I700-Y717 WeakPolarHBondContact CG2-OH 3.41Å; M702-Y717 HydrophobicContact CE-CE1 4.28Å; M702-Y717 HydrophobicContact SD-CE1 4.14Å; A715-Y717 WeakPolarHBondContact O-CD1 3.27Å; A715-Y717 PolarHBondContact O-N 3.13Å; A715-Y717 VanDerWaalsContact O-N 3.11Å; Y717-F728 VanDerWaalsContact O-CZ 3.28Å; Y717-F728 WeakPolarHBondContact O-CZ 3.34Å
718	W	97.1	Very high	93.4	Very high	31 Å²	31	65.8 Å²	65.8	12%	0.117	35%	0.346	C	S	.	.	S	Bend	trans	-133.7	154.8	175.6	58.8	79.9	0	0	0	110.8	M702 C706 E716 R726 Q747 L749	M702-W718 HydrophobicContact CE-CH2 3.86Å; M702-W718 HydrophobicContact CE-CZ3 3.93Å; M702-W718 HydrophobicContact SD-CH2 3.6Å; M702-W718 VanDerWaalsContact SD-CH2 3.6Å; M702-W718 HydrophobicContact SD-CZ3 3.46Å; M702-W718 WeakPolarHBondContact SD-CZ3 3.45Å; C706-W718 VanDerWaalsContact SG-CH2 3.57Å; E716-W718 HydrophobicContact CG-CD2 4.03Å; E716-W718 HydrophobicContact CG-CG 4.37Å; E716-W718 HydrophobicContact CG-CH2 4.41Å; E716-W718 HydrophobicContact CG-CZ2 3.79Å; E716-W718 PolarHBondContact O-N 3.4Å; E716-W718 PolarHBondContact OE1-NE1 3.04Å; W718-R726 VanDerWaalsContact O-CZ 3.3Å; W718-R726 PolarHBondContact O-NH1 3.26Å; W718-R726 VanDerWaalsContact O-NH1 3.17Å; W718-R726 PolarHBondContact O-NH2 3.41Å; W718-Q747 VanDerWaalsContact CD1-NE2 3.27Å; W718-L749 HydrophobicContact CB-CD2 4.28Å
719	P	96.2	Very high	93.4	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.349	C	S	.	.			trans	-68.4	141.2	167.9	29.4	-35.5	0	0	0	110.9	E723 R726 V733 I735	P719-E723 HydrophobicContact CB-CB 4.19Å; P719-R726 HydrophobicContact CB-CB 3.89Å; P719-V733 HydrophobicContact CG-CG1 4.45Å; P719-V733 WeakPolarHBondContact CG-O 3.18Å; P719-I735 HydrophobicContact CB-CG2 4.44Å; P719-I735 HydrophobicContact CG-CB 4.01Å; P719-I735 HydrophobicContact CG-CG2 3.92Å
720	S	93.4	Very high	93.8	Very high	37 Å²	37	66.7 Å²	66.7	26%	0.259	35%	0.346	S	S	.	.			trans	-62.2	162.7	164.5	65.4	0	0	0	0	111.1	E722 E723 G724	S720-E722 PolarHBondContact O-N 3.21Å; S720-E723 VanDerWaalsContact CB-OE1 3.28Å; S720-E723 WeakPolarHBondContact CB-OE1 3.44Å; S720-E723 PolarHBondContact N-OE1 3.4Å; S720-E723 VanDerWaalsContact N-OE1 3.07Å; S720-E723 PolarHBondContact O-N 3.21Å; S720-E723 WeakPolarHBondContact OG-CG 3.47Å; S720-E723 PolarHBondContact OG-N 3.42Å; S720-E723 PolarHBondContact OG-OE1 2.88Å; S720-G724 PolarHBondContact O-N 3.34Å
721	M	90	Very high	94.3	Very high	85 Å²	85	59.3 Å²	59.3	42%	0.419	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.9	175.1	-79.6	-58.1	-40.2	0	0	112.8	I735 H738	M721-I735 HydrophobicContact CE-CG2 4.45Å; M721-I735 HydrophobicContact CG-CD1 4.43Å; M721-I735 HydrophobicContact SD-CB 4.34Å; M721-I735 HydrophobicContact SD-CD1 3.8Å; M721-I735 HydrophobicContact SD-CG1 3.75Å; M721-I735 HydrophobicContact SD-CG2 3.76Å; M721-H738 HydrophobicContact CG-CB 3.62Å; M721-H738 HydrophobicContact SD-CB 3.66Å
722	E	90.7	Very high	94.6	Very high	183 Å²	183	53 Å²	53	86%	0.855	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-36.9	178.4	-48.8	-51.2	132	0	0	112	S720	S720-E722 PolarHBondContact O-N 3.21Å
723	E	92.4	Very high	94.9	Very high	92 Å²	92	50 Å²	50	43%	0.43	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-38.9	170.6	-70.5	162.1	-98.3	0	0	111.8	P719 S720 T725 R726	P719-E723 HydrophobicContact CB-CB 4.19Å; S720-E723 VanDerWaalsContact CB-OE1 3.28Å; S720-E723 WeakPolarHBondContact CB-OE1 3.44Å; S720-E723 PolarHBondContact N-OE1 3.4Å; S720-E723 VanDerWaalsContact N-OE1 3.07Å; S720-E723 PolarHBondContact O-N 3.21Å; S720-E723 WeakPolarHBondContact OG-CG 3.47Å; S720-E723 PolarHBondContact OG-N 3.42Å; S720-E723 PolarHBondContact OG-OE1 2.88Å; E723-T725 PolarHBondContact O-N 2.82Å; E723-R726 VanDerWaalsContact CD-NH2 3.27Å; E723-R726 IonicContact OE1-CZ 2.64Å; E723-R726 IonicContact OE1-NH2 3.89Å; E723-R726 PolarHBondContact OE1-NH2 3.32Å; E723-R726 IonicContact OE2-CZ 3.76Å; E723-R726 IonicContact OE2-NE 3.99Å; E723-R726 PolarHBondContact OE2-NE 2.64Å; E723-R726 IonicContact OE2-NH2 2.62Å; E723-R726 PolarHBondContact OE2-NH2 3.08Å
724	G	92.4	Very high	95	Very high	18 Å²	18	51.9 Å²	51.9	19%	0.186	28%	0.281	C	S	.	.			trans	68.8	-32.5	-179.2	0	0	0	0	0	115.3	S720 K734 I735	S720-G724 PolarHBondContact O-N 3.34Å; G724-K734 WeakPolarHBondContact O-CA 3.04Å; G724-I735 PolarHBondContact O-N 2.65Å
725	T	95.2	Very high	95	Very high	61 Å²	61	52 Å²	52	37%	0.374	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	132.8	-179.9	-59.9	0	0	0	0	111	E723 V732 V733 K734	E723-T725 PolarHBondContact O-N 2.82Å; T725-V732 HydrophobicContact CG2-CG1 3.5Å; T725-V732 VanDerWaalsContact CG2-CG1 3.5Å; T725-V733 CarbonylContact C-O 3.55Å; T725-V733 VanDerWaalsContact CA-O 3.3Å; T725-V733 WeakPolarHBondContact CA-O 3.38Å; T725-K734 HydrophobicContact CG2-CB 4.2Å; T725-K734 WeakPolarHBondContact OG1-CB 3.37Å; T725-K734 WeakPolarHBondContact OG1-CG 3.27Å
726	R	96.8	Very high	94.9	Very high	72 Å²	72	55.8 Å²	55.8	27%	0.272	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.2	176	-164.8	-168.2	-60.1	156.3	1.4	109.4	E716 W718 P719 E723 F728 V733	E716-R726 PolarHBondContact O-NH1 3.02Å; W718-R726 VanDerWaalsContact O-CZ 3.3Å; W718-R726 PolarHBondContact O-NH1 3.26Å; W718-R726 VanDerWaalsContact O-NH1 3.17Å; W718-R726 PolarHBondContact O-NH2 3.41Å; P719-R726 HydrophobicContact CB-CB 3.89Å; E723-R726 VanDerWaalsContact CD-NH2 3.27Å; E723-R726 IonicContact OE1-CZ 2.64Å; E723-R726 IonicContact OE1-NH2 3.89Å; E723-R726 PolarHBondContact OE1-NH2 3.32Å; E723-R726 IonicContact OE2-CZ 3.76Å; E723-R726 IonicContact OE2-NE 3.99Å; E723-R726 PolarHBondContact OE2-NE 2.64Å; E723-R726 IonicContact OE2-NH2 2.62Å; E723-R726 PolarHBondContact OE2-NH2 3.08Å; R726-F728 HydrophobicContact CB-CE2 4.07Å; R726-F728 HydrophobicContact CB-CZ 4.4Å; R726-F728 HydrophobicContact CG-CE2 4.35Å; R726-F728 HydrophobicContact CG-CZ 4.34Å; R726-V733 PolarHBondContact N-O 3Å; R726-V733 PolarHBondContact O-N 3.41Å
727	A	95.4	Very high	94.9	Very high	61 Å²	61	56.5 Å²	56.5	50%	0.504	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	143.5	172.1	0	0	0	0	0	110.8	V732	A727-V732 HydrophobicContact CB-CG2 4.24Å
728	F	95.6	Very high	94.8	Very high	9 Å²	9	59.7 Å²	59.7	4%	0.039	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	99.7	175.8	-62.7	-88.8	0	0	0	107.2	V685 D686 W689 Y717 R726 D730 V731 V733	V685-F728 HydrophobicContact CB-CD1 3.85Å; V685-F728 HydrophobicContact CB-CE1 4.2Å; V685-F728 HydrophobicContact CG2-CD1 3.79Å; V685-F728 HydrophobicContact CG2-CE1 4.26Å; D686-F728 WeakPolarHBondContact OD1-CA 3.41Å; D686-F728 WeakPolarHBondContact OD1-CB 3.42Å; W689-F728 HydrophobicContact CB-CB 4.14Å; W689-F728 VanDerWaalsContact CD1-CB 3.47Å; W689-F728 AromaticContact CD1-CD1 3.94Å; W689-F728 AromaticContact CD1-CD2 3.56Å; W689-F728 AromaticContact CD1-CG 3.39Å; W689-F728 HydrophobicContact CG-CB 4.04Å; W689-F728 HydrophobicContact CG-CD2 4.36Å; W689-F728 HydrophobicContact CG-CG 4.32Å; W689-F728 AromaticContact NE1-CD2 3.56Å; W689-F728 AromaticContact NE1-CE2 3.74Å; W689-F728 AromaticContact NE1-CG 3.82Å; Y717-F728 VanDerWaalsContact O-CZ 3.28Å; Y717-F728 WeakPolarHBondContact O-CZ 3.34Å; R726-F728 HydrophobicContact CB-CE2 4.07Å; R726-F728 HydrophobicContact CB-CZ 4.4Å; R726-F728 HydrophobicContact CG-CE2 4.35Å; R726-F728 HydrophobicContact CG-CZ 4.34Å; F728-D730 PolarHBondContact O-N 2.94Å; F728-V731 PolarHBondContact N-O 3.25Å; F728-V731 PolarHBondContact O-N 2.84Å; F728-V733 HydrophobicContact CD2-CB 4.08Å; F728-V733 HydrophobicContact CD2-CG2 3.64Å; F728-V733 HydrophobicContact CE2-CB 4.04Å; F728-V733 HydrophobicContact CE2-CG2 4.03Å
729	G	93	Very high	94.8	Very high	43 Å²	43	64.8 Å²	64.8	44%	0.443	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-131.6	-160.1	0	0	0	0	0	110.9	D686 V731	D686-G729 PolarHBondContact OD1-N 3.3Å; D686-G729 PolarHBondContact OD2-N 3.01Å; G729-V731 VanDerWaalsContact C-N 3.27Å; G729-V731 PolarHBondContact O-N 2.69Å
730	D	93.2	Very high	94.7	Very high	130 Å²	130	74 Å²	74	70%	0.695	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-7.3	177	-52.3	-60.3	0	0	0	113.8	F728 N753	F728-D730 PolarHBondContact O-N 2.94Å; D730-N753 WeakPolarHBondContact CB-ND2 3.12Å; D730-N753 PolarHBondContact O-ND2 3.21Å; D730-N753 VanDerWaalsContact O-ND2 3.13Å
731	V	96.7	Very high	94.7	Very high	3 Å²	3	73.4 Å²	73.4	2%	0.018	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	112.2	-176.4	-176.7	0	0	0	0	110.6	W689 W693 F728 G729 V733 I751 V752	W689-V731 HydrophobicContact CB-CB 3.96Å; W689-V731 HydrophobicContact CB-CG1 4.13Å; W689-V731 HydrophobicContact CB-CG2 4.25Å; W689-V731 HydrophobicContact CE3-CG1 4.37Å; W693-V731 HydrophobicContact CB-CG2 4.18Å; F728-V731 PolarHBondContact N-O 3.25Å; F728-V731 PolarHBondContact O-N 2.84Å; G729-V731 VanDerWaalsContact C-N 3.27Å; G729-V731 PolarHBondContact O-N 2.69Å; V731-V733 HydrophobicContact CG1-CG2 4.11Å; V731-I751 HydrophobicContact CG1-CB 4.22Å; V731-V752 CarbonylContact C-O 3.57Å; V731-V752 WeakPolarHBondContact CA-O 3.45Å
732	V	96.9	Very high	94.9	Very high	56 Å²	56	75.4 Å²	75.4	34%	0.339	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.5	175.8	-175	0	0	0	0	109.7	T725 A727 I751 V752	T725-V732 HydrophobicContact CG2-CG1 3.5Å; T725-V732 VanDerWaalsContact CG2-CG1 3.5Å; A727-V732 HydrophobicContact CB-CG2 4.24Å; V732-I751 WeakPolarHBondContact O-CA 3.43Å; V732-V752 HydrophobicContact CB-CG2 3.87Å; V732-V752 PolarHBondContact N-O 3.41Å; V732-V752 PolarHBondContact O-N 3.02Å; V732-V752 VanDerWaalsContact O-N 3.08Å
733	V	97.7	Very high	95	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.6	-176.3	-178.2	0	0	0	0	109.5	W689 P719 T725 R726 F728 V731 L749 I751	W689-V733 HydrophobicContact CD2-CG2 3.67Å; W689-V733 HydrophobicContact CE3-CG2 3.97Å; W689-V733 HydrophobicContact CG-CG2 4.16Å; W689-V733 HydrophobicContact CH2-CG1 4.06Å; W689-V733 HydrophobicContact CH2-CG2 4.18Å; W689-V733 HydrophobicContact CZ2-CG1 3.87Å; W689-V733 HydrophobicContact CZ2-CG2 3.87Å; W689-V733 HydrophobicContact CZ3-CG2 4.22Å; P719-V733 HydrophobicContact CG-CG1 4.45Å; P719-V733 WeakPolarHBondContact CG-O 3.18Å; T725-V733 CarbonylContact C-O 3.55Å; T725-V733 VanDerWaalsContact CA-O 3.3Å; T725-V733 WeakPolarHBondContact CA-O 3.38Å; R726-V733 PolarHBondContact N-O 3Å; R726-V733 PolarHBondContact O-N 3.41Å; F728-V733 HydrophobicContact CD2-CB 4.08Å; F728-V733 HydrophobicContact CD2-CG2 3.64Å; F728-V733 HydrophobicContact CE2-CB 4.04Å; F728-V733 HydrophobicContact CE2-CG2 4.03Å; V731-V733 HydrophobicContact CG1-CG2 4.11Å; V733-L749 HydrophobicContact CG1-CB 4.44Å; V733-L749 HydrophobicContact CG1-CD2 3.77Å; V733-I751 HydrophobicContact CB-CG2 4.37Å; V733-I751 HydrophobicContact CG1-CG2 4.19Å; V733-I751 HydrophobicContact CG2-CG2 3.95Å
734	K	96.9	Very high	95.2	Very high	101 Å²	101	75.9 Å²	75.9	44%	0.439	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.2	176.6	172.7	163.4	-176.7	168.5	0	111.3	G724 T725 N736 L749 N750	G724-K734 WeakPolarHBondContact O-CA 3.04Å; T725-K734 HydrophobicContact CG2-CB 4.2Å; T725-K734 WeakPolarHBondContact OG1-CB 3.37Å; T725-K734 WeakPolarHBondContact OG1-CG 3.27Å; K734-N736 WeakPolarHBondContact CE-OD1 3.29Å; K734-N736 PolarHBondContact O-ND2 2.9Å; K734-L749 CarbonylContact O-C 3.36Å; K734-L749 WeakPolarHBondContact O-CA 3.23Å; K734-N750 PolarHBondContact N-O 3Å; K734-N750 PolarHBondContact O-N 2.76Å
735	I	97.1	Very high	95.3	Very high	6 Å²	6	78.6 Å²	78.6	3%	0.031	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132	170.9	-166.7	167.2	0	0	0	110.2	P719 M721 G724 H738 Q747 L749	P719-I735 HydrophobicContact CB-CG2 4.44Å; P719-I735 HydrophobicContact CG-CB 4.01Å; P719-I735 HydrophobicContact CG-CG2 3.92Å; M721-I735 HydrophobicContact CE-CG2 4.45Å; M721-I735 HydrophobicContact CG-CD1 4.43Å; M721-I735 HydrophobicContact SD-CB 4.34Å; M721-I735 HydrophobicContact SD-CD1 3.8Å; M721-I735 HydrophobicContact SD-CG1 3.75Å; M721-I735 HydrophobicContact SD-CG2 3.76Å; G724-I735 PolarHBondContact O-N 2.65Å; I735-H738 HydrophobicContact CD1-CB 4.11Å; I735-Q747 HydrophobicContact CD1-CB 4.27Å; I735-Q747 HydrophobicContact CD1-CG 4.01Å; I735-L749 HydrophobicContact CB-CD2 4.01Å; I735-L749 HydrophobicContact CG1-CD2 4.2Å
736	N	94.1	Very high	95.4	Very high	80 Å²	80	79.5 Å²	79.5	43%	0.428	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-26.6	-177.5	-58.3	-78.6	0	0	0	112.7	K734 K748 N750	K734-N736 WeakPolarHBondContact CE-OD1 3.29Å; K734-N736 PolarHBondContact O-ND2 2.9Å; N736-K748 PolarHBondContact N-O 2.78Å; N736-N750 WeakPolarHBondContact ND2-CB 3.49Å
737	Q	94.9	Very high	95.4	Very high	105 Å²	105	78.3 Å²	78.3	49%	0.491	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	142	174.3	-59.8	-172.3	-20.6	0	0	109.8	Q747 K748	Q737-Q747 CarbonylContact O-C 3.59Å; Q737-Q747 WeakPolarHBondContact O-CA 3.19Å; Q737-K748 HydrophobicContact CB-CB 4.04Å; Q737-K748 HydrophobicContact CB-CD 4.39Å; Q737-K748 HydrophobicContact CB-CG 4.25Å; Q737-K748 HydrophobicContact CG-CB 4.48Å; Q737-K748 HydrophobicContact CG-CD 4.32Å; Q737-K748 PolarHBondContact N-O 3.01Å; Q737-K748 PolarHBondContact O-N 3.08Å; Q737-K748 VanDerWaalsContact OE1-CD 3.3Å; Q737-K748 VanDerWaalsContact OE1-CE 3.24Å
738	H	95.8	Very high	95.5	Very high	81 Å²	81	80.9 Å²	80.9	38%	0.375	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	98.1	174.9	176.1	-79.1	0	0	0	109.3	M721 I735 I745	M721-H738 HydrophobicContact CG-CB 3.62Å; M721-H738 HydrophobicContact SD-CB 3.66Å; I735-H738 HydrophobicContact CD1-CB 4.11Å; H738-I745 WeakPolarHBondContact NE2-CG2 3.11Å
739	K	95.6	Very high	95.6	Very high	137 Å²	137	83.2 Å²	83.2	60%	0.596	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	107.1	-179.6	-177.4	179.6	179.1	178.6	0	110.5	I746	K739-I746 HydrophobicContact CB-CB 4.46Å; K739-I746 PolarHBondContact N-O 3.21Å; K739-I746 PolarHBondContact O-N 3.44Å
740	R	94.8	Very high	95.8	Very high	194 Å²	194	85.6 Å²	85.6	73%	0.732	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.6	171.4	-170.7	167.6	-168.4	129.9	1.1	110.2	I745	R740-I745 HydrophobicContact CB-CG1 4.47Å; R740-I745 HydrophobicContact CG-CG1 4.18Å
741	C	94.3	Very high	95.9	Very high	25 Å²	25	81.2 Å²	81.2	17%	0.169	39%	0.394	C	S	.	.			trans	-103.8	176.8	166.4	-59.5	0	0	0	0	108.5	Y744	C741-Y744 CarbonylContact C-O 3.53Å; C741-Y744 WeakPolarHBondContact CA-O 3.31Å; C741-Y744 HydrophobicContact CB-CD2 4.11Å; C741-Y744 HydrophobicContact CB-CE1 4.31Å; C741-Y744 HydrophobicContact CB-CE2 3.88Å; C741-Y744 HydrophobicContact CB-CG 4.42Å; C741-Y744 WeakPolarHBondContact CB-O 3.36Å; C741-Y744 PolarHBondContact N-O 2.58Å
742	P	93.2	Very high	95.8	Very high	126 Å²	126	84.7 Å²	84.7	82%	0.818	42%	0.415	S	S	*	.	S	Bend	trans	-59.6	-48.7	-178.8	-25.6	35.9	0	0	0	113.1
743	D	93.6	Very high	95.2	Very high	147 Å²	147	88.1 Å²	88.1	79%	0.786	43%	0.431	S	S	*	.	S	Bend	trans	-101.1	-16.8	-171.3	-44.9	-81	0	0	0	114.1
744	Y	95.5	Very high	95.1	Very high	139 Å²	139	92.5 Å²	92.5	55%	0.545	45%	0.453	S	S	.	.			trans	-151.4	168	-173.4	60.6	-93.5	0	0	0	112.9	C741 I746	C741-Y744 CarbonylContact C-O 3.53Å; C741-Y744 WeakPolarHBondContact CA-O 3.31Å; C741-Y744 HydrophobicContact CB-CD2 4.11Å; C741-Y744 HydrophobicContact CB-CE1 4.31Å; C741-Y744 HydrophobicContact CB-CE2 3.88Å; C741-Y744 HydrophobicContact CB-CG 4.42Å; C741-Y744 WeakPolarHBondContact CB-O 3.36Å; C741-Y744 PolarHBondContact N-O 2.58Å; Y744-I746 HydrophobicContact CD2-CG1 4.04Å; Y744-I746 HydrophobicContact CE2-CD1 4Å; Y744-I746 HydrophobicContact CE2-CG1 3.81Å
745	I	96.1	Very high	95	Very high	75 Å²	75	92.1 Å²	92.1	39%	0.385	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.5	177.3	-59	177.5	0	0	0	108.8	H738 R740 Q747	H738-I745 WeakPolarHBondContact NE2-CG2 3.11Å; R740-I745 HydrophobicContact CB-CG1 4.47Å; R740-I745 HydrophobicContact CG-CG1 4.18Å; I745-Q747 HydrophobicContact CG2-CG 4.14Å
746	I	97.3	Very high	94.9	Very high	80 Å²	80	96.8 Å²	96.8	41%	0.41	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	115.9	168.9	-54.8	177.4	0	0	0	108.1	K739 Y744	K739-I746 HydrophobicContact CB-CB 4.46Å; K739-I746 PolarHBondContact N-O 3.21Å; K739-I746 PolarHBondContact O-N 3.44Å; Y744-I746 HydrophobicContact CD2-CG1 4.04Å; Y744-I746 HydrophobicContact CE2-CD1 4Å; Y744-I746 HydrophobicContact CE2-CG1 3.81Å
747	Q	96.8	Very high	95	Very high	46 Å²	46	97.8 Å²	97.8	22%	0.215	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	147.2	167.3	-62.2	-176.8	-6.8	0	0	110.1	W718 I735 Q737 I745 L749	W718-Q747 VanDerWaalsContact CD1-NE2 3.27Å; I735-Q747 HydrophobicContact CD1-CB 4.27Å; I735-Q747 HydrophobicContact CD1-CG 4.01Å; Q737-Q747 CarbonylContact O-C 3.59Å; Q737-Q747 WeakPolarHBondContact O-CA 3.19Å; I745-Q747 HydrophobicContact CG2-CG 4.14Å; Q747-L749 HydrophobicContact CB-CD1 4.43Å; Q747-L749 HydrophobicContact CB-CG 4.29Å
748	K	96.9	Very high	95	Very high	116 Å²	116	97.4 Å²	97.4	50%	0.504	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	108.9	162.6	-69.1	-170.1	-172.7	156.5	0	109.3	N736 Q737	N736-K748 PolarHBondContact N-O 2.78Å; Q737-K748 HydrophobicContact CB-CB 4.04Å; Q737-K748 HydrophobicContact CB-CD 4.39Å; Q737-K748 HydrophobicContact CB-CG 4.25Å; Q737-K748 HydrophobicContact CG-CB 4.48Å; Q737-K748 HydrophobicContact CG-CD 4.32Å; Q737-K748 PolarHBondContact N-O 3.01Å; Q737-K748 PolarHBondContact O-N 3.08Å; Q737-K748 VanDerWaalsContact OE1-CD 3.3Å; Q737-K748 VanDerWaalsContact OE1-CE 3.24Å
749	L	97.1	Very high	94.9	Very high	57 Å²	57	98.5 Å²	98.5	30%	0.298	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	143.2	179.9	-60.4	154.8	0	0	0	108.1	W689 W718 V733 K734 I735 Q747	W689-L749 HydrophobicContact CH2-CD1 4.16Å; W718-L749 HydrophobicContact CB-CD2 4.28Å; V733-L749 HydrophobicContact CG1-CB 4.44Å; V733-L749 HydrophobicContact CG1-CD2 3.77Å; K734-L749 CarbonylContact O-C 3.36Å; K734-L749 WeakPolarHBondContact O-CA 3.23Å; I735-L749 HydrophobicContact CB-CD2 4.01Å; I735-L749 HydrophobicContact CG1-CD2 4.2Å; Q747-L749 HydrophobicContact CB-CD1 4.43Å; Q747-L749 HydrophobicContact CB-CG 4.29Å
750	N	96.6	Very high	94.9	Very high	93 Å²	93	95.7 Å²	95.7	50%	0.497	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.1	165.8	-175.3	24.5	0	0	0	107.1	K734 N736	K734-N750 PolarHBondContact N-O 3Å; K734-N750 PolarHBondContact O-N 2.76Å; N736-N750 WeakPolarHBondContact ND2-CB 3.49Å
751	I	96.3	Very high	94.9	Very high	39 Å²	39	88.2 Å²	88.2	20%	0.2	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.4	-175.8	65.1	177.5	0	0	0	110.5	W689 I692 W693 V731 V732 V733	W689-I751 HydrophobicContact CE3-CG2 4.19Å; W689-I751 HydrophobicContact CH2-CG2 4.21Å; W689-I751 HydrophobicContact CZ3-CD1 4.3Å; W689-I751 HydrophobicContact CZ3-CG2 3.66Å; I692-I751 HydrophobicContact CG2-CD1 3.96Å; W693-I751 HydrophobicContact CE3-CD1 4.01Å; W693-I751 HydrophobicContact CE3-CG1 4.07Å; W693-I751 HydrophobicContact CZ3-CG1 4.19Å; V731-I751 HydrophobicContact CG1-CB 4.22Å; V732-I751 WeakPolarHBondContact O-CA 3.43Å; V733-I751 HydrophobicContact CB-CG2 4.37Å; V733-I751 HydrophobicContact CG1-CG2 4.19Å; V733-I751 HydrophobicContact CG2-CG2 3.95Å
752	V	93.6	Very high	94.9	Very high	76 Å²	76	93.4 Å²	93.4	46%	0.461	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.2	171.5	-61.9	0	0	0	0	109.6	V731 V732	V731-V752 CarbonylContact C-O 3.57Å; V731-V752 WeakPolarHBondContact CA-O 3.45Å; V732-V752 HydrophobicContact CB-CG2 3.87Å; V732-V752 PolarHBondContact N-O 3.41Å; V732-V752 PolarHBondContact O-N 3.02Å; V732-V752 VanDerWaalsContact O-N 3.08Å
753	N	86	Confident	95.1	Very high	127 Å²	127	90.5 Å²	90.5	68%	0.679	45%	0.453	S	S	*	.			trans	-129	0	171.2	-172.1	-113.6	0	0	0	105.8	W693 D730	W693-N753 HydrophobicContact CD2-CB 3.82Å; W693-N753 HydrophobicContact CE3-CB 4.35Å; W693-N753 HydrophobicContact CG-CB 4.29Å; W693-N753 HydrophobicContact CH2-CB 4.06Å; W693-N753 HydrophobicContact CZ2-CB 3.48Å; W693-N753 VanDerWaalsContact CZ2-CB 3.48Å; W693-N753 HydrophobicContact CZ3-CB 4.46Å; D730-N753 WeakPolarHBondContact CB-ND2 3.12Å; D730-N753 PolarHBondContact O-ND2 3.21Å; D730-N753 VanDerWaalsContact O-ND2 3.13Å

Retrieved 753 of 753 residues in 410.2 ms (Link to these results)

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