A0A087YEA2_POEFO Loading...

RNA helicase

RNA helicase that acts as a sensor of the transcriptional status of both RNA polymerase (Pol) I and II: promotes ribosomal RNA (rRNA) processing and transcription from polymerase II (Pol II). Binds various RNAs, such as rRNAs, snoRNAs, 7SK and, at lower extent, mRNAs. In the nucleolus, localizes to rDNA locus, where it directly binds rRNAs and snoRNAs, and promotes rRNA transcription, processing and modification. Required for rRNA 2'-O-methylation, possibly by promoting the recruitment of late-acting snoRNAs SNORD56 and SNORD58 with pre-ribosomal complexes. In the nucleoplasm, binds 7SK RNA and is recruited to the promoters of Pol II-transcribed genes: acts by facilitating the release of P-TEFb from inhibitory 7SK snRNP in a manner that is dependent on its helicase activity, thereby promoting transcription of its target genes. Required to prevent R-loop-associated DNA damage and transcription-associated genomic instability.

AlphaFold DB , UniProt , Accession A0A087YEA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 792 aa.

Structure Viewer

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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	33.5	Very low	27.3	Very low	248 Å²	248	148.4 Å²	148.4	100%	1.222	84%	0.836	S	S	*	*				0	140.4	0	-74.2	170.2	168.9	0	0	107.5
2	G	29.8	Very low	27.4	Very low	80 Å²	80	144.3 Å²	144.3	83%	0.825	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-77.3	155	-168.3	0	0	0	0	0	114.2
3	V	25.6	Very low	27.8	Very low	147 Å²	147	143.2 Å²	143.2	89%	0.891	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-76.4	132.2	160.7	175.8	0	0	0	0	107.6
4	A	26.8	Very low	27.5	Very low	94 Å²	94	144.5 Å²	144.5	78%	0.777	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-76.8	139.6	177.9	0	0	0	0	0	111.3
5	I	31.8	Very low	27.4	Very low	153 Å²	153	144.3 Å²	144.3	79%	0.785	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-75.4	143	176	-63.4	161.3	0	0	0	109.5	E7	I5-E7 HydrophobicContact CG2-CG 4.12Å
6	S	25.7	Very low	27.2	Very low	119 Å²	119	141.4 Å²	141.4	83%	0.832	83%	0.828	S	S	*	*			trans	-146.2	84.1	161.4	-174.1	0	0	0	0	110.5
7	E	27	Very low	27	Very low	146 Å²	146	139.3 Å²	139.3	68%	0.682	82%	0.821	S	S	*	*			trans	-58.2	150.5	159.5	-54.5	176.4	130	0	0	110.3	I5	I5-E7 HydrophobicContact CG2-CG 4.12Å
8	R	25	Very low	27	Very low	224 Å²	224	138.7 Å²	138.7	85%	0.845	81%	0.814	S	S	*	*				-177.9	149	100.4	-98.6	174.7	-176.6	-162.3	-2.4	114.1
9	S	24.4	Very low	26.9	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	81%	0.81	S	S	*	*			trans	-7.7	135.4	158.7	57.8	0	0	0	0	118.6
10	M	24.3	Very low	26.8	Very low	169 Å²	169	139 Å²	139	83%	0.833	81%	0.807	S	S	*	*				-167.1	155.1	104.1	-103.2	175.1	-173.9	0	0	112.8
11	N	26.5	Very low	26.7	Very low	155 Å²	155	136.7 Å²	136.7	83%	0.829	80%	0.799	S	S	*	*			trans	9.9	120.9	155.8	-52.6	-11.1	0	0	0	118.9
12	A	28.1	Very low	26.4	Very low	99 Å²	99	129.4 Å²	129.4	82%	0.818	77%	0.773	S	S	*	*			trans	-119.8	148.8	156	0	0	0	0	0	109.9
13	P	32.9	Very low	26.4	Very low	131 Å²	131	132.5 Å²	132.5	85%	0.851	77%	0.769	S	S	*	*			trans	-106.8	172.1	-153.6	3.9	19.8	0	0	0	116
14	L	23.6	Very low	26.6	Very low	161 Å²	161	135.1 Å²	135.1	84%	0.843	76%	0.763	S	S	*	*			trans	-80	176.1	166.5	-67.3	153.6	0	0	0	111.8
15	V	26.1	Very low	26.8	Very low	142 Å²	142	136.1 Å²	136.1	86%	0.861	76%	0.755	S	S	*	*			trans	75	143	162.5	-169.4	0	0	0	0	114.3
16	S	25	Very low	26.7	Very low	97 Å²	97	137.2 Å²	137.2	68%	0.678	75%	0.754	S	S	*	*			cis	-139.5	154.9	-9	43.2	0	0	0	0	108.3
17	C	23.8	Very low	26.9	Very low	106 Å²	106	141.1 Å²	141.1	72%	0.716	75%	0.751	S	S	*	*				53.8	109.5	69.9	-101.4	0	0	0	0	116
18	D	25.8	Very low	27	Very low	129 Å²	129	138.1 Å²	138.1	69%	0.69	75%	0.746	S	S	*	*				76.6	142.4	126.8	-90.7	-67.3	0	0	0	125.8
19	H	25.3	Very low	27.3	Very low	158 Å²	158	136.5 Å²	136.5	73%	0.731	75%	0.745	S	S	*	*			trans	81.1	145.1	139.8	-94	52.1	0	0	0	123.4
20	V	25.1	Very low	28.4	Very low	124 Å²	124	136.7 Å²	136.7	75%	0.752	74%	0.744	S	S	*	*			trans	74.1	140.7	145.2	164.4	0	0	0	0	118.6
21	S	25.2	Very low	28.7	Very low	91 Å²	91	134.3 Å²	134.3	64%	0.636	74%	0.744	S	S	*	*			cis	-173.7	162	-23.7	-87.8	0	0	0	0	110.1
22	S	27	Very low	28.8	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	74%	0.743	S	S	*	*			trans	66.3	172.2	161.6	-63.6	0	0	0	0	115
23	L	29.4	Very low	28.7	Very low	144 Å²	144	132.3 Å²	132.3	75%	0.754	74%	0.741	S	S	*	*			cis	-122.1	143	7.8	-94.6	89.2	0	0	0	110.8
24	R	30.6	Very low	29.4	Very low	203 Å²	203	131.3 Å²	131.3	77%	0.766	74%	0.735	S	S	*	*				64.9	143.3	73.1	-61.8	-174.4	177.5	-177.2	-1.7	113.9
25	L	31.2	Very low	29.6	Very low	114 Å²	114	133.9 Å²	133.9	60%	0.597	73%	0.733	S	S	*	*			cis	-151.6	162.6	-6	-145	76.5	0	0	0	109.1
26	F	28.1	Very low	29.7	Very low	177 Å²	177	134.4 Å²	134.4	78%	0.776	73%	0.73	S	S	*	*				160.9	159.7	101.5	-81.2	-62.1	0	0	0	108.4
27	R	29.8	Very low	29.8	Very low	200 Å²	200	134 Å²	134	76%	0.755	73%	0.733	S	S	*	*			cis	-174.3	137.7	-26.8	-157.8	-163.1	-173.6	178.9	1.2	110.2
28	S	30.3	Very low	30	Very low	83 Å²	83	134.9 Å²	134.9	58%	0.58	74%	0.739	S	S	*	*			trans	57.4	148.6	145.1	54	0	0	0	0	122
29	F	31.1	Very low	30.1	Very low	191 Å²	191	135.9 Å²	135.9	84%	0.838	75%	0.749	S	S	*	*			cis	-160.5	-158.1	3.1	-112.4	-35.4	0	0	0	109.8
30	P	47.8	Very low	30.2	Very low	100 Å²	100	136.8 Å²	136.8	65%	0.649	75%	0.754	S	S	*	*				-130.7	172.4	-90	37.1	-16	0	0	0	118.5
31	S	30.2	Very low	30.4	Very low	119 Å²	119	136.2 Å²	136.2	83%	0.832	75%	0.75	S	S	*	*			trans	70	162.6	150.6	76.9	0	0	0	0	118.9
32	A	27.9	Very low	30.7	Very low	99 Å²	99	140.4 Å²	140.4	82%	0.818	76%	0.759	S	S	*	*			cis	-148.5	178	6.6	0	0	0	0	0	113.1
33	C	26	Very low	30.7	Very low	114 Å²	114	138.8 Å²	138.8	77%	0.77	76%	0.758	S	S	*	*			trans	-113.4	161.9	171.1	-169.9	0	0	0	0	109.8
34	P	47.3	Very low	30.7	Very low	110 Å²	110	138.8 Å²	138.8	71%	0.714	76%	0.758	S	S	*	*				-159.4	147.3	105.5	39.4	-19.4	0	0	0	119.9
35	R	29.2	Very low	30.7	Very low	214 Å²	214	136 Å²	136	81%	0.808	75%	0.754	S	S	*	*				67	133.4	129.2	-73.3	177.8	163.5	-170.4	-4.4	125.4
36	L	28.5	Very low	30.7	Very low	153 Å²	153	139 Å²	139	80%	0.801	77%	0.765	S	S	*	*			trans	69.3	152.3	132.9	-69.3	168.7	0	0	0	119.3
37	A	27.1	Very low	30.7	Very low	88 Å²	88	133.7 Å²	133.7	73%	0.727	76%	0.76	S	S	*	*			cis	-152.5	171.9	-4.5	0	0	0	0	0	111.4
38	C	27.3	Very low	30.7	Very low	126 Å²	126	134.4 Å²	134.4	85%	0.851	76%	0.763	S	S	*	*			trans	-93	150.1	171.9	-58	0	0	0	0	113
39	V	28.1	Very low	30.6	Very low	150 Å²	150	137.7 Å²	137.7	91%	0.909	77%	0.769	S	S	*	*			trans	-135.8	160.5	154.8	-177.4	0	0	0	0	107.8
40	H	26.8	Very low	30.5	Very low	177 Å²	177	137 Å²	137	82%	0.819	77%	0.77	S	S	*	*			trans	-131.9	-169.1	-165.5	-144.7	70.7	0	0	0	111.2
41	V	30.1	Very low	30.9	Very low	112 Å²	112	137.6 Å²	137.6	68%	0.679	77%	0.774	S	S	*	*			trans	93.8	102.7	163.2	-170.9	0	0	0	0	118.2
42	E	30.7	Very low	30.8	Very low	178 Å²	178	137.7 Å²	137.7	83%	0.832	78%	0.775	S	S	*	*				43.4	151.9	124.8	-54.2	171.8	157.6	0	0	122.6
43	G	28.6	Very low	31	Very low	62 Å²	62	142.2 Å²	142.2	64%	0.639	78%	0.776	S	S	*	*			cis	159.9	-177.3	-4.1	0	0	0	0	0	114.3
44	L	29.3	Very low	31.1	Very low	145 Å²	145	144.3 Å²	144.3	76%	0.759	78%	0.778	S	S	*	*			trans	66.1	154.6	168	-70.4	81.3	0	0	0	117.7
45	Q	30.4	Very low	30.3	Very low	145 Å²	145	145.1 Å²	145.1	68%	0.678	78%	0.775	S	S	*	*			cis	-159.4	162.9	-23.3	-116.3	178.6	3.6	0	0	110.9
46	Q	31.3	Very low	30.3	Very low	176 Å²	176	143.4 Å²	143.4	82%	0.822	77%	0.774	S	S	*	*			trans	13	149	149.3	-59	167.4	10.7	0	0	121.2
47	G	27.9	Very low	30.3	Very low	66 Å²	66	143.7 Å²	143.7	68%	0.68	77%	0.771	S	S	*	*			cis	157.4	-172.6	4.3	0	0	0	0	0	111.9
48	R	29.2	Very low	30.4	Very low	215 Å²	215	145.1 Å²	145.1	81%	0.811	77%	0.771	S	S	*	*			trans	72.7	155.9	176.9	-58.7	170.5	175.2	-106.4	7.2	116.5
49	E	27.6	Very low	30.5	Very low	151 Å²	151	148.1 Å²	148.1	71%	0.706	77%	0.772	S	S	*	*			cis	-154.9	168.3	-17.6	-109.9	156.3	163.8	0	0	108.8
50	M	28.6	Very low	30.8	Very low	177 Å²	177	150 Å²	150	87%	0.872	77%	0.771	S	S	*	*			trans	-112.5	-159.7	174.2	-43	-169.3	-61.5	0	0	109.9
51	P	57.6	Low	30.9	Very low	113 Å²	113	151 Å²	151	73%	0.734	78%	0.776	S	S	*	*			cis	-134.2	178.2	-25.2	38.6	-22.5	0	0	0	114.3
52	S	28.5	Very low	30.9	Very low	120 Å²	120	151.8 Å²	151.8	84%	0.839	78%	0.781	S	S	*	*			trans	-155	154.1	146.2	57	0	0	0	0	112.7
53	K	31	Very low	30.8	Very low	194 Å²	194	149.9 Å²	149.9	84%	0.843	78%	0.782	S	S	*	*			trans	-117.6	-171.8	178.6	-69.4	-177.4	174.9	-178.6	0	109.9
54	I	29.3	Very low	31.1	Very low	158 Å²	158	155.5 Å²	155.5	81%	0.81	79%	0.792	S	S	*	*			trans	107.5	142	157.8	-61.2	161.9	0	0	0	113.5
55	I	30.5	Very low	31.2	Very low	128 Å²	128	158.8 Å²	158.8	66%	0.656	80%	0.8	S	S	*	*			cis	-174.3	136.1	-41.4	-115.1	164.7	0	0	0	107.8
56	F	29.2	Very low	31.3	Very low	177 Å²	177	158.6 Å²	158.6	78%	0.776	80%	0.803	S	S	*	*			trans	58.9	175.2	165.1	-74.9	-124.6	0	0	0	114.4
57	E	27.8	Very low	31.4	Very low	160 Å²	160	157.4 Å²	157.4	75%	0.748	80%	0.8	S	S	*	*			cis	-143.2	-169	9.6	-150.7	133.4	-120.4	0	0	112.2
58	T	28.3	Very low	31.5	Very low	118 Å²	118	161.3 Å²	161.3	72%	0.724	81%	0.805	S	S	*	*			trans	-73	-179.6	-172.2	45.5	0	0	0	0	113.7
59	E	29.3	Very low	31.5	Very low	188 Å²	188	156 Å²	156	88%	0.879	80%	0.797	S	S	*	*			cis	-156.6	-178.4	41.7	-70.1	-177	131	0	0	113.7
60	E	34.5	Very low	31.6	Very low	191 Å²	191	155.7 Å²	155.7	89%	0.893	81%	0.805	S	S	*	*			trans	-93.8	155.4	173.9	-53.1	176.5	129.8	0	0	111.5
61	E	28.8	Very low	31.7	Very low	196 Å²	196	151.2 Å²	151.2	92%	0.916	80%	0.796	S	S	*	*			trans	-152.3	149.6	147.7	-143.4	175.7	-154.7	0	0	112.4
62	T	29.8	Very low	30.3	Very low	129 Å²	129	155.2 Å²	155.2	79%	0.791	81%	0.805	S	S	*	*			trans	-121	145.1	-174.7	52.5	0	0	0	0	111.7
63	T	29.1	Very low	30.4	Very low	138 Å²	138	153.6 Å²	153.6	85%	0.847	80%	0.799	S	S	*	*			trans	-141.3	112.8	163.9	59.3	0	0	0	0	111.6
64	E	36.2	Very low	30.3	Very low	181 Å²	181	151.7 Å²	151.7	85%	0.846	79%	0.793	S	S	*	*			trans	-83	162.8	163.7	-64.3	178.2	128.7	0	0	110.9
65	K	31.2	Very low	30.3	Very low	214 Å²	214	148.7 Å²	148.7	93%	0.93	78%	0.782	S	S	*	*			trans	-157.4	139.9	155.3	-118	169.6	-172.3	174.4	0	111.6
66	D	32.1	Very low	30.2	Very low	140 Å²	140	149.5 Å²	149.5	75%	0.749	78%	0.781	S	S	*	*			trans	-100.3	162.7	-161.6	-100.1	-51.4	0	0	0	115.7
67	M	32.3	Very low	30.2	Very low	151 Å²	151	148.9 Å²	148.9	74%	0.744	78%	0.778	S	S	*	*			trans	51.6	128.3	148.4	-68.8	173	56.3	0	0	120.8
68	D	29.7	Very low	30.3	Very low	148 Å²	148	146.9 Å²	146.9	79%	0.791	78%	0.776	S	S	*	*				-157.5	179.4	102.1	-135.1	-30.3	0	0	0	112.9
69	T	30.2	Very low	30.3	Very low	105 Å²	105	149.3 Å²	149.3	64%	0.644	78%	0.777	S	S	*	*			trans	-142.7	171.1	-154.8	54.4	0	0	0	0	117.7
70	V	30.4	Very low	30.3	Very low	144 Å²	144	147.2 Å²	147.2	87%	0.873	77%	0.772	S	S	*	*			trans	91.8	156.9	161.1	-167.4	0	0	0	0	118.8
71	A	29.5	Very low	30	Very low	83 Å²	83	146.7 Å²	146.7	69%	0.686	77%	0.766	S	S	*	*			trans	-80.5	-164.5	-171.9	0	0	0	0	0	113
72	E	28.2	Very low	30	Very low	197 Å²	197	143 Å²	143	92%	0.921	76%	0.758	S	S	*	*			cis	-157.7	-170.1	28.4	-153.3	160.9	-136.9	0	0	112.4
73	A	31.1	Very low	29.8	Very low	85 Å²	85	145.1 Å²	145.1	70%	0.702	76%	0.756	S	S	*	*			trans	-119.8	167.5	-176.3	0	0	0	0	0	112.3
74	E	30	Very low	29.6	Very low	155 Å²	155	146.3 Å²	146.3	72%	0.724	75%	0.752	S	S	*	*			trans	-173.3	119.4	147.4	-95.4	-101.6	142.7	0	0	109.9
75	T	28.3	Very low	29	Very low	94 Å²	94	141 Å²	141	58%	0.577	75%	0.745	S	S	*	*				72.7	156.9	100.4	81.4	0	0	0	0	116.3
76	F	28.4	Very low	28.7	Very low	145 Å²	145	140 Å²	140	64%	0.636	74%	0.741	S	S	*	*			cis	-147.5	-145.5	14.8	-119	-56.1	0	0	0	107.8
77	K	28.5	Very low	28.3	Very low	165 Å²	165	142.2 Å²	142.2	72%	0.717	74%	0.744	S	S	*	*			cis	-168.8	160.7	-9.7	-112.7	143.7	-154.1	148.3	0	103.5
78	V	30.3	Very low	27.9	Very low	118 Å²	118	141.6 Å²	141.6	72%	0.715	74%	0.743	S	S	*	*			cis	-178.9	163.5	-11.9	88.1	0	0	0	0	106.1
79	K	29.3	Very low	27.7	Very low	169 Å²	169	143.5 Å²	143.5	74%	0.735	74%	0.744	S	S	*	*			cis	-168.6	121.4	-2	-150	169.9	-153.3	171.9	0	112.5
80	N	28.8	Very low	27.5	Very low	143 Å²	143	148 Å²	148	77%	0.765	76%	0.755	S	S	*	*			trans	69.5	166.7	152.1	-62.6	-9.1	0	0	0	120.4
81	K	28.3	Very low	27.1	Very low	181 Å²	181	149.5 Å²	149.5	79%	0.787	75%	0.749	S	S	*	*			cis	-159.4	132	21	-147.9	174.7	-176.2	-177.9	0	116.4
82	T	27.8	Very low	26.9	Very low	119 Å²	119	153.2 Å²	153.2	73%	0.73	75%	0.753	S	S	*	*			trans	56.8	124.7	145.7	52.9	0	0	0	0	126.3
83	K	27.2	Very low	26.9	Very low	172 Å²	172	152.7 Å²	152.7	75%	0.748	75%	0.75	S	S	*	*				113.9	137.1	115.2	-105	-164.8	166.2	-146.7	0	122.7
84	E	24.1	Very low	26.6	Very low	163 Å²	163	159.8 Å²	159.8	76%	0.762	76%	0.759	S	S	*	*			trans	66	161.2	157.7	-69	-177.7	-147.3	0	0	120.1
85	G	24.5	Very low	26.4	Very low	69 Å²	69	156.2 Å²	156.2	71%	0.711	75%	0.751	S	S	*	*			trans	-179.6	168.4	-175.6	0	0	0	0	0	114.1
86	K	24.3	Very low	26.4	Very low	195 Å²	195	158.9 Å²	158.9	85%	0.848	76%	0.757	S	S	*	*			trans	-171.3	140.9	176.5	-107.5	154.2	-173.4	164.4	0	113.8
87	K	23.6	Very low	26.3	Very low	185 Å²	185	159.5 Å²	159.5	80%	0.804	76%	0.762	S	S	*	*			trans	66.4	133.9	139.6	-78.1	-177.8	166.8	-171.7	0	123.8
88	L	24.6	Very low	26.2	Very low	138 Å²	138	159.8 Å²	159.8	72%	0.723	77%	0.766	S	S	*	*			trans	92.3	107	135.5	-102.3	85.4	0	0	0	123.8
89	K	24.8	Very low	26.1	Very low	188 Å²	188	162.5 Å²	162.5	82%	0.817	77%	0.771	S	S	*	*				45.4	106.8	123.5	-70	-174.5	176.2	-179	0	121.9
90	K	25.8	Very low	26	Very low	199 Å²	199	162.9 Å²	162.9	87%	0.865	78%	0.775	S	S	*	*				58.2	110.3	110.2	-172.6	-170.9	-179.1	179.7	0	119.9
91	K	22.7	Very low	26.3	Very low	176 Å²	176	163.9 Å²	163.9	77%	0.765	78%	0.775	S	S	*	*			trans	-161.9	141.1	130.4	-122.7	-171.6	175.3	-142.7	0	114.2
92	Q	25.5	Very low	27.1	Very low	162 Å²	162	159.9 Å²	159.9	76%	0.757	77%	0.767	S	S	*	*			trans	42.9	148.1	146.1	-73.4	171.9	-67.1	0	0	123.2
93	Q	26.4	Very low	27	Very low	186 Å²	186	161.1 Å²	161.1	87%	0.869	77%	0.77	S	S	*	*			trans	-153.2	153.3	166.9	-157.8	177	23.6	0	0	109.6
94	R	25.3	Very low	26.9	Very low	234 Å²	234	158.1 Å²	158.1	88%	0.883	77%	0.769	S	S	*	*			trans	64.8	149	-175.6	-68.9	-175.9	170.9	176.9	-4.4	116.7
95	S	26.2	Very low	27	Very low	80 Å²	80	159 Å²	159	56%	0.559	77%	0.773	S	S	*	*			cis	179.5	170.1	-38	53.7	0	0	0	0	106.6
96	E	27.4	Very low	27.9	Very low	149 Å²	149	160.3 Å²	160.3	70%	0.696	77%	0.769	S	S	*	*			cis	-141.5	165.7	2.3	-119.5	100.4	-149.8	0	0	107.8
97	E	27.7	Very low	28.6	Very low	158 Å²	158	156.5 Å²	156.5	74%	0.738	77%	0.765	S	S	*	*			trans	39.8	116.7	148.7	-71.2	156.7	-172.5	0	0	121.5
98	Q	25.6	Very low	28.9	Very low	172 Å²	172	151.9 Å²	151.9	80%	0.804	76%	0.761	S	S	*	*				79.7	144.6	86.5	-73.9	175.9	-15.1	0	0	113.6
99	E	27.5	Very low	29.7	Very low	175 Å²	175	150 Å²	150	82%	0.818	76%	0.756	S	S	*	*			cis	-133	173.6	20.3	-63.8	172	129.2	0	0	114.5
100	E	28.4	Very low	29.9	Very low	177 Å²	177	149.2 Å²	149.2	83%	0.827	75%	0.753	S	S	*	*			trans	1.5	156.7	148.7	-65.2	-177.3	179.2	0	0	121.4
101	E	34.8	Very low	29.9	Very low	163 Å²	163	147.4 Å²	147.4	76%	0.762	75%	0.746	S	S	*	*			cis	-157.7	-169.9	3	-113	-83	97.5	0	0	107.7
102	P	44.9	Very low	30.1	Very low	97 Å²	97	147 Å²	147	63%	0.63	74%	0.744	S	S	*	*			trans	-123.6	-178.4	-133.8	41.4	-24.4	0	0	0	118.7
103	D	25.4	Very low	30.1	Very low	146 Å²	146	147.3 Å²	147.3	78%	0.781	74%	0.743	S	S	*	*				121.8	151.2	129.5	-147.4	4.8	0	0	0	119.2
104	C	26.1	Very low	30	Very low	108 Å²	108	147 Å²	147	73%	0.73	74%	0.738	S	S	*	*			trans	69.6	95.2	163.8	-75.1	0	0	0	0	121.1
105	E	25.4	Very low	30	Very low	181 Å²	181	142.2 Å²	142.2	85%	0.846	72%	0.724	S	S	*	*			trans	-58.7	174.4	137.8	-117.2	-170.3	-154.4	0	0	111.6
106	P	43.6	Very low	30.1	Very low	98 Å²	98	143.5 Å²	143.5	64%	0.636	73%	0.725	S	S	*	*			cis	-135.5	-140.3	-7	38.4	-15.8	0	0	0	110.7
107	P	39.5	Very low	30.1	Very low	115 Å²	115	144.2 Å²	144.2	75%	0.747	73%	0.725	S	S	*	*				-116.2	170.8	-52.4	24.5	-5.4	0	0	0	113.8
108	A	30	Very low	30	Very low	87 Å²	87	144.1 Å²	144.1	72%	0.719	73%	0.729	S	S	*	*			trans	-63.5	167.4	162.6	0	0	0	0	0	111.7
109	P	40.5	Very low	30.1	Very low	98 Å²	98	139.7 Å²	139.7	64%	0.636	72%	0.722	S	S	*	*			cis	-165.9	-172.2	45.3	46.7	-23.4	0	0	0	121.3
110	K	28.1	Very low	30.1	Very low	172 Å²	172	135.6 Å²	135.6	75%	0.748	72%	0.718	S	S	*	*			trans	84.6	124.2	142.3	-84	162.7	-154.5	156.7	0	122.4
111	K	26.9	Very low	30	Very low	162 Å²	162	133 Å²	133	70%	0.704	71%	0.71	S	S	*	*				97.3	112.7	128.1	-74.7	167.9	-177.8	172.6	0	122.5
112	K	25.9	Very low	29.7	Very low	168 Å²	168	133.6 Å²	133.6	73%	0.73	71%	0.712	S	S	*	*				80.5	128.1	117.2	-73.8	-177.2	177	-178.5	0	122.7
113	K	26	Very low	28.9	Very low	168 Å²	168	132.6 Å²	132.6	73%	0.73	71%	0.712	S	S	*	*				87.2	130.1	127.5	-87.2	-176.1	173.1	-176.6	0	120.7
114	K	25.5	Very low	29	Very low	179 Å²	179	133.8 Å²	133.8	78%	0.778	72%	0.718	S	S	*	*			trans	70.8	156.9	140.5	-76.9	-160.2	170.4	-171.9	0	117.3
115	K	25.1	Very low	29	Very low	134 Å²	134	131.7 Å²	131.7	58%	0.583	72%	0.715	S	S	*	*			cis	-179.1	152	-24	-171.2	-170.4	177.5	-70.7	0	106.5
116	D	27.1	Very low	29	Very low	107 Å²	107	131.4 Å²	131.4	57%	0.572	71%	0.714	S	S	*	*			trans	66.5	160.2	168.7	-61.4	-35.5	0	0	0	113.5
117	K	27.5	Very low	28.2	Very low	164 Å²	164	133.9 Å²	133.9	71%	0.713	72%	0.72	S	S	*	*			cis	-167	156.1	-15.3	-117.8	177.7	178.3	-173.6	0	109.5
118	L	27	Very low	27.6	Very low	156 Å²	156	136.4 Å²	136.4	82%	0.817	72%	0.722	S	S	*	*			trans	62.3	173.9	152.5	-62.7	164.8	0	0	0	116.2
119	A	26.6	Very low	27.5	Very low	79 Å²	79	141.4 Å²	141.4	65%	0.653	73%	0.73	S	S	*	*			cis	-170.7	160.4	-47.6	0	0	0	0	0	108.8
120	A	27.2	Very low	27	Very low	88 Å²	88	141 Å²	141	73%	0.727	74%	0.735	S	S	*	*			trans	63.3	162.6	174.9	0	0	0	0	0	114.8
121	D	27	Very low	26.9	Very low	124 Å²	124	136.8 Å²	136.8	66%	0.663	73%	0.732	S	S	*	*			cis	-133.7	160.3	-4.2	-108.5	-31.8	0	0	0	108.9
122	Q	28.8	Very low	27	Very low	175 Å²	175	135.4 Å²	135.4	82%	0.818	73%	0.732	S	S	*	*				43.7	139.7	81.7	-55.9	-173.8	88.4	0	0	115.5
123	A	28	Very low	27.1	Very low	76 Å²	76	134.3 Å²	134.3	63%	0.628	73%	0.734	S	S	*	*			cis	-170.1	163.9	-19.9	0	0	0	0	0	110.6
124	N	26.7	Very low	27.3	Very low	170 Å²	170	133.6 Å²	133.6	91%	0.909	74%	0.738	S	S	*	*			trans	69.9	156.5	155.6	-61.3	-12.3	0	0	0	121.9
125	G	26	Very low	27.3	Very low	64 Å²	64	128 Å²	128	66%	0.66	73%	0.731	S	S	*	*			trans	114.2	107.4	178.1	0	0	0	0	0	111.7
126	H	27.2	Very low	27.4	Very low	176 Å²	176	128.4 Å²	128.4	82%	0.815	74%	0.74	S	S	*	*				54.9	134.9	59.2	-68.5	-78.3	0	0	0	112.5
127	I	26.1	Very low	27.3	Very low	149 Å²	149	127.9 Å²	127.9	76%	0.764	74%	0.744	S	S	*	*			cis	-138.2	139.7	22.2	-60.9	171	0	0	0	106.9
128	E	27	Very low	27.2	Very low	169 Å²	169	123.1 Å²	123.1	79%	0.79	74%	0.742	S	S	*	*				76.6	158.5	62.6	-126.6	172.1	-126.2	0	0	116
129	E	26.8	Very low	27.2	Very low	192 Å²	192	122.5 Å²	122.5	90%	0.897	74%	0.739	S	S	*	*			trans	83.8	144.2	-169.3	-61.8	-159.5	132.1	0	0	118.5
130	A	30.2	Very low	27	Very low	88 Å²	88	124.4 Å²	124.4	73%	0.727	74%	0.743	S	S	*	*			cis	-167.5	178.8	-20.8	0	0	0	0	0	111.5
131	A	27.1	Very low	26.9	Very low	84 Å²	84	128.6 Å²	128.6	69%	0.694	75%	0.747	S	S	*	*			trans	71.3	142	174.5	0	0	0	0	0	117.7
132	D	27.5	Very low	26.6	Very low	133 Å²	133	127.8 Å²	127.8	71%	0.711	75%	0.751	S	S	*	*			cis	-153.5	136.8	-13.8	-104.8	-25.4	0	0	0	108.5
133	L	29.9	Very low	27	Very low	145 Å²	145	124 Å²	124	76%	0.759	74%	0.742	S	S	*	*				56.1	130.4	92.8	-65	-173.2	0	0	0	115.7
134	N	28.5	Very low	26.7	Very low	153 Å²	153	128.8 Å²	128.8	82%	0.818	75%	0.749	S	S	*	*			cis	-165.1	160.7	-8.2	-160.8	3.5	0	0	0	112.9
135	G	26.7	Very low	26.4	Very low	62 Å²	62	129.6 Å²	129.6	64%	0.639	74%	0.744	S	S	*	*			trans	79.2	151.1	159.1	0	0	0	0	0	117.6
136	N	26.5	Very low	26.2	Very low	143 Å²	143	133.5 Å²	133.5	77%	0.765	75%	0.748	S	S	*	*			cis	-157	133.1	-14	-150.6	42	0	0	0	106.4
137	S	25.4	Very low	25.9	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	75%	0.747	S	S	*	*				48.9	136.3	73.4	115.8	0	0	0	0	114.6
138	G	25.6	Very low	25.6	Very low	64 Å²	64	135.6 Å²	135.6	66%	0.66	75%	0.75	S	S	*	*			cis	-139.8	-148.3	2.4	0	0	0	0	0	112.5
139	D	25.5	Very low	25.3	Very low	143 Å²	143	136.9 Å²	136.9	77%	0.765	75%	0.752	S	S	*	*			cis	-162.3	155.2	4.6	-112.5	-29.1	0	0	0	112.6
140	V	24.4	Very low	25	Very low	119 Å²	119	135.7 Å²	135.7	72%	0.721	74%	0.744	S	S	*	*			trans	54.9	132.2	140.3	176.8	0	0	0	0	118.3
141	E	23.6	Very low	24.5	Very low	177 Å²	177	138 Å²	138	83%	0.827	74%	0.738	S	S	*	*				-151.6	163.6	51.7	-159.9	162.7	-139.8	0	0	116.8
142	S	20.6	Very low	24.2	Very low	107 Å²	107	141.2 Å²	141.2	75%	0.748	74%	0.739	S	S	*	*			trans	-169.3	172.3	172.1	-81.5	0	0	0	0	107.6
143	P	37.9	Very low	23.9	Very low	96 Å²	96	138.7 Å²	138.7	62%	0.623	74%	0.736	S	S	*	*			cis	-135.3	-154.6	-15.6	26.4	-0.9	0	0	0	111.9
144	K	21.8	Very low	23.4	Very low	176 Å²	176	137.3 Å²	137.3	77%	0.765	74%	0.738	S	S	*	*			trans	99.5	156.2	153.6	-53.8	148.9	-173.5	162.2	0	117
145	K	20.4	Very low	23.1	Very low	186 Å²	186	136.7 Å²	136.7	81%	0.809	73%	0.731	S	S	*	*			cis	-170.5	179.8	-29.1	-100.7	179.7	-176.4	175.5	0	107.8
146	I	21.7	Very low	22.8	Very low	147 Å²	147	141.7 Å²	141.7	75%	0.754	74%	0.735	S	S	*	*			trans	102.8	89.3	149.4	-47.2	-166.8	0	0	0	120.5
147	K	20.3	Very low	22.5	Very low	179 Å²	179	139.2 Å²	139.2	78%	0.778	73%	0.729	S	S	*	*				48.5	120.3	119.7	-58.5	174.8	-178.2	172.3	0	124.3
148	K	20.5	Very low	22.4	Very low	190 Å²	190	141.4 Å²	141.4	83%	0.826	73%	0.729	S	S	*	*				81.9	152.1	118.7	-77.7	-169.7	171.4	-175.5	0	123.9
149	K	20.3	Very low	22.2	Very low	195 Å²	195	145.9 Å²	145.9	85%	0.848	73%	0.73	S	S	*	*			trans	82.7	150.9	156.5	-75.2	-177.4	177.8	-179.9	0	117.9
150	K	20.1	Very low	22.1	Very low	167 Å²	167	145 Å²	145	73%	0.726	72%	0.721	S	S	*	*			cis	-175.7	159.2	-32.2	-145.2	-171.9	169	-176.8	0	110.3
151	K	19.8	Very low	22	Very low	136 Å²	136	147.3 Å²	147.3	59%	0.591	72%	0.721	S	S	*	*			trans	71.4	126.3	155	-79.9	-168.4	167.7	-87.5	0	116.9
152	E	20.7	Very low	22	Very low	153 Å²	153	147.4 Å²	147.4	72%	0.715	72%	0.719	S	S	*	*				78	150.9	87	-71.6	166.6	-158	0	0	114.2
153	A	21.2	Very low	22.3	Very low	79 Å²	79	145.7 Å²	145.7	65%	0.653	71%	0.711	S	S	*	*			cis	-172.9	177.5	-16.8	0	0	0	0	0	109.4
154	S	20.2	Very low	21.6	Very low	116 Å²	116	147 Å²	147	81%	0.811	72%	0.717	S	S	*	*			trans	69.3	159.9	159.4	79.8	0	0	0	0	117
155	E	22.4	Very low	21.8	Very low	141 Å²	141	143.1 Å²	143.1	66%	0.659	71%	0.709	S	S	*	*			cis	-156	160.3	-14.9	-126.5	-171.1	157	0	0	113.8
156	K	20.3	Very low	22.2	Very low	166 Å²	166	142.9 Å²	142.9	72%	0.722	71%	0.711	S	S	*	*			trans	21.3	140.3	144.3	-76	174.4	-167.8	149.2	0	123.6
157	S	20	Very low	22.4	Very low	92 Å²	92	139.9 Å²	139.9	64%	0.643	71%	0.708	S	S	*	*				98.4	107.8	124.3	-81.3	0	0	0	0	123.3
158	Q	22.1	Very low	22.8	Very low	141 Å²	141	135.6 Å²	135.6	66%	0.659	71%	0.706	S	S	*	*				78.6	137.8	117.5	-76.7	-164.2	15.8	0	0	122.9
159	K	21.9	Very low	23	Very low	158 Å²	158	132 Å²	132	69%	0.687	70%	0.7	S	S	*	*			trans	74.1	148.4	149.7	-68	164.2	171.9	150.4	0	115.9
160	Q	23.7	Very low	23.3	Very low	124 Å²	124	130.3 Å²	130.3	58%	0.579	70%	0.7	S	S	*	*			cis	-160.8	150.8	-5	-124.8	174	32.7	0	0	112.8
161	K	23	Very low	23.6	Very low	167 Å²	167	125.9 Å²	125.9	73%	0.726	70%	0.702	S	S	*	*			trans	63.7	161	150.2	-68.8	162.1	-179	161.5	0	116.5
162	K	23.5	Very low	23.9	Very low	180 Å²	180	128.3 Å²	128.3	78%	0.783	72%	0.715	S	S	*	*			cis	-139.3	150.4	-15.7	-123	-168.2	172.6	-169.5	0	105.9
163	A	25.6	Very low	24.2	Very low	70 Å²	70	126.8 Å²	126.8	58%	0.579	72%	0.721	S	S	*	*				45.8	133.4	94.2	0	0	0	0	0	113.6
164	T	24.6	Very low	24.3	Very low	123 Å²	123	129.4 Å²	129.4	76%	0.755	73%	0.729	S	S	*	*			cis	-167	-178.6	12.7	4	0	0	0	0	107.2
165	T	26.5	Very low	25.5	Very low	96 Å²	96	128.7 Å²	128.7	59%	0.589	72%	0.722	S	S	*	*			cis	-157.2	156.9	13.9	-9.1	0	0	0	0	109
166	E	26.8	Very low	25.7	Very low	180 Å²	180	129 Å²	129	84%	0.841	73%	0.728	S	S	*	*			trans	41.2	149	134.6	-69.8	156.8	-155.7	0	0	122.8
167	A	26.6	Very low	26	Very low	84 Å²	84	127.4 Å²	127.4	69%	0.694	73%	0.732	S	S	*	*			cis	-169	165.1	-13.3	0	0	0	0	0	111.7
168	A	28	Very low	26.8	Very low	89 Å²	89	128.3 Å²	128.3	74%	0.736	74%	0.736	S	S	*	*			trans	53.8	142.8	133.6	0	0	0	0	0	122
169	T	25.9	Very low	26.9	Very low	116 Å²	116	127 Å²	127	71%	0.712	74%	0.737	S	S	*	*			cis	-164.5	153.8	-10.2	16.5	0	0	0	0	110.8
170	N	25.9	Very low	26.9	Very low	159 Å²	159	127.6 Å²	127.6	85%	0.85	74%	0.742	S	S	*	*			trans	32.3	143.6	138	-51.8	-10.3	0	0	0	123
171	G	26.6	Very low	26.8	Very low	73 Å²	73	128.2 Å²	128.2	75%	0.753	76%	0.755	S	S	*	*			trans	111.8	88.5	155.4	0	0	0	0	0	113.9
172	H	26.8	Very low	27.4	Very low	188 Å²	188	125.8 Å²	125.8	87%	0.87	76%	0.756	S	S	*	*			cis	72.3	81.6	43.5	-140.1	90.6	0	0	0	114.2
173	S	26.6	Very low	27.3	Very low	121 Å²	121	122 Å²	122	85%	0.846	75%	0.752	S	S	*	*			trans	179.1	170.2	134.4	40.1	0	0	0	0	113.1
174	T	24.5	Very low	27.5	Very low	133 Å²	133	126.8 Å²	126.8	82%	0.816	76%	0.763	S	S	*	*			trans	-126.3	-178.5	-164.3	49.6	0	0	0	0	110.8
175	P	43.9	Very low	27.5	Very low	101 Å²	101	127.3 Å²	127.3	66%	0.656	77%	0.766	S	S	*	*			cis	-133.9	-167	-25.1	28.3	-5.1	0	0	0	113.7
176	N	27.6	Very low	27.9	Very low	148 Å²	148	128.2 Å²	128.2	79%	0.791	77%	0.774	S	S	*	*			trans	103.1	119.8	150.6	-64	-16.4	0	0	0	120.7
177	T	26.8	Very low	27.9	Very low	132 Å²	132	125.6 Å²	125.6	81%	0.81	78%	0.775	S	S	*	*			trans	-49.2	173.2	161.3	20.4	0	0	0	0	115.6
178	P	36.4	Very low	28.1	Very low	111 Å²	111	130.6 Å²	130.6	72%	0.721	78%	0.784	S	S	*	*			cis	-142	-171.9	18.9	27.1	-0.1	0	0	0	118
179	V	23	Very low	28	Very low	113 Å²	113	131.9 Å²	131.9	69%	0.685	79%	0.788	S	S	*	*			trans	97.5	106.7	151.7	-166.1	0	0	0	0	120.1
180	Q	23.8	Very low	28	Very low	171 Å²	171	131.1 Å²	131.1	80%	0.799	79%	0.787	S	S	*	*			trans	63.7	129.5	145.1	-65	167.8	3.1	0	0	124.1
181	T	21.4	Very low	28.2	Very low	137 Å²	137	130.8 Å²	130.8	84%	0.84	79%	0.785	S	S	*	*			trans	66.4	158.5	153.4	36.5	0	0	0	0	119.2
182	P	33.9	Very low	28.3	Very low	117 Å²	117	135 Å²	135	76%	0.76	79%	0.785	S	S	*	*			cis	-121.1	176.2	1.8	41.4	-28.2	0	0	0	115.9
183	S	23	Very low	28.4	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	78%	0.781	S	S	*	*			trans	-67.2	171.1	157.4	49.2	0	0	0	0	110.5
184	Q	29.1	Very low	28.5	Very low	171 Å²	171	131.9 Å²	131.9	80%	0.799	78%	0.778	S	S	*	*			cis	-147	161.8	37.7	-58	168	1	0	0	110.3
185	T	24.5	Very low	28.8	Very low	133 Å²	133	130.8 Å²	130.8	82%	0.816	78%	0.776	S	S	*	*				-171.4	143.8	85.6	-60.8	0	0	0	0	109
186	P	36	Very low	28.2	Very low	116 Å²	116	133.3 Å²	133.3	75%	0.753	78%	0.784	S	S	*	*			trans	-99	159.3	-168.6	38	-35.9	0	0	0	115.3
187	S	26.8	Very low	28.4	Very low	124 Å²	124	131.3 Å²	131.3	87%	0.867	78%	0.781	S	S	*	*			trans	-149.3	141.3	153	53.7	0	0	0	0	109.7
188	Q	29.1	Very low	29	Very low	190 Å²	190	133.4 Å²	133.4	89%	0.888	78%	0.782	S	S	*	*			trans	-113.5	135	-179	-60.4	171.7	-64.3	0	0	110.5
189	S	26.1	Very low	29.5	Very low	116 Å²	116	134.8 Å²	134.8	81%	0.811	78%	0.783	S	S	*	*			trans	178.7	110.8	134.4	56.3	0	0	0	0	111.7
190	S	27.4	Very low	30.8	Very low	100 Å²	100	137.6 Å²	137.6	70%	0.699	79%	0.789	S	S	*	*			trans	-56.6	160.2	142	21.6	0	0	0	0	110.5
191	D	28.3	Very low	32.7	Very low	152 Å²	152	134.2 Å²	134.2	81%	0.813	77%	0.773	S	S	*	*			cis	-149.3	178	-9.5	-85.5	-38.3	0	0	0	105
192	E	30.3	Very low	35.5	Very low	160 Å²	160	130.2 Å²	130.2	75%	0.748	75%	0.748	S	S	*	*			cis	-164.4	177.8	22.9	-148	-174.1	-167.1	0	0	110
193	L	28.1	Very low	37.6	Very low	150 Å²	150	129.2 Å²	129.2	79%	0.785	74%	0.742	S	S	*	*			trans	57.7	76.4	154.8	-61.2	176.2	0	0	0	120.5
194	A	28.9	Very low	40.3	Very low	94 Å²	94	129.6 Å²	129.6	78%	0.777	73%	0.733	S	S	*	*			trans	-141.2	107.6	136.8	0	0	0	0	0	109.5	D196	A194-D196 PolarHBondContact O-N 2.83Å; A194-D196 VanDerWaalsContact O-N 3.07Å
195	S	31	Very low	42.8	Very low	111 Å²	111	124.3 Å²	124.3	78%	0.776	71%	0.708	S	S	*	*			trans	-86.1	71.1	-173.6	62.9	0	0	0	0	112.3	S197	S195-S197 PolarHBondContact O-N 3.37Å
196	D	31.2	Very low	45.8	Very low	153 Å²	153	124.9 Å²	124.9	82%	0.818	70%	0.695	S	S	*	*			trans	-72.9	85.7	164.1	-93.6	-36.1	0	0	0	109.4	A194 E198	A194-D196 PolarHBondContact O-N 2.83Å; A194-D196 VanDerWaalsContact O-N 3.07Å; D196-E198 PolarHBondContact O-N 3.16Å
197	S	30.8	Very low	48.3	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	69%	0.685	S	S	*	*			trans	-67.2	77.8	165	-60.9	0	0	0	0	109	S195 N199	S195-S197 PolarHBondContact O-N 3.37Å; S197-N199 PolarHBondContact O-N 2.9Å
198	E	39.9	Very low	51.2	Low	177 Å²	177	119 Å²	119	83%	0.827	64%	0.644	S	S	*	*			trans	-55.4	105.2	170.7	-77.4	-149.5	145.2	0	0	108.5	D196 E200	D196-E198 PolarHBondContact O-N 3.16Å; E198-E200 PolarHBondContact O-N 3.03Å
199	N	46.8	Very low	54.2	Low	140 Å²	140	111 Å²	111	75%	0.749	61%	0.611	S	S	*	*			trans	-70.9	98.8	-170.4	-170.4	7.6	0	0	0	108.4	S197 Q201	S197-N199 PolarHBondContact O-N 2.9Å; N199-Q201 VanDerWaalsContact C-N 3.28Å; N199-Q201 PolarHBondContact O-N 2.82Å
200	E	51.3	Low	57.3	Low	172 Å²	172	106.4 Å²	106.4	80%	0.804	58%	0.576	S	S	*	*			trans	-59.5	86.5	-176.6	-79.4	-152.9	115.7	0	0	111.3	E198 T202	E198-E200 PolarHBondContact O-N 3.03Å; E200-T202 PolarHBondContact O-N 3.25Å
201	Q	63.3	Low	60.3	Low	99 Å²	99	106.6 Å²	106.6	46%	0.463	58%	0.577	S	S	.	*			trans	-59.7	126.8	178.4	-68.5	-177.8	1.9	0	0	108.9	N199 Q205 R206	N199-Q201 VanDerWaalsContact C-N 3.28Å; N199-Q201 PolarHBondContact O-N 2.82Å; Q201-Q205 HydrophobicContact CB-CB 4.22Å; Q201-R206 HydrophobicContact CB-CG 3.87Å; Q201-R206 VanDerWaalsContact O-CZ 3.29Å; Q201-R206 PolarHBondContact O-NE 3.17Å; Q201-R206 PolarHBondContact O-NH2 3.3Å
202	T	80	Confident	63.3	Low	53 Å²	53	103.3 Å²	103.3	33%	0.325	56%	0.56	S	S	.	*			trans	-62.6	156.6	177.4	67.8	0	0	0	0	110.1	E200 E204 Q205 R206	E200-T202 PolarHBondContact O-N 3.25Å; T202-E204 PolarHBondContact O-N 3.1Å; T202-E204 VanDerWaalsContact O-N 3.16Å; T202-Q205 WeakPolarHBondContact O-CB 3.03Å; T202-Q205 PolarHBondContact O-N 2.98Å; T202-Q205 WeakPolarHBondContact OG1-CG 3.41Å; T202-Q205 PolarHBondContact OG1-N 3.4Å; T202-R206 PolarHBondContact O-N 3.09Å; T202-R206 VanDerWaalsContact O-N 3.09Å
203	P	78.8	Confident	66.3	Low	97 Å²	97	96.9 Å²	96.9	63%	0.63	53%	0.53	S	S	*	.	H	α-helix	trans	-52.6	-39.8	177.6	-27.6	35.9	0	0	0	112.5	Q205 R206 E207	P203-Q205 PolarHBondContact O-N 3.47Å; P203-R206 PolarHBondContact O-N 3.02Å; P203-E207 PolarHBondContact O-N 2.98Å
204	E	78.1	Confident	69.4	Low	108 Å²	108	94.3 Å²	94.3	51%	0.505	51%	0.51	S	S	.	.	H	α-helix	trans	-58.3	-41.3	174.9	-55.7	165.9	177.3	0	0	112.9	T202 G208 Y230	T202-E204 PolarHBondContact O-N 3.1Å; T202-E204 VanDerWaalsContact O-N 3.16Å; E204-G208 WeakPolarHBondContact O-CA 3.47Å; E204-G208 PolarHBondContact O-N 3.43Å; E204-Y230 HydrophobicContact CB-CE2 4.13Å
205	Q	82.9	Confident	72.5	Confident	60 Å²	60	90.7 Å²	90.7	28%	0.28	48%	0.477	S	S	.	.	H	α-helix	trans	-70.1	-35	176.9	-71.4	168.6	2.6	0	0	112	Q201 T202 P203 A209 Y230	Q201-Q205 HydrophobicContact CB-CB 4.22Å; T202-Q205 WeakPolarHBondContact O-CB 3.03Å; T202-Q205 PolarHBondContact O-N 2.98Å; T202-Q205 WeakPolarHBondContact OG1-CG 3.41Å; T202-Q205 PolarHBondContact OG1-N 3.4Å; P203-Q205 PolarHBondContact O-N 3.47Å; Q205-A209 PolarHBondContact O-N 2.84Å; Q205-Y230 HydrophobicContact CB-CG 4.45Å; Q205-Y230 HydrophobicContact CG-CD1 3.79Å; Q205-Y230 HydrophobicContact CG-CD2 4.13Å; Q205-Y230 HydrophobicContact CG-CE1 3.65Å; Q205-Y230 HydrophobicContact CG-CE2 3.98Å; Q205-Y230 HydrophobicContact CG-CG 4.04Å
206	R	86.5	Confident	75.5	Confident	144 Å²	144	87.5 Å²	87.5	54%	0.543	46%	0.455	S	S	.	.	H	α-helix	trans	-71.8	-43.4	177.3	-60.1	-179	-158.4	-155.8	2.2	111.7	Q201 T202 P203 A209 N212	Q201-R206 HydrophobicContact CB-CG 3.87Å; Q201-R206 VanDerWaalsContact O-CZ 3.29Å; Q201-R206 PolarHBondContact O-NE 3.17Å; Q201-R206 PolarHBondContact O-NH2 3.3Å; T202-R206 PolarHBondContact O-N 3.09Å; T202-R206 VanDerWaalsContact O-N 3.09Å; P203-R206 PolarHBondContact O-N 3.02Å; R206-A209 WeakPolarHBondContact O-CB 3.17Å; R206-N212 PolarHBondContact O-ND2 2.97Å
207	E	88	Confident	78.4	Confident	116 Å²	116	88.4 Å²	88.4	54%	0.542	45%	0.451	S	S	.	.	H	α-helix	trans	-67.7	-43.6	174	-72.7	-171.6	-161.6	0	0	111.8	P203 A209 N212 F213	P203-E207 PolarHBondContact O-N 2.98Å; E207-A209 PolarHBondContact O-N 2.72Å; E207-N212 PolarHBondContact O-ND2 2.75Å; E207-F213 WeakPolarHBondContact O-CE2 3.49Å
208	G	88.6	Confident	81.2	Confident	0 Å²	0	86 Å²	86	0%	0	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.2	178.9	0	0	0	0	0	115.6	E204 F210 L231	E204-G208 WeakPolarHBondContact O-CA 3.47Å; E204-G208 PolarHBondContact O-N 3.43Å; G208-F210 PolarHBondContact O-N 3.39Å; G208-L231 VanDerWaalsContact CA-O 3.31Å; G208-L231 WeakPolarHBondContact CA-O 3.38Å; G208-L231 PolarHBondContact O-N 2.93Å
209	A	91.5	Very high	83.7	Confident	23 Å²	23	77.6 Å²	77.6	19%	0.19	39%	0.393	C	S	.	.			trans	-58.8	130	-176.8	0	0	0	0	0	111.8	Q205 R206 E207 S211 N212 F213	Q205-A209 PolarHBondContact O-N 2.84Å; R206-A209 WeakPolarHBondContact O-CB 3.17Å; E207-A209 PolarHBondContact O-N 2.72Å; A209-S211 WeakPolarHBondContact CB-OG 3.46Å; A209-S211 PolarHBondContact O-N 3Å; A209-N212 WeakPolarHBondContact O-CB 3.27Å; A209-N212 PolarHBondContact O-N 3.35Å; A209-F213 WeakPolarHBondContact O-CD2 3.47Å; A209-F213 WeakPolarHBondContact O-CE2 3.45Å
210	F	91.6	Very high	86	Confident	19 Å²	19	72.2 Å²	72.2	8%	0.083	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-58.8	-20.8	-176.1	-59.5	-51.5	0	0	0	114.3	G208 N212 F213 I215 I220 L223 V228 T229 L231	G208-F210 PolarHBondContact O-N 3.39Å; F210-N212 PolarHBondContact O-N 3.29Å; F210-F213 PolarHBondContact O-N 3.2Å; F210-I215 HydrophobicContact CD1-CD1 3.94Å; F210-I220 HydrophobicContact CB-CD1 3.79Å; F210-I220 HydrophobicContact CB-CG1 4.05Å; F210-I220 HydrophobicContact CD2-CG1 4.24Å; F210-I220 HydrophobicContact CD2-CG2 3.7Å; F210-I220 HydrophobicContact CE2-CG2 4.08Å; F210-I220 HydrophobicContact CG-CD1 4.4Å; F210-I220 HydrophobicContact CG-CG1 4.14Å; F210-I220 HydrophobicContact CG-CG2 4.43Å; F210-L223 HydrophobicContact CE1-CD1 4.11Å; F210-L223 HydrophobicContact CZ-CB 4.25Å; F210-L223 HydrophobicContact CZ-CD1 4.33Å; F210-V228 HydrophobicContact CZ-CG1 4.17Å; F210-V228 WeakPolarHBondContact CZ-O 3.18Å; F210-T229 WeakPolarHBondContact CE2-O 3.34Å; F210-L231 HydrophobicContact CD1-CD2 4.32Å; F210-L231 HydrophobicContact CD1-CG 4.2Å; F210-L231 HydrophobicContact CE1-CD2 3.86Å; F210-L231 HydrophobicContact CE1-CG 4.13Å
211	S	90.4	Very high	87.9	Confident	104 Å²	104	68.6 Å²	68.6	73%	0.727	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-55.9	-27.9	171.1	45.9	0	0	0	0	113.9	A209 F213	A209-S211 WeakPolarHBondContact CB-OG 3.46Å; A209-S211 PolarHBondContact O-N 3Å; S211-F213 VanDerWaalsContact C-N 3.26Å; S211-F213 PolarHBondContact O-N 2.58Å
212	N	91.8	Very high	89.3	Confident	84 Å²	84	66.8 Å²	66.8	45%	0.449	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-84.4	-4.7	-173.9	-50.6	-14	0	0	0	111.8	R206 E207 A209 F210	R206-N212 PolarHBondContact O-ND2 2.97Å; E207-N212 PolarHBondContact O-ND2 2.75Å; A209-N212 WeakPolarHBondContact O-CB 3.27Å; A209-N212 PolarHBondContact O-N 3.35Å; F210-N212 PolarHBondContact O-N 3.29Å
213	F	93.1	Very high	89.9	Confident	24 Å²	24	64.3 Å²	64.3	11%	0.105	33%	0.325	C	S	.	.	S	Bend	trans	-129.5	156	-169	-56.2	-77.6	0	0	0	112.4	E207 A209 F210 S211 I215 L231 V236 F239	E207-F213 WeakPolarHBondContact O-CE2 3.49Å; A209-F213 WeakPolarHBondContact O-CD2 3.47Å; A209-F213 WeakPolarHBondContact O-CE2 3.45Å; F210-F213 PolarHBondContact O-N 3.2Å; S211-F213 VanDerWaalsContact C-N 3.26Å; S211-F213 PolarHBondContact O-N 2.58Å; F213-I215 HydrophobicContact CB-CD1 3.85Å; F213-I215 HydrophobicContact CB-CG1 3.88Å; F213-I215 PolarHBondContact O-N 3.41Å; F213-L231 HydrophobicContact CD1-CD1 4.09Å; F213-L231 HydrophobicContact CD2-CD1 3.6Å; F213-L231 HydrophobicContact CD2-CG 4.35Å; F213-L231 HydrophobicContact CE1-CD1 4.23Å; F213-L231 HydrophobicContact CE2-CD1 3.76Å; F213-L231 HydrophobicContact CE2-CG 4.38Å; F213-L231 HydrophobicContact CG-CD1 3.79Å; F213-L231 HydrophobicContact CZ-CD1 4.09Å; F213-V236 HydrophobicContact CE2-CG2 4.4Å; F213-V236 HydrophobicContact CZ-CB 4.12Å; F213-V236 HydrophobicContact CZ-CG1 4.01Å; F213-V236 HydrophobicContact CZ-CG2 3.85Å; F213-F239 HydrophobicContact CB-CD1 4.21Å; F213-F239 HydrophobicContact CB-CD2 4.33Å; F213-F239 HydrophobicContact CB-CE1 4.12Å; F213-F239 HydrophobicContact CB-CE2 4.22Å; F213-F239 HydrophobicContact CB-CG 4.34Å; F213-F239 HydrophobicContact CB-CZ 4.12Å; F213-F239 HydrophobicContact CD1-CB 3.74Å; F213-F239 AromaticContact CD1-CD1 3.81Å; F213-F239 HydrophobicContact CD1-CD1 3.81Å; F213-F239 HydrophobicContact CD1-CD2 4.17Å; F213-F239 AromaticContact CD1-CG 3.62Å; F213-F239 HydrophobicContact CD1-CG 3.62Å; F213-F239 HydrophobicContact CE1-CB 4.03Å; F213-F239 HydrophobicContact CE1-CG 4.41Å; F213-F239 HydrophobicContact CG-CD1 4.46Å; F213-F239 HydrophobicContact CG-CD2 4.45Å; F213-F239 HydrophobicContact CG-CG 4.29Å
214	R	93.6	Very high	90.5	Very high	97 Å²	97	65.3 Å²	65.3	37%	0.366	32%	0.32	S	S	.	.			trans	-82.6	64.1	-178.9	-68.6	168	-78.5	175.2	0.1	110.8	F239 N240 Y243 D244	R214-F239 HydrophobicContact CB-CE1 4.09Å; R214-F239 HydrophobicContact CB-CZ 4.47Å; R214-N240 PolarHBondContact NH2-OD1 2.96Å; R214-Y243 HydrophobicContact CB-CE2 4.21Å; R214-Y243 VanDerWaalsContact NH1-CD1 3.34Å; R214-D244 IonicContact CZ-OD1 3.49Å; R214-D244 IonicContact CZ-OD2 3.75Å; R214-D244 IonicContact NH1-OD1 2.72Å; R214-D244 PolarHBondContact NH1-OD1 3.26Å; R214-D244 IonicContact NH1-OD2 3.66Å; R214-D244 VanDerWaalsContact NH2-CG 3.27Å; R214-D244 IonicContact NH2-OD1 2.79Å; R214-D244 PolarHBondContact NH2-OD1 3.02Å; R214-D244 VanDerWaalsContact NH2-OD1 3.14Å; R214-D244 IonicContact NH2-OD2 3.32Å; R214-D244 PolarHBondContact NH2-OD2 3.41Å
215	I	93.8	Very high	91.1	Very high	18 Å²	18	64.5 Å²	64.5	9%	0.092	33%	0.331	C	S	.	.			trans	-116.3	124.7	-178.2	-49.2	172.4	0	0	0	109.8	F210 F213 T219 I220 L231 F239 I264 E268	F210-I215 HydrophobicContact CD1-CD1 3.94Å; F213-I215 HydrophobicContact CB-CD1 3.85Å; F213-I215 HydrophobicContact CB-CG1 3.88Å; F213-I215 PolarHBondContact O-N 3.41Å; I215-T219 HydrophobicContact CG2-CG2 3.86Å; I215-I220 HydrophobicContact CB-CD1 4.44Å; I215-I220 HydrophobicContact CB-CG1 4.19Å; I215-I220 HydrophobicContact CG2-CD1 4.48Å; I215-I220 HydrophobicContact CG2-CG1 3.74Å; I215-L231 HydrophobicContact CD1-CD1 4.29Å; I215-F239 HydrophobicContact CD1-CE2 3.82Å; I215-F239 HydrophobicContact CD1-CZ 4.39Å; I215-F239 HydrophobicContact CG1-CE2 3.56Å; I215-F239 HydrophobicContact CG1-CZ 3.66Å; I215-I264 HydrophobicContact CD1-CG2 3.99Å; I215-I264 HydrophobicContact CG1-CG2 4.14Å; I215-I264 HydrophobicContact CG2-CG2 4.4Å; I215-E268 HydrophobicContact CG2-CG 4.31Å
216	S	92.9	Very high	91.2	Very high	44 Å²	44	65.8 Å²	65.8	31%	0.308	33%	0.334	S	S	.	.			trans	-68.4	147.8	176.5	64.3	0	0	0	0	112.2	V218 T219 I220 E268	S216-V218 PolarHBondContact O-N 2.86Å; S216-T219 PolarHBondContact O-N 3.5Å; S216-T219 PolarHBondContact OG-OG1 2.75Å; S216-I220 PolarHBondContact O-N 3.24Å; S216-E268 WeakPolarHBondContact CB-OE2 3.42Å; S216-E268 PolarHBondContact N-OE2 3.23Å; S216-E268 PolarHBondContact OG-OE1 2.73Å; S216-E268 PolarHBondContact OG-OE2 2.74Å
217	K	91.7	Very high	91.2	Very high	172 Å²	172	61.9 Å²	61.9	75%	0.748	34%	0.338	S	S	*	.	H	α-helix	trans	-51.8	-42.1	-179.4	-65.9	-172.4	177.2	-173.9	0	112.7	T219 I220 D221	K217-T219 VanDerWaalsContact C-N 3.29Å; K217-T219 PolarHBondContact O-N 2.76Å; K217-I220 CarbonylContact O-C 3.59Å; K217-I220 WeakPolarHBondContact O-CA 3.47Å; K217-I220 WeakPolarHBondContact O-CB 3.23Å; K217-I220 PolarHBondContact O-N 2.77Å; K217-I220 VanDerWaalsContact O-N 3.09Å; K217-D221 PolarHBondContact O-N 2.79Å; K217-D221 VanDerWaalsContact O-OD2 3.06Å
218	V	91.3	Very high	91.2	Very high	55 Å²	55	57.5 Å²	57.5	33%	0.333	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-36.3	179.8	-173.7	0	0	0	0	112.5	S216 K222 K307	S216-V218 PolarHBondContact O-N 2.86Å; V218-K222 WeakPolarHBondContact O-CG 3.29Å; V218-K222 PolarHBondContact O-N 3.03Å; V218-K307 HydrophobicContact CG1-CD 3.93Å; V218-K307 HydrophobicContact CG1-CG 4.26Å
219	T	92.5	Very high	91.2	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.006	35%	0.348	C	S	.	.	H	α-helix	trans	-76.3	-35.6	176.2	-59	0	0	0	0	110.7	I215 S216 K217 K222 L223 I264 E268 Q271 I305	I215-T219 HydrophobicContact CG2-CG2 3.86Å; S216-T219 PolarHBondContact O-N 3.5Å; S216-T219 PolarHBondContact OG-OG1 2.75Å; K217-T219 VanDerWaalsContact C-N 3.29Å; K217-T219 PolarHBondContact O-N 2.76Å; T219-K222 PolarHBondContact O-N 3.25Å; T219-L223 HydrophobicContact CG2-CD1 4.13Å; T219-L223 WeakPolarHBondContact O-CB 3.38Å; T219-L223 VanDerWaalsContact O-CG 3.25Å; T219-L223 WeakPolarHBondContact O-CG 3.44Å; T219-L223 PolarHBondContact O-N 3.49Å; T219-I264 HydrophobicContact CG2-CG2 4.49Å; T219-E268 VanDerWaalsContact CB-OE1 3.27Å; T219-E268 WeakPolarHBondContact CB-OE1 3.27Å; T219-E268 PolarHBondContact OG1-OE1 2.7Å; T219-Q271 PolarHBondContact OG1-NE2 2.93Å; T219-I305 HydrophobicContact CG2-CB 4.38Å
220	I	93.4	Very high	91.2	Very high	27 Å²	27	63.4 Å²	63.4	14%	0.138	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-44.7	170.9	-65.4	170.2	0	0	0	111.2	F210 I215 S216 K217 K222 L223 K224	F210-I220 HydrophobicContact CB-CD1 3.79Å; F210-I220 HydrophobicContact CB-CG1 4.05Å; F210-I220 HydrophobicContact CD2-CG1 4.24Å; F210-I220 HydrophobicContact CD2-CG2 3.7Å; F210-I220 HydrophobicContact CE2-CG2 4.08Å; F210-I220 HydrophobicContact CG-CD1 4.4Å; F210-I220 HydrophobicContact CG-CG1 4.14Å; F210-I220 HydrophobicContact CG-CG2 4.43Å; I215-I220 HydrophobicContact CB-CD1 4.44Å; I215-I220 HydrophobicContact CB-CG1 4.19Å; I215-I220 HydrophobicContact CG2-CD1 4.48Å; I215-I220 HydrophobicContact CG2-CG1 3.74Å; S216-I220 PolarHBondContact O-N 3.24Å; K217-I220 CarbonylContact O-C 3.59Å; K217-I220 WeakPolarHBondContact O-CA 3.47Å; K217-I220 WeakPolarHBondContact O-CB 3.23Å; K217-I220 PolarHBondContact O-N 2.77Å; K217-I220 VanDerWaalsContact O-N 3.09Å; I220-K222 VanDerWaalsContact C-N 3.34Å; I220-K222 PolarHBondContact O-N 2.72Å; I220-L223 PolarHBondContact O-N 3.32Å; I220-K224 HydrophobicContact CG2-CD 4.2Å; I220-K224 HydrophobicContact CG2-CG 4.49Å; I220-K224 WeakPolarHBondContact O-CG 3.5Å; I220-K224 PolarHBondContact O-N 3.11Å
221	D	92.9	Very high	91.2	Very high	95 Å²	95	62.6 Å²	62.6	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-39.3	-179.9	-59.8	-33.8	0	0	0	111.3	K217 A225	K217-D221 PolarHBondContact O-N 2.79Å; K217-D221 VanDerWaalsContact O-OD2 3.06Å; D221-A225 WeakPolarHBondContact O-CB 3.46Å; D221-A225 PolarHBondContact O-N 2.69Å
222	K	93	Very high	91.3	Very high	62 Å²	62	61 Å²	61	27%	0.27	32%	0.324	S	S	.	.	H	α-helix	trans	-65.9	-39.1	172.2	-81.1	168.2	151.3	-88.5	0	113.3	V218 T219 I220 A225 R226 D304 I305 A306	V218-K222 WeakPolarHBondContact O-CG 3.29Å; V218-K222 PolarHBondContact O-N 3.03Å; T219-K222 PolarHBondContact O-N 3.25Å; I220-K222 VanDerWaalsContact C-N 3.34Å; I220-K222 PolarHBondContact O-N 2.72Å; K222-A225 PolarHBondContact O-N 3Å; K222-R226 PolarHBondContact O-N 3.29Å; K222-D304 WeakPolarHBondContact CD-O 3.47Å; K222-D304 PolarHBondContact NZ-O 2.93Å; K222-I305 WeakPolarHBondContact CD-O 3.37Å; K222-A306 VanDerWaalsContact CE-O 3.27Å; K222-A306 WeakPolarHBondContact CE-O 3.28Å; K222-A306 PolarHBondContact NZ-O 3.28Å
223	L	92.3	Very high	91.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-44.9	175.1	-77.8	166.6	0	0	0	111.2	F210 T219 I220 A225 R226 G227 V228 F260 I264 I305	F210-L223 HydrophobicContact CE1-CD1 4.11Å; F210-L223 HydrophobicContact CZ-CB 4.25Å; F210-L223 HydrophobicContact CZ-CD1 4.33Å; T219-L223 HydrophobicContact CG2-CD1 4.13Å; T219-L223 WeakPolarHBondContact O-CB 3.38Å; T219-L223 VanDerWaalsContact O-CG 3.25Å; T219-L223 WeakPolarHBondContact O-CG 3.44Å; T219-L223 PolarHBondContact O-N 3.49Å; I220-L223 PolarHBondContact O-N 3.32Å; L223-A225 PolarHBondContact O-N 2.84Å; L223-R226 CarbonylContact O-C 3.59Å; L223-R226 WeakPolarHBondContact O-CA 3.31Å; L223-R226 WeakPolarHBondContact O-CB 3.23Å; L223-R226 PolarHBondContact O-N 2.7Å; L223-G227 PolarHBondContact O-N 3.03Å; L223-V228 CarbonylContact C-O 3.56Å; L223-V228 HydrophobicContact CB-CB 4.15Å; L223-V228 HydrophobicContact CD2-CB 4.17Å; L223-V228 HydrophobicContact CD2-CG1 4.31Å; L223-V228 HydrophobicContact CD2-CG2 4.28Å; L223-V228 WeakPolarHBondContact O-CB 3.47Å; L223-V228 PolarHBondContact O-N 2.85Å; L223-F260 HydrophobicContact CD2-CE1 4.48Å; L223-I264 HydrophobicContact CD1-CD1 3.86Å; L223-I264 HydrophobicContact CD1-CG1 4.38Å; L223-I264 HydrophobicContact CD1-CG2 4.45Å; L223-I264 HydrophobicContact CD2-CD1 3.78Å; L223-I264 HydrophobicContact CD2-CG1 4.22Å; L223-I264 HydrophobicContact CG-CD1 4.49Å; L223-I305 HydrophobicContact CD2-CG2 3.76Å; L223-I305 HydrophobicContact CG-CG2 4.21Å
224	K	91.3	Very high	91.1	Very high	119 Å²	119	59.3 Å²	59.3	52%	0.517	32%	0.316	S	S	.	.	H	α-helix	trans	-59.6	-42.7	173.4	-73.3	176.1	177	-178.4	0	112.3	I220 R226 G227 V228	I220-K224 HydrophobicContact CG2-CD 4.2Å; I220-K224 HydrophobicContact CG2-CG 4.49Å; I220-K224 WeakPolarHBondContact O-CG 3.5Å; I220-K224 PolarHBondContact O-N 3.11Å; K224-R226 PolarHBondContact O-N 2.9Å; K224-G227 PolarHBondContact O-N 3.47Å; K224-V228 PolarHBondContact N-O 3.38Å
225	A	89.6	Confident	91.2	Very high	91 Å²	91	54.9 Å²	54.9	75%	0.752	30%	0.3	S	S	*	.	H	α-helix	trans	-63.9	-19.2	174.3	0	0	0	0	0	113.8	D221 K222 L223	D221-A225 WeakPolarHBondContact O-CB 3.46Å; D221-A225 PolarHBondContact O-N 2.69Å; K222-A225 PolarHBondContact O-N 3Å; L223-A225 PolarHBondContact O-N 2.84Å
226	R	84.6	Confident	91.2	Very high	87 Å²	87	55.3 Å²	55.3	33%	0.328	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	6.4	170.6	-83.9	-70	-56.4	-104.9	-10.4	113.7	K222 L223 K224 D301 D304	K222-R226 PolarHBondContact O-N 3.29Å; L223-R226 CarbonylContact O-C 3.59Å; L223-R226 WeakPolarHBondContact O-CA 3.31Å; L223-R226 WeakPolarHBondContact O-CB 3.23Å; L223-R226 PolarHBondContact O-N 2.7Å; K224-R226 PolarHBondContact O-N 2.9Å; R226-D301 IonicContact CZ-OD1 3.67Å; R226-D301 IonicContact NH1-OD1 3.86Å; R226-D301 PolarHBondContact NH1-OD1 3.07Å; R226-D301 IonicContact NH2-OD1 2.7Å; R226-D301 PolarHBondContact NH2-OD1 2.95Å; R226-D304 WeakPolarHBondContact CD-OD2 3.35Å; R226-D304 HydrophobicContact CG-CB 4.15Å; R226-D304 IonicContact CZ-OD2 3.87Å; R226-D304 IonicContact NE-OD2 2.76Å; R226-D304 IonicContact NH1-OD2 3.99Å; R226-D304 PolarHBondContact NH1-OD2 2.89Å
227	G	87.3	Confident	91.2	Very high	61 Å²	61	57.7 Å²	57.7	63%	0.629	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	7.1	-178.6	0	0	0	0	0	115.1	L223 K224	L223-G227 PolarHBondContact O-N 3.03Å; K224-G227 PolarHBondContact O-N 3.47Å
228	V	88.2	Confident	91.4	Very high	24 Å²	24	49.5 Å²	49.5	15%	0.145	27%	0.273	C	S	.	.			trans	-89.5	109.2	179.9	-171.2	0	0	0	0	109.1	F210 L223 K224 Y230 F260	F210-V228 HydrophobicContact CZ-CG1 4.17Å; F210-V228 WeakPolarHBondContact CZ-O 3.18Å; L223-V228 CarbonylContact C-O 3.56Å; L223-V228 HydrophobicContact CB-CB 4.15Å; L223-V228 HydrophobicContact CD2-CB 4.17Å; L223-V228 HydrophobicContact CD2-CG1 4.31Å; L223-V228 HydrophobicContact CD2-CG2 4.28Å; L223-V228 WeakPolarHBondContact O-CB 3.47Å; L223-V228 PolarHBondContact O-N 2.85Å; K224-V228 PolarHBondContact N-O 3.38Å; V228-Y230 WeakPolarHBondContact CG1-O 3.39Å; V228-F260 HydrophobicContact CG2-CD2 4.5Å; V228-F260 HydrophobicContact CG2-CE2 4.04Å
229	T	88.4	Confident	91.7	Very high	100 Å²	100	47 Å²	47	61%	0.613	26%	0.257	S	S	*	.			trans	-100.7	-24.7	-177.4	47.6	0	0	0	0	113.9	F210	F210-T229 WeakPolarHBondContact CE2-O 3.34Å
230	Y	91.6	Very high	91.8	Very high	48 Å²	48	50.3 Å²	50.3	19%	0.188	28%	0.275	C	S	.	.	S	Bend	trans	-148.6	166.9	174.4	65.9	-74.9	0	0	0	109.9	E204 Q205 V228 F232	E204-Y230 HydrophobicContact CB-CE2 4.13Å; Q205-Y230 HydrophobicContact CB-CG 4.45Å; Q205-Y230 HydrophobicContact CG-CD1 3.79Å; Q205-Y230 HydrophobicContact CG-CD2 4.13Å; Q205-Y230 HydrophobicContact CG-CE1 3.65Å; Q205-Y230 HydrophobicContact CG-CE2 3.98Å; Q205-Y230 HydrophobicContact CG-CG 4.04Å; V228-Y230 WeakPolarHBondContact CG1-O 3.39Å; Y230-F232 HydrophobicContact CE2-CD1 4.22Å
231	L	92.6	Very high	91.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.269	C	S	.	.			trans	-85.6	138.6	174	-64.2	-171.6	0	0	0	111.8	G208 F210 F213 I215 Q235 V236 F239 I264	G208-L231 VanDerWaalsContact CA-O 3.31Å; G208-L231 WeakPolarHBondContact CA-O 3.38Å; G208-L231 PolarHBondContact O-N 2.93Å; F210-L231 HydrophobicContact CD1-CD2 4.32Å; F210-L231 HydrophobicContact CD1-CG 4.2Å; F210-L231 HydrophobicContact CE1-CD2 3.86Å; F210-L231 HydrophobicContact CE1-CG 4.13Å; F213-L231 HydrophobicContact CD1-CD1 4.09Å; F213-L231 HydrophobicContact CD2-CD1 3.6Å; F213-L231 HydrophobicContact CD2-CG 4.35Å; F213-L231 HydrophobicContact CE1-CD1 4.23Å; F213-L231 HydrophobicContact CE2-CD1 3.76Å; F213-L231 HydrophobicContact CE2-CG 4.38Å; F213-L231 HydrophobicContact CG-CD1 3.79Å; F213-L231 HydrophobicContact CZ-CD1 4.09Å; I215-L231 HydrophobicContact CD1-CD1 4.29Å; L231-Q235 VanDerWaalsContact CA-OE1 3.31Å; L231-Q235 HydrophobicContact CB-CB 4.01Å; L231-Q235 HydrophobicContact CD1-CB 4.38Å; L231-Q235 HydrophobicContact CD2-CB 4.26Å; L231-Q235 HydrophobicContact CG-CB 4.45Å; L231-V236 HydrophobicContact CB-CG2 3.85Å; L231-F239 HydrophobicContact CD1-CD2 4.13Å; L231-I264 HydrophobicContact CD2-CD1 3.72Å
232	F	91.2	Very high	92	Very high	71 Å²	71	44.6 Å²	44.6	31%	0.311	25%	0.245	S	C	.	.			trans	-77.8	158.1	172.3	-59.4	-29.5	0	0	0	112.1	Y230 I234 Q235 V236	Y230-F232 HydrophobicContact CE2-CD1 4.22Å; F232-I234 VanDerWaalsContact C-N 3.28Å; F232-I234 PolarHBondContact O-N 3.25Å; F232-Q235 WeakPolarHBondContact O-CA 3.25Å; F232-Q235 VanDerWaalsContact O-CB 3.28Å; F232-Q235 WeakPolarHBondContact O-CB 3.46Å; F232-Q235 PolarHBondContact O-N 2.92Å; F232-V236 PolarHBondContact O-N 3.45Å
233	D	90.8	Very high	92.1	Very high	70 Å²	70	43.5 Å²	43.5	37%	0.374	24%	0.239	S	C	.	.	H	α-helix	trans	-33.9	-51.2	178.5	-84.3	59.5	0	0	0	116.5	Q235 V236 K237 L421	D233-Q235 VanDerWaalsContact C-N 3.32Å; D233-Q235 PolarHBondContact O-N 2.91Å; D233-V236 PolarHBondContact O-N 3.44Å; D233-K237 WeakPolarHBondContact O-CB 3.49Å; D233-K237 WeakPolarHBondContact O-CD 3.26Å; D233-K237 WeakPolarHBondContact O-CG 3.31Å; D233-K237 PolarHBondContact O-N 3.23Å; D233-K237 IonicContact OD2-NZ 3.12Å; D233-K237 PolarHBondContact OD2-NZ 2.99Å; D233-L421 HydrophobicContact CB-CD1 3.73Å
234	I	91.1	Very high	92.2	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-68.6	-35.1	-176.3	-173.6	57.8	0	0	0	111.6	F232 S238 A250 A252 T256 S261 I419 L421	F232-I234 VanDerWaalsContact C-N 3.28Å; F232-I234 PolarHBondContact O-N 3.25Å; I234-S238 WeakPolarHBondContact O-CB 3.44Å; I234-S238 PolarHBondContact O-N 3.46Å; I234-S238 PolarHBondContact O-OG 3.26Å; I234-S238 VanDerWaalsContact O-OG 3.04Å; I234-A250 HydrophobicContact CD1-CB 4.19Å; I234-A252 HydrophobicContact CB-CB 4.06Å; I234-A252 HydrophobicContact CD1-CB 3.9Å; I234-A252 HydrophobicContact CG1-CB 3.74Å; I234-T256 WeakPolarHBondContact CG2-O 3.44Å; I234-S261 WeakPolarHBondContact CG2-OG 3.4Å; I234-I419 HydrophobicContact CD1-CG2 3.88Å; I234-L421 HydrophobicContact CB-CD1 3.69Å; I234-L421 HydrophobicContact CD1-CD1 4.01Å; I234-L421 HydrophobicContact CD1-CG 4.36Å; I234-L421 HydrophobicContact CG1-CD1 4.42Å
235	Q	94.6	Very high	92.2	Very high	5 Å²	5	43 Å²	43	2%	0.023	25%	0.246	C	C	.	.	H	α-helix	trans	-71.5	-45.7	175.6	-58	160.8	3.9	0	0	109.8	L231 F232 D233 K237 S238 F239 G257 S261	L231-Q235 VanDerWaalsContact CA-OE1 3.31Å; L231-Q235 HydrophobicContact CB-CB 4.01Å; L231-Q235 HydrophobicContact CD1-CB 4.38Å; L231-Q235 HydrophobicContact CD2-CB 4.26Å; L231-Q235 HydrophobicContact CG-CB 4.45Å; F232-Q235 WeakPolarHBondContact O-CA 3.25Å; F232-Q235 VanDerWaalsContact O-CB 3.28Å; F232-Q235 WeakPolarHBondContact O-CB 3.46Å; F232-Q235 PolarHBondContact O-N 2.92Å; D233-Q235 VanDerWaalsContact C-N 3.32Å; D233-Q235 PolarHBondContact O-N 2.91Å; Q235-K237 PolarHBondContact O-N 3.21Å; Q235-S238 PolarHBondContact O-N 3.05Å; Q235-S238 PolarHBondContact O-OG 2.89Å; Q235-F239 WeakPolarHBondContact O-CA 3.24Å; Q235-F239 VanDerWaalsContact O-CB 3.27Å; Q235-F239 WeakPolarHBondContact O-CB 3.33Å; Q235-F239 PolarHBondContact O-N 2.8Å; Q235-G257 PolarHBondContact NE2-O 2.64Å; Q235-S261 WeakPolarHBondContact CG-OG 3.18Å
236	V	94	Very high	92.4	Very high	27 Å²	27	42 Å²	42	16%	0.164	23%	0.226	C	C	.	.	H	α-helix	trans	-53.8	-52.2	174.4	168.5	0	0	0	0	110.9	F213 L231 F232 D233	F213-V236 HydrophobicContact CE2-CG2 4.4Å; F213-V236 HydrophobicContact CZ-CB 4.12Å; F213-V236 HydrophobicContact CZ-CG1 4.01Å; F213-V236 HydrophobicContact CZ-CG2 3.85Å; L231-V236 HydrophobicContact CB-CG2 3.85Å; F232-V236 PolarHBondContact O-N 3.45Å; D233-V236 PolarHBondContact O-N 3.44Å
237	K	93.8	Very high	92.9	Very high	94 Å²	94	38 Å²	38	41%	0.409	21%	0.211	S	C	.	.	H	α-helix	trans	-75.3	-27.3	-174.7	-68.6	158.2	-173.9	163.9	0	112.6	D233 Q235 I419 L421	D233-K237 WeakPolarHBondContact O-CB 3.49Å; D233-K237 WeakPolarHBondContact O-CD 3.26Å; D233-K237 WeakPolarHBondContact O-CG 3.31Å; D233-K237 PolarHBondContact O-N 3.23Å; D233-K237 IonicContact OD2-NZ 3.12Å; D233-K237 PolarHBondContact OD2-NZ 2.99Å; Q235-K237 PolarHBondContact O-N 3.21Å; K237-I419 HydrophobicContact CB-CG2 4.08Å; K237-I419 WeakPolarHBondContact O-CD1 3.36Å; K237-L421 HydrophobicContact CD-CD2 3.77Å
238	S	95.8	Very high	93.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-87.4	-27.3	176.1	77.5	0	0	0	0	114.7	I234 Q235 N240 A241 V242 S261	I234-S238 WeakPolarHBondContact O-CB 3.44Å; I234-S238 PolarHBondContact O-N 3.46Å; I234-S238 PolarHBondContact O-OG 3.26Å; I234-S238 VanDerWaalsContact O-OG 3.04Å; Q235-S238 PolarHBondContact O-N 3.05Å; Q235-S238 PolarHBondContact O-OG 2.89Å; S238-N240 PolarHBondContact O-N 3.45Å; S238-A241 WeakPolarHBondContact O-CB 3.47Å; S238-A241 PolarHBondContact O-N 3.32Å; S238-A241 VanDerWaalsContact O-N 3.14Å; S238-V242 WeakPolarHBondContact O-CG2 3.44Å; S238-V242 PolarHBondContact O-N 2.68Å; S238-S261 WeakPolarHBondContact OG-CB 3.37Å; S238-S261 PolarHBondContact OG-O 2.72Å
239	F	95.9	Very high	93.5	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.013	18%	0.175	C	C	.	.	H	α-helix	trans	-50.5	-55.9	-163.1	-172.8	-80.6	0	0	0	112.9	F213 R214 I215 L231 Q235 V242 Y243 I264 P265	F213-F239 HydrophobicContact CB-CD1 4.21Å; F213-F239 HydrophobicContact CB-CD2 4.33Å; F213-F239 HydrophobicContact CB-CE1 4.12Å; F213-F239 HydrophobicContact CB-CE2 4.22Å; F213-F239 HydrophobicContact CB-CG 4.34Å; F213-F239 HydrophobicContact CB-CZ 4.12Å; F213-F239 HydrophobicContact CD1-CB 3.74Å; F213-F239 AromaticContact CD1-CD1 3.81Å; F213-F239 HydrophobicContact CD1-CD1 3.81Å; F213-F239 HydrophobicContact CD1-CD2 4.17Å; F213-F239 AromaticContact CD1-CG 3.62Å; F213-F239 HydrophobicContact CD1-CG 3.62Å; F213-F239 HydrophobicContact CE1-CB 4.03Å; F213-F239 HydrophobicContact CE1-CG 4.41Å; F213-F239 HydrophobicContact CG-CD1 4.46Å; F213-F239 HydrophobicContact CG-CD2 4.45Å; F213-F239 HydrophobicContact CG-CG 4.29Å; R214-F239 HydrophobicContact CB-CE1 4.09Å; R214-F239 HydrophobicContact CB-CZ 4.47Å; I215-F239 HydrophobicContact CD1-CE2 3.82Å; I215-F239 HydrophobicContact CD1-CZ 4.39Å; I215-F239 HydrophobicContact CG1-CE2 3.56Å; I215-F239 HydrophobicContact CG1-CZ 3.66Å; L231-F239 HydrophobicContact CD1-CD2 4.13Å; Q235-F239 WeakPolarHBondContact O-CA 3.24Å; Q235-F239 VanDerWaalsContact O-CB 3.27Å; Q235-F239 WeakPolarHBondContact O-CB 3.33Å; Q235-F239 PolarHBondContact O-N 2.8Å; F239-V242 PolarHBondContact O-N 3Å; F239-Y243 HydrophobicContact CE1-CD2 4.04Å; F239-Y243 HydrophobicContact CE1-CG 4.22Å; F239-Y243 HydrophobicContact CZ-CD2 4.22Å; F239-Y243 WeakPolarHBondContact O-CB 2.91Å; F239-Y243 PolarHBondContact O-N 3.18Å; F239-I264 HydrophobicContact CE2-CG2 3.95Å; F239-P265 HydrophobicContact CD2-CB 4.24Å; F239-P265 HydrophobicContact CD2-CG 4.44Å; F239-P265 HydrophobicContact CE2-CB 4.17Å; F239-P265 HydrophobicContact CZ-CB 4.38Å
240	N	94.8	Very high	93.7	Very high	70 Å²	70	29.4 Å²	29.4	37%	0.374	15%	0.146	S	C	.	.	H	α-helix	trans	-67.7	-42.4	-176	-70.6	-38.5	0	0	0	111.5	R214 S238 V242 Y243 D244	R214-N240 PolarHBondContact NH2-OD1 2.96Å; S238-N240 PolarHBondContact O-N 3.45Å; N240-V242 VanDerWaalsContact C-N 3.34Å; N240-V242 PolarHBondContact O-N 3.42Å; N240-Y243 PolarHBondContact O-N 3.26Å; N240-D244 VanDerWaalsContact O-CB 3.31Å; N240-D244 WeakPolarHBondContact O-CB 3.31Å; N240-D244 PolarHBondContact O-N 2.88Å
241	A	94.8	Very high	93.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-55.4	-48.4	176.4	0	0	0	0	0	112.3	S238 G245 E246 V248 K417	S238-A241 WeakPolarHBondContact O-CB 3.47Å; S238-A241 PolarHBondContact O-N 3.32Å; S238-A241 VanDerWaalsContact O-N 3.14Å; A241-G245 PolarHBondContact O-N 3.48Å; A241-E246 WeakPolarHBondContact CA-OE2 3.31Å; A241-E246 HydrophobicContact CB-CB 4.35Å; A241-E246 WeakPolarHBondContact CB-OE2 3.23Å; A241-E246 PolarHBondContact O-N 2.7Å; A241-V248 HydrophobicContact CB-CG2 3.71Å; A241-K417 HydrophobicContact CB-CD 3.71Å
242	V	96.3	Very high	93.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.4	-45.9	177.9	-178.3	0	0	0	0	111	S238 F239 N240 V248 P265 L266 Q392 L394	S238-V242 WeakPolarHBondContact O-CG2 3.44Å; S238-V242 PolarHBondContact O-N 2.68Å; F239-V242 PolarHBondContact O-N 3Å; N240-V242 VanDerWaalsContact C-N 3.34Å; N240-V242 PolarHBondContact O-N 3.42Å; V242-V248 HydrophobicContact CG2-CG2 4.1Å; V242-P265 HydrophobicContact CB-CB 4.03Å; V242-P265 HydrophobicContact CB-CG 3.7Å; V242-P265 HydrophobicContact CG1-CB 3.95Å; V242-P265 HydrophobicContact CG1-CG 3.58Å; V242-P265 HydrophobicContact CG2-CG 4.48Å; V242-L266 HydrophobicContact CG1-CD2 4.22Å; V242-L266 HydrophobicContact CG1-CG 4.06Å; V242-Q392 PolarHBondContact O-NE2 3.18Å; V242-Q392 PolarHBondContact O-OE1 3.04Å; V242-L394 HydrophobicContact CG1-CD1 3.78Å; V242-L394 HydrophobicContact CG1-CD2 4.35Å; V242-L394 HydrophobicContact CG2-CD2 3.99Å
243	Y	95.2	Very high	93	Very high	40 Å²	40	27.5 Å²	27.5	16%	0.157	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-44	-178.6	-172.2	-79.7	0	0	0	112.3	R214 F239 N240 P265 E268 K269 N272	R214-Y243 HydrophobicContact CB-CE2 4.21Å; R214-Y243 VanDerWaalsContact NH1-CD1 3.34Å; F239-Y243 HydrophobicContact CE1-CD2 4.04Å; F239-Y243 HydrophobicContact CE1-CG 4.22Å; F239-Y243 HydrophobicContact CZ-CD2 4.22Å; F239-Y243 WeakPolarHBondContact O-CB 2.91Å; F239-Y243 PolarHBondContact O-N 3.18Å; N240-Y243 PolarHBondContact O-N 3.26Å; Y243-P265 HydrophobicContact CD2-CB 4.44Å; Y243-E268 HydrophobicContact CD2-CB 4.39Å; Y243-E268 HydrophobicContact CE2-CB 3.94Å; Y243-K269 HydrophobicContact CE2-CB 4.45Å; Y243-K269 VanDerWaalsContact O-CD 3.27Å; Y243-K269 WeakPolarHBondContact O-CD 3.46Å; Y243-K269 WeakPolarHBondContact O-CE 3.47Å; Y243-K269 PolarHBondContact O-NZ 3.38Å; Y243-N272 PolarHBondContact OH-ND2 2.99Å
244	D	93.7	Very high	92.5	Very high	90 Å²	90	24.6 Å²	24.6	48%	0.481	12%	0.122	S	C	.	.	H	α-helix	trans	-74.9	-32.4	-176.2	-67.9	-47.8	0	0	0	111.9	R214 N240 K269	R214-D244 IonicContact CZ-OD1 3.49Å; R214-D244 IonicContact CZ-OD2 3.75Å; R214-D244 IonicContact NH1-OD1 2.72Å; R214-D244 PolarHBondContact NH1-OD1 3.26Å; R214-D244 IonicContact NH1-OD2 3.66Å; R214-D244 VanDerWaalsContact NH2-CG 3.27Å; R214-D244 IonicContact NH2-OD1 2.79Å; R214-D244 PolarHBondContact NH2-OD1 3.02Å; R214-D244 VanDerWaalsContact NH2-OD1 3.14Å; R214-D244 IonicContact NH2-OD2 3.32Å; R214-D244 PolarHBondContact NH2-OD2 3.41Å; N240-D244 VanDerWaalsContact O-CB 3.31Å; N240-D244 WeakPolarHBondContact O-CB 3.31Å; N240-D244 PolarHBondContact O-N 2.88Å; D244-K269 PolarHBondContact O-NZ 3.33Å
245	G	92.4	Very high	91.6	Very high	17 Å²	17	25.9 Å²	25.9	18%	0.175	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.8	18.6	173	0	0	0	0	0	115.3	A241 K269 R413	A241-G245 PolarHBondContact O-N 3.48Å; G245-K269 VanDerWaalsContact CA-NZ 3.34Å; G245-R413 PolarHBondContact O-NH2 3.04Å
246	E	93.7	Very high	91	Very high	71 Å²	71	27.7 Å²	27.7	33%	0.332	15%	0.148	S	C	.	.			trans	-71.8	148.1	173.8	-58.4	176.2	169.6	0	0	110.5	A241 Q392 K417	A241-E246 WeakPolarHBondContact CA-OE2 3.31Å; A241-E246 HydrophobicContact CB-CB 4.35Å; A241-E246 WeakPolarHBondContact CB-OE2 3.23Å; A241-E246 PolarHBondContact O-N 2.7Å; E246-Q392 VanDerWaalsContact O-CG 3.31Å; E246-Q392 WeakPolarHBondContact O-CG 3.4Å; E246-Q392 PolarHBondContact O-NE2 3.26Å; E246-K417 VanDerWaalsContact CD-NZ 3.32Å; E246-K417 IonicContact OE1-NZ 2.58Å; E246-K417 PolarHBondContact OE1-NZ 3.36Å; E246-K417 VanDerWaalsContact OE1-NZ 3.15Å; E246-K417 WeakPolarHBondContact OE2-CD 3.39Å; E246-K417 VanDerWaalsContact OE2-CE 3.24Å; E246-K417 WeakPolarHBondContact OE2-CE 3.35Å; E246-K417 IonicContact OE2-NZ 3.98Å; E246-K417 PolarHBondContact OE2-NZ 2.92Å
247	D	94.8	Very high	90.5	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	15%	0.15	C	C	.	.			trans	-73	138.5	166	-66.9	-21	0	0	0	108.9	Q392 T393 M412 R413 C416 K417	D247-Q392 WeakPolarHBondContact OD1-CA 3.41Å; D247-T393 VanDerWaalsContact CA-O 3.28Å; D247-T393 WeakPolarHBondContact CA-O 3.48Å; D247-T393 WeakPolarHBondContact CB-O 3.37Å; D247-T393 PolarHBondContact OD1-N 2.79Å; D247-M412 HydrophobicContact CB-CG 4.45Å; D247-R413 VanDerWaalsContact CG-NH2 3.28Å; D247-R413 IonicContact OD1-CZ 2.74Å; D247-R413 IonicContact OD1-NE 2.72Å; D247-R413 PolarHBondContact OD1-NE 3.47Å; D247-R413 IonicContact OD1-NH2 3.39Å; D247-R413 PolarHBondContact OD1-NH2 3.02Å; D247-R413 VanDerWaalsContact OD2-CB 3.28Å; D247-R413 WeakPolarHBondContact OD2-CB 3.2Å; D247-R413 WeakPolarHBondContact OD2-CG 3.34Å; D247-R413 IonicContact OD2-CZ 3.72Å; D247-R413 PolarHBondContact OD2-N 3Å; D247-R413 IonicContact OD2-NE 3.88Å; D247-R413 PolarHBondContact OD2-NE 3.03Å; D247-R413 IonicContact OD2-NH2 2.68Å; D247-C416 HydrophobicContact CB-CB 3.8Å; D247-C416 CarbonylContact O-C 3.49Å; D247-C416 WeakPolarHBondContact O-CA 3.36Å; D247-K417 PolarHBondContact O-N 3.44Å
248	V	94.7	Very high	90.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.6	-172.9	-176.5	0	0	0	0	111	A241 V242 A250 T393 L394 L395 K417 I419	A241-V248 HydrophobicContact CB-CG2 3.71Å; V242-V248 HydrophobicContact CG2-CG2 4.1Å; V248-A250 HydrophobicContact CG1-CB 4.13Å; V248-T393 PolarHBondContact N-O 3.26Å; V248-L394 HydrophobicContact CB-CD2 3.75Å; V248-L394 HydrophobicContact CG2-CD2 3.84Å; V248-L395 PolarHBondContact O-N 3.04Å; V248-K417 WeakPolarHBondContact CA-O 3.27Å; V248-I419 HydrophobicContact CG1-CD1 3.82Å; V248-I419 HydrophobicContact CG1-CG1 4.3Å
249	I	93.1	Very high	90.2	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.015	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.1	161.7	-60.3	173.3	0	0	0	106.7	L395 Y405 M412 K417 H418 I419	I249-L395 HydrophobicContact CG2-CD2 4.22Å; I249-Y405 HydrophobicContact CD1-CD2 3.74Å; I249-Y405 HydrophobicContact CD1-CE2 3.47Å; I249-Y405 VanDerWaalsContact CD1-CE2 3.47Å; I249-M412 HydrophobicContact CD1-CE 4.45Å; I249-M412 HydrophobicContact CD1-SD 3.67Å; I249-M412 HydrophobicContact CG1-CE 3.7Å; I249-M412 HydrophobicContact CG1-SD 3.48Å; I249-M412 WeakPolarHBondContact CG1-SD 3.34Å; I249-K417 PolarHBondContact N-O 2.98Å; I249-H418 VanDerWaalsContact CG2-CD2 3.49Å; I249-H418 WeakPolarHBondContact CG2-CD2 3.4Å; I249-H418 PolarHBondContact O-CD2 2.85Å; I249-I419 PolarHBondContact O-N 2.82Å
250	A	92.3	Very high	90.1	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	109.5	-177	0	0	0	0	0	110.7	I234 V248 L395 F396 S397 I419	I234-A250 HydrophobicContact CD1-CB 4.19Å; V248-A250 HydrophobicContact CG1-CB 4.13Å; A250-L395 PolarHBondContact N-O 2.96Å; A250-F396 HydrophobicContact CB-CD1 3.46Å; A250-F396 VanDerWaalsContact CB-CD1 3.46Å; A250-F396 HydrophobicContact CB-CD2 4.43Å; A250-F396 HydrophobicContact CB-CE1 3.29Å; A250-F396 HydrophobicContact CB-CE2 4.29Å; A250-F396 HydrophobicContact CB-CG 4.05Å; A250-F396 HydrophobicContact CB-CZ 3.75Å; A250-F396 WeakPolarHBondContact O-CA 3.44Å; A250-S397 PolarHBondContact O-N 2.94Å; A250-S397 VanDerWaalsContact O-N 3.14Å; A250-I419 WeakPolarHBondContact CA-O 3.09Å
251	Q	90.3	Very high	90.1	Very high	27 Å²	27	22 Å²	22	13%	0.126	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	114.1	174.7	-171.9	170.9	-5.6	0	0	110.4	S397 A398 I419 L421 I422	Q251-S397 WeakPolarHBondContact CA-O 3.39Å; Q251-A398 PolarHBondContact NE2-O 3.18Å; Q251-I419 PolarHBondContact N-O 2.85Å; Q251-L421 PolarHBondContact O-N 2.8Å; Q251-I422 HydrophobicContact CG-CD1 3.89Å; Q251-I422 HydrophobicContact CG-CG1 4.17Å
252	A	87.3	Confident	90.2	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.			trans	-148.4	147.2	178.6	0	0	0	0	0	111.3	I234 T256 K258 S397 A398 L421	I234-A252 HydrophobicContact CB-CB 4.06Å; I234-A252 HydrophobicContact CD1-CB 3.9Å; I234-A252 HydrophobicContact CG1-CB 3.74Å; A252-T256 WeakPolarHBondContact CB-OG1 3.4Å; A252-K258 HydrophobicContact CB-CD 4.45Å; A252-K258 HydrophobicContact CB-CG 4.2Å; A252-S397 PolarHBondContact N-O 3.07Å; A252-S397 VanDerWaalsContact N-O 3.09Å; A252-A398 VanDerWaalsContact O-CA 3.31Å; A252-A398 WeakPolarHBondContact O-CA 3.23Å; A252-L421 HydrophobicContact CB-CB 4.35Å; A252-L421 HydrophobicContact CB-CD1 4.47Å
253	R	83.5	Confident	90.2	Very high	52 Å²	52	22 Å²	22	20%	0.196	13%	0.125	C	C	.	.			trans	-54	154.5	-175.8	-62.7	176.2	172.2	129.2	1.5	112.2	T256 I422 Q427 A429	R253-T256 HydrophobicContact CB-CG2 3.86Å; R253-T256 WeakPolarHBondContact O-CB 3.35Å; R253-T256 VanDerWaalsContact O-CG2 3.29Å; R253-T256 WeakPolarHBondContact O-CG2 3.35Å; R253-T256 PolarHBondContact O-N 3.08Å; R253-T256 PolarHBondContact O-OG1 2.89Å; R253-I422 HydrophobicContact CG-CD1 4.09Å; R253-I422 HydrophobicContact CG-CG1 4.04Å; R253-Q427 PolarHBondContact NE-O 2.89Å; R253-Q427 VanDerWaalsContact NE-O 3.08Å; R253-Q427 PolarHBondContact NH2-O 3.48Å; R253-A429 VanDerWaalsContact CD-O 3.24Å; R253-A429 WeakPolarHBondContact CD-O 3.38Å; R253-A429 PolarHBondContact NE-O 3.2Å; R253-A429 VanDerWaalsContact NE-O 3.07Å
254	T	79.5	Confident	90.2	Very high	9 Å²	9	20.1 Å²	20.1	6%	0.055	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	144.5	167.8	33.3	0	0	0	0	110.8	T256 A398 G548	T254-T256 VanDerWaalsContact C-N 3.31Å; T254-T256 PolarHBondContact O-N 3.05Å; T254-A398 HydrophobicContact CG2-CB 4.26Å; T254-G548 WeakPolarHBondContact OG1-CA 3.45Å
255	G	73.4	Confident	90.4	Very high	30 Å²	30	15.9 Å²	15.9	31%	0.309	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-16.3	-176.8	0	0	0	0	0	116.6	G257	G255-G257 PolarHBondContact O-N 2.98Å
256	T	80.9	Confident	90.5	Very high	42 Å²	42	15.1 Å²	15.1	26%	0.258	9%	0.087	S	C	.	.	S	Bend	trans	-72.8	9.5	-174.7	59.3	0	0	0	0	116.4	I234 A252 R253 T254	I234-T256 WeakPolarHBondContact CG2-O 3.44Å; A252-T256 WeakPolarHBondContact CB-OG1 3.4Å; R253-T256 HydrophobicContact CB-CG2 3.86Å; R253-T256 WeakPolarHBondContact O-CB 3.35Å; R253-T256 VanDerWaalsContact O-CG2 3.29Å; R253-T256 WeakPolarHBondContact O-CG2 3.35Å; R253-T256 PolarHBondContact O-N 3.08Å; R253-T256 PolarHBondContact O-OG1 2.89Å; T254-T256 VanDerWaalsContact C-N 3.31Å; T254-T256 PolarHBondContact O-N 3.05Å
257	G	85.1	Confident	90.6	Very high	21 Å²	21	11.7 Å²	11.7	22%	0.216	7%	0.071	C	C	.	.			trans	75	26.9	177.2	0	0	0	0	0	115.9	Q235 G255 T259 F260 S261	Q235-G257 PolarHBondContact NE2-O 2.64Å; G255-G257 PolarHBondContact O-N 2.98Å; G257-T259 PolarHBondContact O-N 3.17Å; G257-T259 VanDerWaalsContact O-N 3.15Å; G257-F260 PolarHBondContact O-N 2.99Å; G257-S261 PolarHBondContact O-OG 3.06Å; G257-S261 VanDerWaalsContact O-OG 3.13Å
258	K	90.8	Very high	90.6	Very high	16 Å²	16	11.6 Å²	11.6	7%	0.07	7%	0.071	C	C	.	.	H	α-helix	trans	-44.7	-42.3	175	-71.5	-173.1	-69.6	150.6	0	114	A252 F260 S261 F262 D361 F396	A252-K258 HydrophobicContact CB-CD 4.45Å; A252-K258 HydrophobicContact CB-CG 4.2Å; K258-F260 PolarHBondContact O-N 3.04Å; K258-S261 WeakPolarHBondContact CA-OG 3.46Å; K258-S261 WeakPolarHBondContact O-CA 3.43Å; K258-S261 WeakPolarHBondContact O-CB 3.3Å; K258-S261 PolarHBondContact O-N 2.94Å; K258-S261 PolarHBondContact O-OG 2.92Å; K258-S261 VanDerWaalsContact O-OG 3.14Å; K258-F262 WeakPolarHBondContact O-CD1 3.44Å; K258-D361 IonicContact NZ-OD1 2.8Å; K258-F396 HydrophobicContact CB-CD1 4.1Å; K258-F396 HydrophobicContact CG-CD1 4.36Å
259	T	92.3	Very high	90.5	Very high	19 Å²	19	13.8 Å²	13.8	12%	0.117	8%	0.08	C	C	.	.	H	α-helix	trans	-57.2	-45.3	-176.7	-48.9	0	0	0	0	113.2	G257 S261 F262 A263 V298 D301	G257-T259 PolarHBondContact O-N 3.17Å; G257-T259 VanDerWaalsContact O-N 3.15Å; T259-S261 PolarHBondContact O-N 2.87Å; T259-F262 HydrophobicContact CG2-CE2 4.4Å; T259-F262 HydrophobicContact CG2-CZ 4.11Å; T259-F262 WeakPolarHBondContact O-CD2 3.44Å; T259-A263 WeakPolarHBondContact O-CB 3.42Å; T259-A263 PolarHBondContact O-N 2.9Å; T259-V298 HydrophobicContact CG2-CB 4.33Å; T259-V298 HydrophobicContact CG2-CG1 4.2Å; T259-V298 HydrophobicContact CG2-CG2 3.88Å; T259-D301 HydrophobicContact CG2-CB 4.09Å
260	F	94	Very high	90.4	Very high	19 Å²	19	13.7 Å²	13.7	8%	0.083	8%	0.08	C	C	.	.	H	α-helix	trans	-72	-18	176.1	-73.9	-47.1	0	0	0	113.6	L223 V228 G257 K258 F262 A263 I264 D301 I305	L223-F260 HydrophobicContact CD2-CE1 4.48Å; V228-F260 HydrophobicContact CG2-CD2 4.5Å; V228-F260 HydrophobicContact CG2-CE2 4.04Å; G257-F260 PolarHBondContact O-N 2.99Å; K258-F260 PolarHBondContact O-N 3.04Å; F260-F262 PolarHBondContact O-N 3.09Å; F260-A263 HydrophobicContact CD1-CB 4.45Å; F260-A263 PolarHBondContact O-N 2.9Å; F260-I264 HydrophobicContact CB-CD1 3.79Å; F260-I264 HydrophobicContact CB-CG1 4.01Å; F260-I264 HydrophobicContact CD1-CD1 4.36Å; F260-I264 HydrophobicContact CD1-CG1 4.04Å; F260-I264 HydrophobicContact CG-CD1 4.22Å; F260-I264 HydrophobicContact CG-CG1 4.33Å; F260-I264 WeakPolarHBondContact O-CG1 3.47Å; F260-I264 PolarHBondContact O-N 3.08Å; F260-I264 VanDerWaalsContact O-N 3.13Å; F260-D301 HydrophobicContact CE1-CB 3.97Å; F260-D301 HydrophobicContact CZ-CB 4.25Å; F260-I305 HydrophobicContact CD1-CD1 4.25Å; F260-I305 HydrophobicContact CD1-CG2 4.46Å; F260-I305 HydrophobicContact CE1-CD1 4.35Å; F260-I305 HydrophobicContact CE1-CG2 3.78Å; F260-I305 HydrophobicContact CZ-CG2 4.49Å
261	S	94.9	Very high	90.2	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.007	9%	0.091	C	C	.	.	H	α-helix	trans	-68.1	-23.7	179.9	-46	0	0	0	0	112.7	I234 Q235 S238 G257 K258 T259 P265	I234-S261 WeakPolarHBondContact CG2-OG 3.4Å; Q235-S261 WeakPolarHBondContact CG-OG 3.18Å; S238-S261 WeakPolarHBondContact OG-CB 3.37Å; S238-S261 PolarHBondContact OG-O 2.72Å; G257-S261 PolarHBondContact O-OG 3.06Å; G257-S261 VanDerWaalsContact O-OG 3.13Å; K258-S261 WeakPolarHBondContact CA-OG 3.46Å; K258-S261 WeakPolarHBondContact O-CA 3.43Å; K258-S261 WeakPolarHBondContact O-CB 3.3Å; K258-S261 PolarHBondContact O-N 2.94Å; K258-S261 PolarHBondContact O-OG 2.92Å; K258-S261 VanDerWaalsContact O-OG 3.14Å; T259-S261 PolarHBondContact O-N 2.87Å; S261-P265 WeakPolarHBondContact O-CG 3.27Å
262	F	96	Very high	89.9	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-105.6	-38.1	165.7	55.8	-98	0	0	0	112.8	K258 T259 F260 I264 P265 L266 V287 V298 F302 V359 D361 F396	K258-F262 WeakPolarHBondContact O-CD1 3.44Å; T259-F262 HydrophobicContact CG2-CE2 4.4Å; T259-F262 HydrophobicContact CG2-CZ 4.11Å; T259-F262 WeakPolarHBondContact O-CD2 3.44Å; F260-F262 PolarHBondContact O-N 3.09Å; F262-I264 PolarHBondContact O-N 2.85Å; F262-P265 WeakPolarHBondContact O-CD 3.21Å; F262-L266 HydrophobicContact CB-CD1 4.23Å; F262-L266 VanDerWaalsContact O-CB 3.28Å; F262-L266 WeakPolarHBondContact O-CB 3.32Å; F262-L266 WeakPolarHBondContact O-CG 3.4Å; F262-L266 PolarHBondContact O-N 2.9Å; F262-L266 VanDerWaalsContact O-N 3.11Å; F262-V287 HydrophobicContact CE2-CG1 4.43Å; F262-V298 HydrophobicContact CE2-CG1 3.95Å; F262-V298 HydrophobicContact CZ-CG1 4.23Å; F262-F302 HydrophobicContact CD2-CE2 4.18Å; F262-F302 AromaticContact CD2-CZ 3.93Å; F262-F302 HydrophobicContact CD2-CZ 3.93Å; F262-F302 AromaticContact CE2-CE2 3.88Å; F262-F302 HydrophobicContact CE2-CE2 3.88Å; F262-F302 HydrophobicContact CE2-CZ 4.13Å; F262-V359 HydrophobicContact CB-CG2 4.32Å; F262-V359 HydrophobicContact CD1-CG1 3.99Å; F262-V359 HydrophobicContact CD2-CG1 4Å; F262-V359 HydrophobicContact CD2-CG2 4.04Å; F262-V359 HydrophobicContact CE1-CG1 3.98Å; F262-V359 HydrophobicContact CE2-CG1 4.02Å; F262-V359 HydrophobicContact CG-CG1 3.98Å; F262-V359 HydrophobicContact CG-CG2 4.26Å; F262-V359 HydrophobicContact CZ-CG1 3.99Å; F262-D361 HydrophobicContact CE1-CB 4.4Å; F262-D361 HydrophobicContact CZ-CB 4.29Å; F262-F396 HydrophobicContact CB-CD2 4.39Å; F262-F396 HydrophobicContact CB-CE2 3.76Å; F262-F396 HydrophobicContact CB-CZ 4.07Å; F262-F396 HydrophobicContact CD1-CB 4.41Å; F262-F396 HydrophobicContact CD1-CD1 4.07Å; F262-F396 AromaticContact CD1-CD2 3.47Å; F262-F396 HydrophobicContact CD1-CD2 3.47Å; F262-F396 VanDerWaalsContact CD1-CD2 3.47Å; F262-F396 HydrophobicContact CD1-CE1 4.22Å; F262-F396 AromaticContact CD1-CE2 3.65Å; F262-F396 HydrophobicContact CD1-CE2 3.65Å; F262-F396 AromaticContact CD1-CG 3.7Å; F262-F396 HydrophobicContact CD1-CG 3.7Å; F262-F396 HydrophobicContact CD1-CZ 4.02Å; F262-F396 HydrophobicContact CE1-CB 4.26Å; F262-F396 HydrophobicContact CE1-CD2 4.1Å; F262-F396 HydrophobicContact CE1-CG 4.03Å; F262-F396 HydrophobicContact CG-CD2 4.3Å; F262-F396 HydrophobicContact CG-CE2 4.15Å
263	A	96.4	Very high	89.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.1	-42.5	-171.8	0	0	0	0	0	113.6	T259 F260 V267 F302 I305	T259-A263 WeakPolarHBondContact O-CB 3.42Å; T259-A263 PolarHBondContact O-N 2.9Å; F260-A263 HydrophobicContact CD1-CB 4.45Å; F260-A263 PolarHBondContact O-N 2.9Å; A263-V267 WeakPolarHBondContact O-CB 3.31Å; A263-V267 VanDerWaalsContact O-CG2 3.24Å; A263-V267 WeakPolarHBondContact O-CG2 3.45Å; A263-V267 PolarHBondContact O-N 3.35Å; A263-F302 HydrophobicContact CB-CD1 3.87Å; A263-F302 HydrophobicContact CB-CD2 4.34Å; A263-F302 HydrophobicContact CB-CE1 3.67Å; A263-F302 HydrophobicContact CB-CE2 4.13Å; A263-F302 HydrophobicContact CB-CG 4.21Å; A263-F302 HydrophobicContact CB-CZ 3.81Å; A263-I305 HydrophobicContact CB-CD1 3.98Å
264	I	95.9	Very high	88.7	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-57.9	179.5	-55.9	171.1	0	0	0	111.5	I215 T219 L223 L231 F239 F260 F262 L266 V267 E268 I305	I215-I264 HydrophobicContact CD1-CG2 3.99Å; I215-I264 HydrophobicContact CG1-CG2 4.14Å; I215-I264 HydrophobicContact CG2-CG2 4.4Å; T219-I264 HydrophobicContact CG2-CG2 4.49Å; L223-I264 HydrophobicContact CD1-CD1 3.86Å; L223-I264 HydrophobicContact CD1-CG1 4.38Å; L223-I264 HydrophobicContact CD1-CG2 4.45Å; L223-I264 HydrophobicContact CD2-CD1 3.78Å; L223-I264 HydrophobicContact CD2-CG1 4.22Å; L223-I264 HydrophobicContact CG-CD1 4.49Å; L231-I264 HydrophobicContact CD2-CD1 3.72Å; F239-I264 HydrophobicContact CE2-CG2 3.95Å; F260-I264 HydrophobicContact CB-CD1 3.79Å; F260-I264 HydrophobicContact CB-CG1 4.01Å; F260-I264 HydrophobicContact CD1-CD1 4.36Å; F260-I264 HydrophobicContact CD1-CG1 4.04Å; F260-I264 HydrophobicContact CG-CD1 4.22Å; F260-I264 HydrophobicContact CG-CG1 4.33Å; F260-I264 WeakPolarHBondContact O-CG1 3.47Å; F260-I264 PolarHBondContact O-N 3.08Å; F260-I264 VanDerWaalsContact O-N 3.13Å; F262-I264 PolarHBondContact O-N 2.85Å; I264-L266 VanDerWaalsContact C-N 3.31Å; I264-L266 PolarHBondContact O-N 3.38Å; I264-V267 PolarHBondContact O-N 2.78Å; I264-E268 HydrophobicContact CG2-CG 4.46Å; I264-E268 PolarHBondContact O-N 2.79Å; I264-I305 HydrophobicContact CG1-CD1 3.98Å
265	P	96.1	Very high	88	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-33.3	-178.3	23	-33.7	0	0	0	113.3	F239 V242 Y243 S261 F262 K269	F239-P265 HydrophobicContact CD2-CB 4.24Å; F239-P265 HydrophobicContact CD2-CG 4.44Å; F239-P265 HydrophobicContact CE2-CB 4.17Å; F239-P265 HydrophobicContact CZ-CB 4.38Å; V242-P265 HydrophobicContact CB-CB 4.03Å; V242-P265 HydrophobicContact CB-CG 3.7Å; V242-P265 HydrophobicContact CG1-CB 3.95Å; V242-P265 HydrophobicContact CG1-CG 3.58Å; V242-P265 HydrophobicContact CG2-CG 4.48Å; Y243-P265 HydrophobicContact CD2-CB 4.44Å; S261-P265 WeakPolarHBondContact O-CG 3.27Å; F262-P265 WeakPolarHBondContact O-CD 3.21Å; P265-K269 WeakPolarHBondContact O-CB 3.41Å; P265-K269 PolarHBondContact O-N 3.14Å
266	L	95.9	Very high	87.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.2	-39.8	174.2	-71	174.4	0	0	0	112.6	V242 F262 I264 L270 V285 F302 H357 V359 L394	V242-L266 HydrophobicContact CG1-CD2 4.22Å; V242-L266 HydrophobicContact CG1-CG 4.06Å; F262-L266 HydrophobicContact CB-CD1 4.23Å; F262-L266 VanDerWaalsContact O-CB 3.28Å; F262-L266 WeakPolarHBondContact O-CB 3.32Å; F262-L266 WeakPolarHBondContact O-CG 3.4Å; F262-L266 PolarHBondContact O-N 2.9Å; F262-L266 VanDerWaalsContact O-N 3.11Å; I264-L266 VanDerWaalsContact C-N 3.31Å; I264-L266 PolarHBondContact O-N 3.38Å; L266-L270 VanDerWaalsContact O-CB 3.31Å; L266-L270 WeakPolarHBondContact O-CB 3.15Å; L266-L270 VanDerWaalsContact O-CG 3.31Å; L266-L270 WeakPolarHBondContact O-CG 3.27Å; L266-L270 PolarHBondContact O-N 3.46Å; L266-V285 HydrophobicContact CD1-CG1 4.17Å; L266-F302 HydrophobicContact CB-CE1 4.41Å; L266-F302 HydrophobicContact CD1-CZ 4.37Å; L266-H357 HydrophobicContact CD2-CB 3.86Å; L266-V359 HydrophobicContact CD1-CG2 3.76Å; L266-L394 HydrophobicContact CD1-CD1 4.01Å; L266-L394 HydrophobicContact CD2-CD1 4.14Å; L266-L394 HydrophobicContact CG-CD1 4.34Å
267	V	95.1	Very high	87.7	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.3	-46	176	165.8	0	0	0	0	110.8	A263 I264 K269 L270 Q271 F302 I305 A306 L309 I333	A263-V267 WeakPolarHBondContact O-CB 3.31Å; A263-V267 VanDerWaalsContact O-CG2 3.24Å; A263-V267 WeakPolarHBondContact O-CG2 3.45Å; A263-V267 PolarHBondContact O-N 3.35Å; I264-V267 PolarHBondContact O-N 2.78Å; V267-K269 PolarHBondContact O-N 3.38Å; V267-L270 PolarHBondContact O-N 3.23Å; V267-Q271 HydrophobicContact CG1-CG 4.2Å; V267-Q271 WeakPolarHBondContact O-CB 3.18Å; V267-Q271 VanDerWaalsContact O-CG 3.23Å; V267-Q271 WeakPolarHBondContact O-CG 3.16Å; V267-Q271 PolarHBondContact O-N 3.13Å; V267-F302 HydrophobicContact CG2-CD1 3.63Å; V267-F302 HydrophobicContact CG2-CE1 4.06Å; V267-I305 HydrophobicContact CB-CD1 4.34Å; V267-I305 HydrophobicContact CB-CG1 4.46Å; V267-I305 HydrophobicContact CG1-CG1 4.41Å; V267-I305 HydrophobicContact CG2-CD1 4.08Å; V267-I305 HydrophobicContact CG2-CG1 4.09Å; V267-A306 HydrophobicContact CG1-CB 4.02Å; V267-A306 HydrophobicContact CG2-CB 4.29Å; V267-L309 HydrophobicContact CG1-CD1 4.29Å; V267-L309 HydrophobicContact CG2-CD1 4.23Å; V267-I333 HydrophobicContact CG2-CD1 4.2Å
268	E	94.2	Very high	87.7	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-43.9	177.9	-67.1	-56.5	101.3	0	0	112	I215 S216 T219 Y243 I264 L270 Q271 N272	I215-E268 HydrophobicContact CG2-CG 4.31Å; S216-E268 WeakPolarHBondContact CB-OE2 3.42Å; S216-E268 PolarHBondContact N-OE2 3.23Å; S216-E268 PolarHBondContact OG-OE1 2.73Å; S216-E268 PolarHBondContact OG-OE2 2.74Å; T219-E268 VanDerWaalsContact CB-OE1 3.27Å; T219-E268 WeakPolarHBondContact CB-OE1 3.27Å; T219-E268 PolarHBondContact OG1-OE1 2.7Å; Y243-E268 HydrophobicContact CD2-CB 4.39Å; Y243-E268 HydrophobicContact CE2-CB 3.94Å; I264-E268 HydrophobicContact CG2-CG 4.46Å; I264-E268 PolarHBondContact O-N 2.79Å; E268-L270 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 3.46Å; E268-Q271 PolarHBondContact O-N 2.87Å; E268-Q271 PolarHBondContact OE1-NE2 3.11Å; E268-N272 WeakPolarHBondContact O-CB 3.38Å; E268-N272 VanDerWaalsContact O-CG 3.31Å; E268-N272 PolarHBondContact O-N 3.46Å; E268-N272 PolarHBondContact O-ND2 3.47Å
269	K	92.7	Very high	87.6	Confident	46 Å²	46	45.7 Å²	45.7	20%	0.2	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-44.4	174.5	-168.4	173	-165.8	158.4	0	111.7	Y243 D244 G245 P265 V267 D273	Y243-K269 HydrophobicContact CE2-CB 4.45Å; Y243-K269 VanDerWaalsContact O-CD 3.27Å; Y243-K269 WeakPolarHBondContact O-CD 3.46Å; Y243-K269 WeakPolarHBondContact O-CE 3.47Å; Y243-K269 PolarHBondContact O-NZ 3.38Å; D244-K269 PolarHBondContact O-NZ 3.33Å; G245-K269 VanDerWaalsContact CA-NZ 3.34Å; P265-K269 WeakPolarHBondContact O-CB 3.41Å; P265-K269 PolarHBondContact O-N 3.14Å; V267-K269 PolarHBondContact O-N 3.38Å; K269-D273 WeakPolarHBondContact O-CB 3.46Å; K269-D273 PolarHBondContact O-N 3.15Å
270	L	91.3	Very high	87.5	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-72.2	-26.5	177.6	-77.1	-176.1	0	0	0	114.8	L266 V267 E268 V275 K284 V285 L309 I333	L266-L270 VanDerWaalsContact O-CB 3.31Å; L266-L270 WeakPolarHBondContact O-CB 3.15Å; L266-L270 VanDerWaalsContact O-CG 3.31Å; L266-L270 WeakPolarHBondContact O-CG 3.27Å; L266-L270 PolarHBondContact O-N 3.46Å; V267-L270 PolarHBondContact O-N 3.23Å; E268-L270 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 3.46Å; L270-V275 VanDerWaalsContact O-CG2 3.29Å; L270-V275 WeakPolarHBondContact O-CG2 3.27Å; L270-K284 HydrophobicContact CD2-CB 3.87Å; L270-K284 HydrophobicContact CD2-CD 3.47Å; L270-K284 VanDerWaalsContact CD2-CD 3.47Å; L270-K284 HydrophobicContact CD2-CG 4.34Å; L270-V285 HydrophobicContact CD1-CG2 3.67Å; L270-V285 HydrophobicContact CG-CG2 4.34Å; L270-L309 HydrophobicContact CB-CD1 3.76Å; L270-L309 HydrophobicContact CB-CD2 4.03Å; L270-L309 HydrophobicContact CD1-CD1 3.99Å; L270-I333 HydrophobicContact CD1-CD1 3.82Å; L270-I333 HydrophobicContact CD1-CG1 3.64Å
271	Q	88.3	Confident	87.4	Confident	52 Å²	52	47.3 Å²	47.3	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-81.8	-25.5	176.9	-70	-174	133	0	0	112.5	T219 V267 E268 L309	T219-Q271 PolarHBondContact OG1-NE2 2.93Å; V267-Q271 HydrophobicContact CG1-CG 4.2Å; V267-Q271 WeakPolarHBondContact O-CB 3.18Å; V267-Q271 VanDerWaalsContact O-CG 3.23Å; V267-Q271 WeakPolarHBondContact O-CG 3.16Å; V267-Q271 PolarHBondContact O-N 3.13Å; E268-Q271 PolarHBondContact O-N 2.87Å; E268-Q271 PolarHBondContact OE1-NE2 3.11Å; Q271-L309 HydrophobicContact CG-CD1 4.19Å; Q271-L309 HydrophobicContact CG-CG 4.29Å
272	N	84.6	Confident	87.3	Confident	103 Å²	103	48.9 Å²	48.9	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-82.6	-31.4	172.4	-67.5	-26.5	0	0	0	112.2	Y243 E268 S274	Y243-N272 PolarHBondContact OH-ND2 2.99Å; E268-N272 WeakPolarHBondContact O-CB 3.38Å; E268-N272 VanDerWaalsContact O-CG 3.31Å; E268-N272 PolarHBondContact O-N 3.46Å; E268-N272 PolarHBondContact O-ND2 3.47Å; N272-S274 PolarHBondContact O-N 2.92Å
273	D	81.1	Confident	87.3	Confident	52 Å²	52	49 Å²	49	28%	0.278	26%	0.26	S	S	.	.	S	Bend	trans	-57.1	130.6	164.2	-130.4	44.4	0	0	0	109.3	K269 V275 K284 K356	K269-D273 WeakPolarHBondContact O-CB 3.46Å; K269-D273 PolarHBondContact O-N 3.15Å; D273-V275 VanDerWaalsContact C-N 3.34Å; D273-V275 PolarHBondContact O-N 3.14Å; D273-K284 IonicContact OD2-NZ 3.56Å; D273-K284 PolarHBondContact OD2-NZ 2.72Å; D273-K356 IonicContact OD1-NZ 2.72Å; D273-K356 PolarHBondContact OD1-NZ 3.34Å; D273-K356 IonicContact OD2-NZ 2.69Å; D273-K356 PolarHBondContact OD2-NZ 3.19Å
274	S	63.9	Low	87.2	Confident	115 Å²	115	50.8 Å²	50.8	80%	0.804	27%	0.268	S	S	*	.			trans	-71.1	86	175.2	43.5	0	0	0	0	111.3	N272 E276	N272-S274 PolarHBondContact O-N 2.92Å; S274-E276 PolarHBondContact O-N 3.25Å
275	V	65.4	Low	87.3	Confident	31 Å²	31	50.8 Å²	50.8	19%	0.188	27%	0.267	C	S	.	.			trans	-69.6	100.8	177.6	-174.3	0	0	0	0	110.5	L270 D273 M277 L309 D332	L270-V275 VanDerWaalsContact O-CG2 3.29Å; L270-V275 WeakPolarHBondContact O-CG2 3.27Å; D273-V275 VanDerWaalsContact C-N 3.34Å; D273-V275 PolarHBondContact O-N 3.14Å; V275-M277 HydrophobicContact CG1-SD 3.93Å; V275-M277 PolarHBondContact O-N 3.36Å; V275-M277 VanDerWaalsContact O-N 3.16Å; V275-L309 HydrophobicContact CG2-CD2 4.17Å; V275-D332 WeakPolarHBondContact CG1-OD1 3.5Å
276	E	70.1	Confident	87.3	Confident	153 Å²	153	50.8 Å²	50.8	72%	0.715	27%	0.267	S	S	*	.			trans	-62.4	112.6	160.9	-68.1	-166.6	152.2	0	0	109.3	S274 T278 R281	S274-E276 PolarHBondContact O-N 3.25Å; E276-T278 HydrophobicContact CB-CG2 4.35Å; E276-T278 PolarHBondContact O-N 3.31Å; E276-R281 WeakPolarHBondContact O-CD 3.22Å
277	M	76.9	Confident	87.4	Confident	101 Å²	101	50.8 Å²	50.8	50%	0.498	27%	0.267	S	S	.	.			trans	-76.8	51.8	-179	-66.3	-68	-70.4	0	0	111.7	V275 R281	V275-M277 HydrophobicContact CG1-SD 3.93Å; V275-M277 PolarHBondContact O-N 3.36Å; V275-M277 VanDerWaalsContact O-N 3.16Å; M277-R281 PolarHBondContact SD-NH2 3.38Å; M277-R281 VanDerWaalsContact SD-NH2 3.37Å
278	T	85.8	Confident	87.5	Confident	72 Å²	72	50.8 Å²	50.8	44%	0.442	27%	0.267	S	S	.	.			trans	-72.8	143.1	176.6	46.3	0	0	0	0	111.1	E276 R281	E276-T278 HydrophobicContact CB-CG2 4.35Å; E276-T278 PolarHBondContact O-N 3.31Å; T278-R281 PolarHBondContact O-NH1 2.75Å
279	R	89.9	Confident	87.4	Confident	190 Å²	190	50.7 Å²	50.7	72%	0.717	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	137.3	176.2	-173.2	170.2	-162.8	-169.7	7.6	109.7	R281 R328 N329	R279-R281 VanDerWaalsContact C-N 3.3Å; R279-R281 PolarHBondContact O-N 3.46Å; R279-R328 WeakPolarHBondContact CG-O 3.21Å; R279-R328 PolarHBondContact NE-O 2.84Å; R279-N329 PolarHBondContact NE-OD1 3.43Å; R279-N329 PolarHBondContact NH2-OD1 3.14Å
280	G	88.9	Confident	87.2	Confident	44 Å²	44	48.7 Å²	48.7	45%	0.454	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	13.9	179.8	0	0	0	0	0	115.2	R328	G280-R328 WeakPolarHBondContact CA-O 3.28Å; G280-R328 PolarHBondContact N-O 2.76Å; G280-R328 VanDerWaalsContact N-O 3.1Å
281	R	92.7	Very high	86.9	Confident	29 Å²	29	49.4 Å²	49.4	11%	0.109	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-64.8	137.9	176.6	72.1	-174.3	177.3	-76.3	-1.9	111.7	E276 M277 T278 R279 G330 I331 D332	E276-R281 WeakPolarHBondContact O-CD 3.22Å; M277-R281 PolarHBondContact SD-NH2 3.38Å; M277-R281 VanDerWaalsContact SD-NH2 3.37Å; T278-R281 PolarHBondContact O-NH1 2.75Å; R279-R281 VanDerWaalsContact C-N 3.3Å; R279-R281 PolarHBondContact O-N 3.46Å; R281-G330 WeakPolarHBondContact O-CA 3.41Å; R281-I331 PolarHBondContact O-N 2.66Å; R281-D332 IonicContact CZ-OD1 3.23Å; R281-D332 IonicContact CZ-OD2 3.49Å; R281-D332 IonicContact NE-OD1 2.73Å; R281-D332 PolarHBondContact NE-OD1 3.25Å; R281-D332 IonicContact NE-OD2 3.88Å; R281-D332 VanDerWaalsContact NH2-CG 3.34Å; R281-D332 IonicContact NH2-OD1 3.13Å; R281-D332 PolarHBondContact NH2-OD1 3.46Å; R281-D332 IonicContact NH2-OD2 3.05Å; R281-D332 PolarHBondContact NH2-OD2 3.15Å
282	P	93.1	Very high	86.8	Confident	33 Å²	33	50.9 Å²	50.9	21%	0.214	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73	154.1	176.1	30.9	-35.4	0	0	0	111.8	I331 N351 K354	P282-I331 CarbonylContact C-O 3.42Å; P282-N351 HydrophobicContact CB-CB 4.38Å; P282-N351 VanDerWaalsContact CB-O 3.23Å; P282-N351 WeakPolarHBondContact CB-O 3.47Å; P282-K354 HydrophobicContact CG-CB 3.89Å; P282-K354 HydrophobicContact CG-CD 3.8Å; P282-K354 HydrophobicContact CG-CG 3.99Å
283	P	95.2	Very high	86.6	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.013	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-58.4	145.3	177.4	25.3	-35.3	0	0	0	112.8	I331 L334 L350 L352 L355	P283-I331 WeakPolarHBondContact CA-O 3.47Å; P283-I331 HydrophobicContact CB-CB 4.44Å; P283-I331 HydrophobicContact CB-CG2 4.06Å; P283-L334 HydrophobicContact CB-CB 3.97Å; P283-L334 HydrophobicContact CG-CB 4.27Å; P283-L334 HydrophobicContact CG-CD2 4.33Å; P283-L350 HydrophobicContact CG-CD1 4.31Å; P283-L352 HydrophobicContact CG-CD2 3.79Å; P283-L355 HydrophobicContact CB-CD2 4.2Å; P283-L355 HydrophobicContact CG-CD2 4.25Å
284	K	94.8	Very high	86.8	Confident	39 Å²	39	44.6 Å²	44.6	17%	0.17	23%	0.232	C	C	.	.	S	Bend	trans	-92.8	-27.7	168.1	-69	179	176.4	-175.9	0	112	L270 D273 D332 K356 H357	L270-K284 HydrophobicContact CD2-CB 3.87Å; L270-K284 HydrophobicContact CD2-CD 3.47Å; L270-K284 VanDerWaalsContact CD2-CD 3.47Å; L270-K284 HydrophobicContact CD2-CG 4.34Å; D273-K284 IonicContact OD2-NZ 3.56Å; D273-K284 PolarHBondContact OD2-NZ 2.72Å; K284-D332 PolarHBondContact N-O 3.15Å; K284-K356 PolarHBondContact O-N 2.87Å; K284-H357 PolarHBondContact O-N 2.84Å; K284-H357 VanDerWaalsContact O-N 3.1Å
285	V	97.1	Very high	88.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.9	177.4	177.3	0	0	0	0	109.5	L266 L270 V287 D332 I333 L334 H357	L266-V285 HydrophobicContact CD1-CG1 4.17Å; L270-V285 HydrophobicContact CD1-CG2 3.67Å; L270-V285 HydrophobicContact CG-CG2 4.34Å; V285-V287 HydrophobicContact CG1-CG2 3.88Å; V285-D332 PolarHBondContact N-O 2.88Å; V285-D332 VanDerWaalsContact N-O 3.07Å; V285-I333 HydrophobicContact CB-CB 4.36Å; V285-I333 HydrophobicContact CB-CG1 4.16Å; V285-I333 HydrophobicContact CB-CG2 4.09Å; V285-I333 HydrophobicContact CG1-CG2 4Å; V285-I333 HydrophobicContact CG2-CG1 4.39Å; V285-L334 PolarHBondContact O-N 3.08Å; V285-H357 WeakPolarHBondContact CA-O 3.49Å; V285-H357 HydrophobicContact CG2-CB 4.1Å
286	L	97.6	Very high	89.3	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137	165.4	176.4	65.4	0	0	0	109	L288 L334 I341 L352 L355 H357 V358 V359 I378	L286-L288 HydrophobicContact CD1-CD2 4Å; L286-L288 HydrophobicContact CD2-CD1 4.43Å; L286-L288 HydrophobicContact CD2-CD2 4.16Å; L286-L288 HydrophobicContact CD2-CG 4.15Å; L286-L288 HydrophobicContact CG-CD2 4.16Å; L286-L288 HydrophobicContact CG-CG 4.19Å; L286-L334 CarbonylContact C-O 3.58Å; L286-L334 WeakPolarHBondContact CA-O 3.41Å; L286-L334 HydrophobicContact CD1-CB 4.36Å; L286-L334 HydrophobicContact CD1-CD2 4.14Å; L286-L334 HydrophobicContact CD1-CG 4.01Å; L286-I341 HydrophobicContact CD1-CD1 4.19Å; L286-I341 HydrophobicContact CD1-CG2 4.4Å; L286-L352 HydrophobicContact CD2-CD1 4.25Å; L286-L355 HydrophobicContact CB-CD1 3.72Å; L286-L355 HydrophobicContact CB-CD2 3.71Å; L286-L355 HydrophobicContact CB-CG 4.4Å; L286-L355 HydrophobicContact CD2-CD1 4.05Å; L286-H357 PolarHBondContact N-O 2.89Å; L286-V358 HydrophobicContact CB-CG2 4.42Å; L286-V358 CarbonylContact O-C 3.54Å; L286-V358 WeakPolarHBondContact O-CA 3.48Å; L286-V359 PolarHBondContact O-N 2.83Å; L286-I378 HydrophobicContact CD2-CG2 3.79Å
287	V	97.7	Very high	90.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	113	171.8	-176.1	0	0	0	0	108.7	F262 V285 V298 F302 L334 V335 G336 V359	F262-V287 HydrophobicContact CE2-CG1 4.43Å; V285-V287 HydrophobicContact CG1-CG2 3.88Å; V287-V298 HydrophobicContact CG1-CG1 4.01Å; V287-F302 HydrophobicContact CG2-CE2 3.86Å; V287-F302 HydrophobicContact CG2-CZ 4.15Å; V287-L334 PolarHBondContact N-O 3.34Å; V287-V335 HydrophobicContact CB-CB 4.38Å; V287-V335 HydrophobicContact CB-CG1 4.12Å; V287-V335 HydrophobicContact CB-CG2 4.16Å; V287-V335 HydrophobicContact CG1-CG1 4.23Å; V287-V335 HydrophobicContact CG2-CG2 4.38Å; V287-V335 CarbonylContact O-C 3.54Å; V287-V335 WeakPolarHBondContact O-CA 3.43Å; V287-G336 PolarHBondContact O-N 3.14Å; V287-V359 WeakPolarHBondContact CA-O 3.36Å; V287-V359 HydrophobicContact CB-CB 4.24Å; V287-V359 HydrophobicContact CG1-CB 3.95Å; V287-V359 HydrophobicContact CG1-CG1 4.14Å; V287-V359 HydrophobicContact CG2-CB 3.94Å; V287-V359 HydrophobicContact CG2-CG2 4.04Å
288	L	95.9	Very high	90.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132	174.5	-62.3	-178.9	0	0	0	109.7	L286 G336 I341 V359 L360 D361 M366 V375 I378	L286-L288 HydrophobicContact CD1-CD2 4Å; L286-L288 HydrophobicContact CD2-CD1 4.43Å; L286-L288 HydrophobicContact CD2-CD2 4.16Å; L286-L288 HydrophobicContact CD2-CG 4.15Å; L286-L288 HydrophobicContact CG-CD2 4.16Å; L286-L288 HydrophobicContact CG-CG 4.19Å; L288-G336 WeakPolarHBondContact CA-O 3.46Å; L288-I341 HydrophobicContact CD2-CB 4.34Å; L288-I341 HydrophobicContact CD2-CG1 3.92Å; L288-I341 HydrophobicContact CD2-CG2 4.38Å; L288-V359 PolarHBondContact N-O 2.67Å; L288-L360 HydrophobicContact CB-CD2 4.04Å; L288-L360 HydrophobicContact CD1-CD2 3.95Å; L288-L360 HydrophobicContact CG-CD2 4.34Å; L288-D361 PolarHBondContact O-N 3.49Å; L288-D361 VanDerWaalsContact O-N 3.11Å; L288-M366 HydrophobicContact CB-CE 4.08Å; L288-M366 HydrophobicContact CB-SD 3.84Å; L288-V375 HydrophobicContact CD1-CG1 4.32Å; L288-V375 HydrophobicContact CD1-CG2 4.21Å; L288-I378 HydrophobicContact CD1-CD1 4.43Å; L288-I378 HydrophobicContact CD1-CG2 4.22Å; L288-I378 HydrophobicContact CD2-CD1 4.44Å
289	A	93.3	Very high	91.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.			trans	-132.6	144	176.9	0	0	0	0	0	110.8	T291 L294 A295 G336 T337 P338	A289-T291 PolarHBondContact O-N 2.99Å; A289-L294 HydrophobicContact CB-CB 4.16Å; A289-L294 HydrophobicContact CB-CD2 4Å; A289-L294 HydrophobicContact CB-CG 3.88Å; A289-A295 HydrophobicContact CB-CB 4.32Å; A289-G336 PolarHBondContact N-O 3.13Å; A289-T337 WeakPolarHBondContact O-CA 3.35Å; A289-P338 WeakPolarHBondContact O-CD 3.44Å
290	P	88	Confident	91.5	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.026	12%	0.115	C	C	.	.	S	Bend	trans	-65.8	-31.8	-176.2	23.5	-35.2	0	0	0	114.6	L294 D361 E362 Q365 M366 M369 F371	P290-L294 HydrophobicContact CG-CD2 4.24Å; P290-D361 WeakPolarHBondContact CD-O 3.44Å; P290-E362 HydrophobicContact CG-CB 3.93Å; P290-Q365 HydrophobicContact CB-CB 4.07Å; P290-Q365 VanDerWaalsContact CB-CD 3.48Å; P290-Q365 HydrophobicContact CB-CG 3.72Å; P290-Q365 HydrophobicContact CG-CB 4.02Å; P290-Q365 HydrophobicContact CG-CG 4.02Å; P290-M366 HydrophobicContact CB-CG 3.69Å; P290-M366 HydrophobicContact CG-CG 4.11Å; P290-M369 HydrophobicContact CB-SD 4.05Å; P290-F371 WeakPolarHBondContact O-CE2 3.26Å
291	T	84.9	Confident	91.7	Very high	16 Å²	16	20.5 Å²	20.5	10%	0.098	10%	0.095	C	C	.	.	S	Bend	trans	-119	151.4	-175.7	71.8	0	0	0	0	112	A289 E293 L294 A295	A289-T291 PolarHBondContact O-N 2.99Å; T291-E293 PolarHBondContact O-N 2.97Å; T291-L294 PolarHBondContact O-N 2.78Å; T291-L294 VanDerWaalsContact OG1-CB 3.31Å; T291-L294 WeakPolarHBondContact OG1-CB 3.42Å; T291-L294 PolarHBondContact OG1-N 3.27Å; T291-A295 PolarHBondContact O-N 2.89Å; T291-A295 VanDerWaalsContact O-N 3.08Å
292	R	85	Confident	91.8	Very high	84 Å²	84	19.1 Å²	19.1	32%	0.317	9%	0.09	S	C	.	.	H	α-helix	trans	-61.2	-40	179.5	-50.9	177.2	175.4	170.6	-5	110.6	A295 I296 Y315 G316 T337	R292-A295 WeakPolarHBondContact O-CB 3.34Å; R292-A295 PolarHBondContact O-N 3.27Å; R292-I296 VanDerWaalsContact O-CG1 3.27Å; R292-I296 WeakPolarHBondContact O-CG1 3.48Å; R292-I296 PolarHBondContact O-N 3.28Å; R292-Y315 HydrophobicContact CB-CD2 3.91Å; R292-Y315 HydrophobicContact CB-CG 4.1Å; R292-Y315 HydrophobicContact CG-CD2 4.26Å; R292-G316 WeakPolarHBondContact CD-O 3.46Å; R292-G316 PolarHBondContact NE-O 3.21Å; R292-T337 HydrophobicContact CB-CG2 4.41Å; R292-T337 HydrophobicContact CG-CG2 4.12Å
293	E	81.9	Confident	91.9	Very high	18 Å²	18	22.1 Å²	22.1	8%	0.084	10%	0.1	C	C	.	.	H	α-helix	trans	-72.4	-34.1	-176.9	-63.6	72.9	-140.1	0	0	112.3	T291 I296 Q297 Q495 R498 L502 L523	T291-E293 PolarHBondContact O-N 2.97Å; E293-I296 PolarHBondContact O-N 2.99Å; E293-Q297 PolarHBondContact O-N 3.36Å; E293-Q495 PolarHBondContact OE1-NE2 3.13Å; E293-Q495 PolarHBondContact OE1-OE1 3.33Å; E293-R498 IonicContact OE1-CZ 3.22Å; E293-R498 IonicContact OE1-NH1 3.15Å; E293-R498 PolarHBondContact OE1-NH1 2.96Å; E293-R498 IonicContact OE1-NH2 2.75Å; E293-R498 PolarHBondContact OE1-NH2 3.17Å; E293-R498 IonicContact OE2-CZ 2.76Å; E293-R498 IonicContact OE2-NH1 3.85Å; E293-R498 IonicContact OE2-NH2 2.66Å; E293-R498 PolarHBondContact OE2-NH2 3.33Å; E293-L502 HydrophobicContact CG-CD1 4.39Å; E293-L523 HydrophobicContact CB-CD2 3.27Å; E293-L523 HydrophobicContact CG-CD2 3.64Å
294	L	85.1	Confident	91.8	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.026	11%	0.112	C	C	.	.	H	α-helix	trans	-67.2	-42.8	170.4	-176.2	51.7	0	0	0	111.3	A289 P290 T291 I296 Q297 V298 E362 G522	A289-L294 HydrophobicContact CB-CB 4.16Å; A289-L294 HydrophobicContact CB-CD2 4Å; A289-L294 HydrophobicContact CB-CG 3.88Å; P290-L294 HydrophobicContact CG-CD2 4.24Å; T291-L294 PolarHBondContact O-N 2.78Å; T291-L294 VanDerWaalsContact OG1-CB 3.31Å; T291-L294 WeakPolarHBondContact OG1-CB 3.42Å; T291-L294 PolarHBondContact OG1-N 3.27Å; L294-I296 PolarHBondContact O-N 2.96Å; L294-Q297 PolarHBondContact O-N 3.35Å; L294-Q297 VanDerWaalsContact O-N 3.16Å; L294-V298 HydrophobicContact CD1-CG2 3.68Å; L294-V298 HydrophobicContact CG-CG2 4.16Å; L294-V298 WeakPolarHBondContact O-CB 3.32Å; L294-V298 WeakPolarHBondContact O-CG2 3.5Å; L294-V298 PolarHBondContact O-N 3.41Å; L294-E362 HydrophobicContact CD2-CB 4.28Å; L294-E362 HydrophobicContact CD2-CG 4.03Å; L294-G522 WeakPolarHBondContact CA-O 3.32Å; L294-G522 WeakPolarHBondContact CB-O 3.24Å; L294-G522 WeakPolarHBondContact CD1-O 3.36Å; L294-G522 PolarHBondContact N-O 3.48Å
295	A	91.1	Very high	91.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.2	-40.2	174.5	0	0	0	0	0	111.4	A289 T291 R292 S299 C313 V335	A289-A295 HydrophobicContact CB-CB 4.32Å; T291-A295 PolarHBondContact O-N 2.89Å; T291-A295 VanDerWaalsContact O-N 3.08Å; R292-A295 WeakPolarHBondContact O-CB 3.34Å; R292-A295 PolarHBondContact O-N 3.27Å; A295-S299 WeakPolarHBondContact O-CB 3.14Å; A295-S299 PolarHBondContact O-N 3.06Å; A295-C313 PolarHBondContact O-SG 3.42Å; A295-V335 HydrophobicContact CB-CG1 4.04Å; A295-V335 WeakPolarHBondContact O-CG1 3.34Å
296	I	89.8	Confident	91.4	Very high	58 Å²	58	22.9 Å²	22.9	30%	0.297	11%	0.107	S	C	.	.	H	α-helix	trans	-64.7	-47.3	173.6	-66.6	161.9	0	0	0	111.4	R292 E293 L294 S299 K300 Y315	R292-I296 VanDerWaalsContact O-CG1 3.27Å; R292-I296 WeakPolarHBondContact O-CG1 3.48Å; R292-I296 PolarHBondContact O-N 3.28Å; E293-I296 PolarHBondContact O-N 2.99Å; L294-I296 PolarHBondContact O-N 2.96Å; I296-S299 PolarHBondContact O-N 3.1Å; I296-K300 PolarHBondContact O-N 2.8Å; I296-Y315 HydrophobicContact CD1-CE1 3.96Å; I296-Y315 HydrophobicContact CD1-CE2 4.02Å; I296-Y315 HydrophobicContact CG1-CD1 4.21Å; I296-Y315 HydrophobicContact CG1-CE1 3.66Å
297	Q	87.7	Confident	90.8	Very high	37 Å²	37	29.1 Å²	29.1	17%	0.173	13%	0.134	C	C	.	.	H	α-helix	trans	-57.9	-55.6	177.8	-176.9	-168.9	-32.6	0	0	111	E293 L294 S299 K300 D301 D524	E293-Q297 PolarHBondContact O-N 3.36Å; L294-Q297 PolarHBondContact O-N 3.35Å; L294-Q297 VanDerWaalsContact O-N 3.16Å; Q297-S299 VanDerWaalsContact C-N 3.29Å; Q297-S299 PolarHBondContact O-N 2.96Å; Q297-K300 WeakPolarHBondContact O-CA 3.38Å; Q297-K300 WeakPolarHBondContact O-CB 3.36Å; Q297-K300 PolarHBondContact O-N 3.45Å; Q297-D301 PolarHBondContact NE2-OD2 2.81Å; Q297-D301 PolarHBondContact O-N 2.95Å; Q297-D524 HydrophobicContact CB-CB 3.92Å; Q297-D524 HydrophobicContact CG-CB 3.76Å
298	V	93.2	Very high	90.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-41.6	-178.3	175.2	0	0	0	0	110.2	T259 F262 V287 L294 K300 D301 F302 V335	T259-V298 HydrophobicContact CG2-CB 4.33Å; T259-V298 HydrophobicContact CG2-CG1 4.2Å; T259-V298 HydrophobicContact CG2-CG2 3.88Å; F262-V298 HydrophobicContact CE2-CG1 3.95Å; F262-V298 HydrophobicContact CZ-CG1 4.23Å; V287-V298 HydrophobicContact CG1-CG1 4.01Å; L294-V298 HydrophobicContact CD1-CG2 3.68Å; L294-V298 HydrophobicContact CG-CG2 4.16Å; L294-V298 WeakPolarHBondContact O-CB 3.32Å; L294-V298 WeakPolarHBondContact O-CG2 3.5Å; L294-V298 PolarHBondContact O-N 3.41Å; V298-K300 VanDerWaalsContact C-N 3.29Å; V298-K300 PolarHBondContact O-N 2.85Å; V298-D301 PolarHBondContact O-N 2.87Å; V298-F302 HydrophobicContact CG1-CD2 3.76Å; V298-F302 HydrophobicContact CG1-CE2 3.69Å; V298-F302 VanDerWaalsContact O-CD2 3.26Å; V298-F302 WeakPolarHBondContact O-CD2 3.3Å; V298-F302 PolarHBondContact O-N 2.89Å; V298-V335 HydrophobicContact CB-CG1 4.12Å; V298-V335 HydrophobicContact CG1-CG1 4.12Å; V298-V335 HydrophobicContact CG1-CG2 4.4Å
299	S	95.1	Very high	90	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-35.9	173.8	-171.5	0	0	0	0	113	A295 I296 Q297 K303	A295-S299 WeakPolarHBondContact O-CB 3.14Å; A295-S299 PolarHBondContact O-N 3.06Å; I296-S299 PolarHBondContact O-N 3.1Å; Q297-S299 VanDerWaalsContact C-N 3.29Å; Q297-S299 PolarHBondContact O-N 2.96Å; S299-K303 WeakPolarHBondContact O-CD 3.25Å; S299-K303 VanDerWaalsContact O-CG 3.23Å; S299-K303 WeakPolarHBondContact O-CG 3.33Å; S299-K303 PolarHBondContact O-N 3.27Å; S299-K303 PolarHBondContact OG-NZ 2.8Å
300	K	92.9	Very high	90	Very high	94 Å²	94	40.3 Å²	40.3	41%	0.409	18%	0.183	S	C	.	.	H	α-helix	trans	-69.3	-48.5	173.9	-172.2	-164.2	172.7	-161	0	111.4	I296 Q297 V298 F302 K303 D304	I296-K300 PolarHBondContact O-N 2.8Å; Q297-K300 WeakPolarHBondContact O-CA 3.38Å; Q297-K300 WeakPolarHBondContact O-CB 3.36Å; Q297-K300 PolarHBondContact O-N 3.45Å; V298-K300 VanDerWaalsContact C-N 3.29Å; V298-K300 PolarHBondContact O-N 2.85Å; K300-F302 PolarHBondContact O-N 3.05Å; K300-K303 WeakPolarHBondContact O-CB 3.46Å; K300-K303 PolarHBondContact O-N 3.3Å; K300-D304 VanDerWaalsContact CE-OD2 3.31Å; K300-D304 WeakPolarHBondContact CE-OD2 3.45Å; K300-D304 PolarHBondContact O-N 3.43Å
301	D	93.7	Very high	90.3	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.048	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-33.5	-179	-69.4	-27.9	0	0	0	111.8	R226 T259 F260 Q297 V298 I305	R226-D301 IonicContact CZ-OD1 3.67Å; R226-D301 IonicContact NH1-OD1 3.86Å; R226-D301 PolarHBondContact NH1-OD1 3.07Å; R226-D301 IonicContact NH2-OD1 2.7Å; R226-D301 PolarHBondContact NH2-OD1 2.95Å; T259-D301 HydrophobicContact CG2-CB 4.09Å; F260-D301 HydrophobicContact CE1-CB 3.97Å; F260-D301 HydrophobicContact CZ-CB 4.25Å; Q297-D301 PolarHBondContact NE2-OD2 2.81Å; Q297-D301 PolarHBondContact O-N 2.95Å; V298-D301 PolarHBondContact O-N 2.87Å; D301-I305 WeakPolarHBondContact O-CG1 3.44Å
302	F	95.4	Very high	90.9	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-44.5	166.9	-88.5	-72.5	0	0	0	113.6	F262 A263 L266 V267 V287 V298 K300 I305 A306 I311 I333 V335	F262-F302 HydrophobicContact CD2-CE2 4.18Å; F262-F302 AromaticContact CD2-CZ 3.93Å; F262-F302 HydrophobicContact CD2-CZ 3.93Å; F262-F302 AromaticContact CE2-CE2 3.88Å; F262-F302 HydrophobicContact CE2-CE2 3.88Å; F262-F302 HydrophobicContact CE2-CZ 4.13Å; A263-F302 HydrophobicContact CB-CD1 3.87Å; A263-F302 HydrophobicContact CB-CD2 4.34Å; A263-F302 HydrophobicContact CB-CE1 3.67Å; A263-F302 HydrophobicContact CB-CE2 4.13Å; A263-F302 HydrophobicContact CB-CG 4.21Å; A263-F302 HydrophobicContact CB-CZ 3.81Å; L266-F302 HydrophobicContact CB-CE1 4.41Å; L266-F302 HydrophobicContact CD1-CZ 4.37Å; V267-F302 HydrophobicContact CG2-CD1 3.63Å; V267-F302 HydrophobicContact CG2-CE1 4.06Å; V287-F302 HydrophobicContact CG2-CE2 3.86Å; V287-F302 HydrophobicContact CG2-CZ 4.15Å; V298-F302 HydrophobicContact CG1-CD2 3.76Å; V298-F302 HydrophobicContact CG1-CE2 3.69Å; V298-F302 VanDerWaalsContact O-CD2 3.26Å; V298-F302 WeakPolarHBondContact O-CD2 3.3Å; V298-F302 PolarHBondContact O-N 2.89Å; K300-F302 PolarHBondContact O-N 3.05Å; F302-I305 WeakPolarHBondContact O-CG1 3.47Å; F302-A306 VanDerWaalsContact O-CB 3.26Å; F302-A306 WeakPolarHBondContact O-CB 3.31Å; F302-A306 PolarHBondContact O-N 3.37Å; F302-I311 HydrophobicContact CB-CD1 4.08Å; F302-I311 HydrophobicContact CB-CG1 4.48Å; F302-I311 HydrophobicContact CB-CG2 3.9Å; F302-I333 HydrophobicContact CD1-CD1 3.51Å; F302-I333 HydrophobicContact CD1-CG2 4.38Å; F302-I333 HydrophobicContact CD2-CG2 4.39Å; F302-I333 HydrophobicContact CE1-CD1 3.66Å; F302-I333 HydrophobicContact CE1-CG2 4.34Å; F302-I333 HydrophobicContact CE2-CG2 4.38Å; F302-I333 HydrophobicContact CG-CD1 4.31Å; F302-I333 HydrophobicContact CG-CG2 4.41Å; F302-I333 HydrophobicContact CZ-CG2 4.34Å; F302-V335 HydrophobicContact CD2-CG2 4.18Å; F302-V335 HydrophobicContact CE2-CG2 4.48Å
303	K	94.5	Very high	91.4	Very high	95 Å²	95	38 Å²	38	41%	0.413	18%	0.178	S	C	.	.	H	α-helix	trans	-65.9	-41.1	-177.8	-78	163.8	-178.7	161.6	0	112.6	S299 K300 I305 A306 I311	S299-K303 WeakPolarHBondContact O-CD 3.25Å; S299-K303 VanDerWaalsContact O-CG 3.23Å; S299-K303 WeakPolarHBondContact O-CG 3.33Å; S299-K303 PolarHBondContact O-N 3.27Å; S299-K303 PolarHBondContact OG-NZ 2.8Å; K300-K303 WeakPolarHBondContact O-CB 3.46Å; K300-K303 PolarHBondContact O-N 3.3Å; K303-I305 VanDerWaalsContact C-N 3.27Å; K303-I305 PolarHBondContact O-N 2.86Å; K303-A306 PolarHBondContact O-N 2.87Å; K303-I311 HydrophobicContact CD-CG2 4.49Å; K303-I311 WeakPolarHBondContact CE-O 3.28Å; K303-I311 HydrophobicContact CG-CB 3.87Å; K303-I311 HydrophobicContact CG-CD1 4.08Å; K303-I311 HydrophobicContact CG-CG2 3.89Å; K303-I311 PolarHBondContact NZ-O 2.89Å
304	D	92.4	Very high	92.1	Very high	49 Å²	49	37.2 Å²	37.2	26%	0.262	17%	0.174	S	C	.	.	H	α-helix	trans	-65.5	-33.5	-176.2	-68.2	-0.7	0	0	0	110.9	K222 R226 K300	K222-D304 WeakPolarHBondContact CD-O 3.47Å; K222-D304 PolarHBondContact NZ-O 2.93Å; R226-D304 WeakPolarHBondContact CD-OD2 3.35Å; R226-D304 HydrophobicContact CG-CB 4.15Å; R226-D304 IonicContact CZ-OD2 3.87Å; R226-D304 IonicContact NE-OD2 2.76Å; R226-D304 IonicContact NH1-OD2 3.99Å; R226-D304 PolarHBondContact NH1-OD2 2.89Å; K300-D304 VanDerWaalsContact CE-OD2 3.31Å; K300-D304 WeakPolarHBondContact CE-OD2 3.45Å; K300-D304 PolarHBondContact O-N 3.43Å
305	I	93.6	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-91.3	-24.6	178	70.7	179.1	0	0	0	114.9	T219 K222 L223 F260 A263 I264 V267 D301 F302 K303	T219-I305 HydrophobicContact CG2-CB 4.38Å; K222-I305 WeakPolarHBondContact CD-O 3.37Å; L223-I305 HydrophobicContact CD2-CG2 3.76Å; L223-I305 HydrophobicContact CG-CG2 4.21Å; F260-I305 HydrophobicContact CD1-CD1 4.25Å; F260-I305 HydrophobicContact CD1-CG2 4.46Å; F260-I305 HydrophobicContact CE1-CD1 4.35Å; F260-I305 HydrophobicContact CE1-CG2 3.78Å; F260-I305 HydrophobicContact CZ-CG2 4.49Å; A263-I305 HydrophobicContact CB-CD1 3.98Å; I264-I305 HydrophobicContact CG1-CD1 3.98Å; V267-I305 HydrophobicContact CB-CD1 4.34Å; V267-I305 HydrophobicContact CB-CG1 4.46Å; V267-I305 HydrophobicContact CG1-CG1 4.41Å; V267-I305 HydrophobicContact CG2-CD1 4.08Å; V267-I305 HydrophobicContact CG2-CG1 4.09Å; D301-I305 WeakPolarHBondContact O-CG1 3.44Å; F302-I305 WeakPolarHBondContact O-CG1 3.47Å; K303-I305 VanDerWaalsContact C-N 3.27Å; K303-I305 PolarHBondContact O-N 2.86Å
306	A	91.3	Very high	92.3	Very high	8 Å²	8	39.7 Å²	39.7	7%	0.066	19%	0.188	C	C	.	.			trans	-80.9	149.1	-179.4	0	0	0	0	0	113.3	K222 V267 F302 K303 L309 I311	K222-A306 VanDerWaalsContact CE-O 3.27Å; K222-A306 WeakPolarHBondContact CE-O 3.28Å; K222-A306 PolarHBondContact NZ-O 3.28Å; V267-A306 HydrophobicContact CG1-CB 4.02Å; V267-A306 HydrophobicContact CG2-CB 4.29Å; F302-A306 VanDerWaalsContact O-CB 3.26Å; F302-A306 WeakPolarHBondContact O-CB 3.31Å; F302-A306 PolarHBondContact O-N 3.37Å; K303-A306 PolarHBondContact O-N 2.87Å; A306-L309 HydrophobicContact CB-CB 4.25Å; A306-L309 HydrophobicContact CB-CD1 4.24Å; A306-L309 HydrophobicContact CB-CG 4.41Å; A306-I311 HydrophobicContact CB-CD1 3.49Å; A306-I311 VanDerWaalsContact CB-CD1 3.49Å
307	K	84.5	Confident	92	Very high	133 Å²	133	39.9 Å²	39.9	58%	0.578	20%	0.204	S	C	*	.	S	Bend	trans	-97.9	-40.2	178.7	-164.7	-172.7	-169.2	168.6	0	114.2	V218	V218-K307 HydrophobicContact CG1-CD 3.93Å; V218-K307 HydrophobicContact CG1-CG 4.26Å
308	R	85.1	Confident	92	Very high	179 Å²	179	39.8 Å²	39.8	68%	0.675	21%	0.208	S	C	*	.	S	Bend	trans	-135.5	-1.9	-168.8	-67.6	-177.8	66.6	-164.1	-1	115.5
309	L	91.2	Very high	91.8	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.11	23%	0.234	C	C	.	.			trans	-82.4	136	-172	-57.9	176.4	0	0	0	111.5	V267 L270 Q271 V275 A306 I311 D332 I333	V267-L309 HydrophobicContact CG1-CD1 4.29Å; V267-L309 HydrophobicContact CG2-CD1 4.23Å; L270-L309 HydrophobicContact CB-CD1 3.76Å; L270-L309 HydrophobicContact CB-CD2 4.03Å; L270-L309 HydrophobicContact CD1-CD1 3.99Å; Q271-L309 HydrophobicContact CG-CD1 4.19Å; Q271-L309 HydrophobicContact CG-CG 4.29Å; V275-L309 HydrophobicContact CG2-CD2 4.17Å; A306-L309 HydrophobicContact CB-CB 4.25Å; A306-L309 HydrophobicContact CB-CD1 4.24Å; A306-L309 HydrophobicContact CB-CG 4.41Å; L309-I311 HydrophobicContact CB-CD1 4.15Å; L309-I311 HydrophobicContact CB-CG1 4.13Å; L309-I311 PolarHBondContact O-N 3.24Å; L309-D332 HydrophobicContact CB-CB 4.26Å; L309-D332 HydrophobicContact CD2-CB 4.23Å; L309-I333 HydrophobicContact CD1-CD1 4.05Å
310	S	93.4	Very high	91.7	Very high	34 Å²	34	48.2 Å²	48.2	24%	0.238	25%	0.252	C	S	.	.			trans	-76	102.8	171.5	-174.5	0	0	0	0	109.5	G330 D332 I333	S310-G330 VanDerWaalsContact CB-O 3.28Å; S310-G330 WeakPolarHBondContact CB-O 3.31Å; S310-G330 PolarHBondContact OG-O 2.99Å; S310-D332 WeakPolarHBondContact CB-OD2 3.44Å; S310-D332 PolarHBondContact N-OD2 3.24Å; S310-D332 PolarHBondContact O-N 2.97Å; S310-I333 PolarHBondContact O-N 3.19Å
311	I	95.8	Very high	91.8	Very high	13 Å²	13	49.1 Å²	49.1	7%	0.067	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.3	-175.6	-60.9	150.9	0	0	0	109.2	F302 K303 A306 L309 I333	F302-I311 HydrophobicContact CB-CD1 4.08Å; F302-I311 HydrophobicContact CB-CG1 4.48Å; F302-I311 HydrophobicContact CB-CG2 3.9Å; K303-I311 HydrophobicContact CD-CG2 4.49Å; K303-I311 WeakPolarHBondContact CE-O 3.28Å; K303-I311 HydrophobicContact CG-CB 3.87Å; K303-I311 HydrophobicContact CG-CD1 4.08Å; K303-I311 HydrophobicContact CG-CG2 3.89Å; K303-I311 PolarHBondContact NZ-O 2.89Å; A306-I311 HydrophobicContact CB-CD1 3.49Å; A306-I311 VanDerWaalsContact CB-CD1 3.49Å; L309-I311 HydrophobicContact CB-CD1 4.15Å; L309-I311 HydrophobicContact CB-CG1 4.13Å; L309-I311 PolarHBondContact O-N 3.24Å; I311-I333 WeakPolarHBondContact CA-O 3.17Å; I311-I333 HydrophobicContact CG1-CB 3.97Å; I311-I333 HydrophobicContact CG1-CD1 4.11Å; I311-I333 HydrophobicContact CG1-CG1 4.18Å; I311-I333 HydrophobicContact CG2-CB 4.44Å
312	V	96.3	Very high	91.8	Very high	21 Å²	21	52.5 Å²	52.5	13%	0.127	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	158.3	-175.2	-50.5	0	0	0	0	111.6	F314 A326 I331 I333 L334 V335	V312-F314 HydrophobicContact CB-CE1 4.13Å; V312-F314 HydrophobicContact CG2-CD1 4.24Å; V312-F314 HydrophobicContact CG2-CE1 3.62Å; V312-F314 HydrophobicContact CG2-CZ 3.82Å; V312-A326 HydrophobicContact CB-CB 4.46Å; V312-A326 HydrophobicContact CG1-CB 4.05Å; V312-I331 HydrophobicContact CG1-CG1 4.45Å; V312-I331 HydrophobicContact CG2-CD1 3.74Å; V312-I331 HydrophobicContact CG2-CG1 3.9Å; V312-I331 HydrophobicContact CG2-CG2 3.8Å; V312-I333 PolarHBondContact N-O 2.89Å; V312-I333 VanDerWaalsContact N-O 3.08Å; V312-L334 HydrophobicContact CG2-CD1 3.74Å; V312-V335 PolarHBondContact O-N 2.99Å
313	C	96.4	Very high	91.8	Very high	22 Å²	22	53 Å²	53	15%	0.149	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.1	-175.5	-170	0	0	0	0	110.5	A295 Y315 V335	A295-C313 PolarHBondContact O-SG 3.42Å; C313-Y315 HydrophobicContact CB-CD1 4.33Å; C313-Y315 HydrophobicContact CB-CE1 4.23Å; C313-Y315 WeakPolarHBondContact SG-CD1 3.38Å; C313-V335 CarbonylContact C-O 3.41Å; C313-V335 VanDerWaalsContact CA-O 3.25Å; C313-V335 WeakPolarHBondContact CA-O 3.23Å
314	F	96.4	Very high	91.8	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117	-178.9	-67.2	-5.6	0	0	0	111.4	V312 Q323 A326 I327 I331 L334 V335 G336 T337 R340 I341 H344	V312-F314 HydrophobicContact CB-CE1 4.13Å; V312-F314 HydrophobicContact CG2-CD1 4.24Å; V312-F314 HydrophobicContact CG2-CE1 3.62Å; V312-F314 HydrophobicContact CG2-CZ 3.82Å; F314-Q323 HydrophobicContact CD1-CB 3.76Å; F314-Q323 HydrophobicContact CD1-CG 3.61Å; F314-Q323 HydrophobicContact CE1-CB 3.61Å; F314-Q323 HydrophobicContact CE1-CG 3.89Å; F314-Q323 HydrophobicContact CG-CB 4.33Å; F314-Q323 HydrophobicContact CG-CG 4.29Å; F314-Q323 HydrophobicContact CZ-CB 4.03Å; F314-Q323 WeakPolarHBondContact CZ-O 3.2Å; F314-A326 HydrophobicContact CE1-CB 4.09Å; F314-A326 HydrophobicContact CZ-CB 4.2Å; F314-I327 HydrophobicContact CE2-CD1 3.91Å; F314-I327 HydrophobicContact CE2-CG1 3.83Å; F314-I327 HydrophobicContact CZ-CD1 4.25Å; F314-I327 HydrophobicContact CZ-CG1 3.82Å; F314-I331 HydrophobicContact CE2-CD1 4.22Å; F314-I331 HydrophobicContact CZ-CD1 3.85Å; F314-L334 HydrophobicContact CB-CD1 4.14Å; F314-L334 HydrophobicContact CD1-CD1 4.17Å; F314-L334 HydrophobicContact CD2-CD1 3.47Å; F314-L334 VanDerWaalsContact CD2-CD1 3.47Å; F314-L334 HydrophobicContact CD2-CD2 4.23Å; F314-L334 HydrophobicContact CD2-CG 4.5Å; F314-L334 HydrophobicContact CE1-CD1 4.42Å; F314-L334 HydrophobicContact CE2-CD1 3.77Å; F314-L334 HydrophobicContact CE2-CD2 4.32Å; F314-L334 HydrophobicContact CG-CD1 3.66Å; F314-L334 HydrophobicContact CZ-CD1 4.22Å; F314-V335 PolarHBondContact N-O 3.1Å; F314-G336 CarbonylContact O-C 3.53Å; F314-G336 WeakPolarHBondContact O-CA 3.48Å; F314-T337 PolarHBondContact O-N 3.44Å; F314-T337 VanDerWaalsContact O-N 3.07Å; F314-R340 HydrophobicContact CB-CG 4.16Å; F314-I341 HydrophobicContact CB-CD1 4.04Å; F314-I341 HydrophobicContact CD2-CD1 4.33Å; F314-H344 AromaticContact CD2-CD2 3.88Å
315	Y	93.4	Very high	92	Very high	42 Å²	42	51 Å²	51	17%	0.165	28%	0.279	C	S	.	.			trans	-146.9	151.6	-178.1	54.8	-85.6	0	0	0	112	R292 I296 C313 S318 Q323 T337 R340	R292-Y315 HydrophobicContact CB-CD2 3.91Å; R292-Y315 HydrophobicContact CB-CG 4.1Å; R292-Y315 HydrophobicContact CG-CD2 4.26Å; I296-Y315 HydrophobicContact CD1-CE1 3.96Å; I296-Y315 HydrophobicContact CD1-CE2 4.02Å; I296-Y315 HydrophobicContact CG1-CD1 4.21Å; I296-Y315 HydrophobicContact CG1-CE1 3.66Å; C313-Y315 HydrophobicContact CB-CD1 4.33Å; C313-Y315 HydrophobicContact CB-CE1 4.23Å; C313-Y315 WeakPolarHBondContact SG-CD1 3.38Å; Y315-S318 PolarHBondContact O-OG 3.1Å; Y315-Q323 PolarHBondContact O-NE2 3.09Å; Y315-T337 WeakPolarHBondContact CA-OG1 3.42Å; Y315-R340 PolarHBondContact O-NH1 2.76Å
316	G	87.2	Confident	92	Very high	15 Å²	15	51.9 Å²	51.9	16%	0.155	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	161.6	179.2	0	0	0	0	0	113	R292 S318	R292-G316 WeakPolarHBondContact CD-O 3.46Å; R292-G316 PolarHBondContact NE-O 3.21Å; G316-S318 PolarHBondContact O-N 3.11Å
317	G	83.4	Confident	92.2	Very high	61 Å²	61	52.9 Å²	52.9	63%	0.629	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-3.6	-178.2	0	0	0	0	0	115.2
318	S	86.8	Confident	92.7	Very high	35 Å²	35	53.4 Å²	53.4	25%	0.245	29%	0.289	C	S	.	.	S	Bend	trans	-105.2	156.8	166.1	65	0	0	0	0	111	Y315 G316 Q323 R340	Y315-S318 PolarHBondContact O-OG 3.1Å; G316-S318 PolarHBondContact O-N 3.11Å; S318-Q323 PolarHBondContact OG-NE2 3.22Å; S318-R340 PolarHBondContact O-NH1 3.23Å; S318-R340 PolarHBondContact O-NH2 2.89Å
319	S	89.4	Confident	93.1	Very high	79 Å²	79	49.1 Å²	49.1	55%	0.552	28%	0.28	S	S	*	.			trans	-67	148.7	-176.2	53	0	0	0	0	112.7	P322	S319-P322 WeakPolarHBondContact OG-CD 3.1Å
320	Y	93.5	Very high	93.2	Very high	100 Å²	100	48.1 Å²	48.1	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-74.6	-36	-178	-72.9	-84.1	0	0	0	113.2	Q323 I324 R340 D343 H344	Y320-Q323 WeakPolarHBondContact O-CA 3.44Å; Y320-Q323 WeakPolarHBondContact O-CB 3.24Å; Y320-Q323 PolarHBondContact O-N 2.92Å; Y320-I324 WeakPolarHBondContact O-CG1 3.37Å; Y320-I324 PolarHBondContact O-N 3.38Å; Y320-R340 VanDerWaalsContact CE1-NE 3.27Å; Y320-R340 PolarHBondContact OH-NE 2.78Å; Y320-R340 PolarHBondContact OH-NH2 3.41Å; Y320-D343 HydrophobicContact CE1-CB 4.24Å; Y320-D343 PolarHBondContact OH-OD2 2.91Å; Y320-H344 AromaticContact CD1-CE1 3.81Å
321	N	94.1	Very high	93.3	Very high	113 Å²	113	46.6 Å²	46.6	60%	0.604	26%	0.264	S	S	*	.	H	α-helix	trans	-57.2	-49.2	-170.7	-60.7	1.2	0	0	0	113.3	Q323 I324 D325	N321-Q323 PolarHBondContact O-N 2.78Å; N321-I324 PolarHBondContact O-N 2.95Å; N321-I324 VanDerWaalsContact O-N 3.09Å; N321-D325 PolarHBondContact O-N 2.85Å
322	P	93.9	Very high	93.2	Very high	81 Å²	81	46 Å²	46	53%	0.526	26%	0.261	S	S	.	.	H	α-helix	trans	-61.3	-28.5	176.7	-22.6	34.8	0	0	0	113.8	S319 A326	S319-P322 WeakPolarHBondContact OG-CD 3.1Å; P322-A326 VanDerWaalsContact O-CB 3.27Å; P322-A326 WeakPolarHBondContact O-CB 3.39Å; P322-A326 PolarHBondContact O-N 3.16Å
323	Q	95.4	Very high	93.2	Very high	9 Å²	9	45 Å²	45	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-75.9	-39.3	176.5	-57.8	179.2	-11.9	0	0	111	F314 Y315 S318 Y320 N321 A326 I327 R340 H344	F314-Q323 HydrophobicContact CD1-CB 3.76Å; F314-Q323 HydrophobicContact CD1-CG 3.61Å; F314-Q323 HydrophobicContact CE1-CB 3.61Å; F314-Q323 HydrophobicContact CE1-CG 3.89Å; F314-Q323 HydrophobicContact CG-CB 4.33Å; F314-Q323 HydrophobicContact CG-CG 4.29Å; F314-Q323 HydrophobicContact CZ-CB 4.03Å; F314-Q323 WeakPolarHBondContact CZ-O 3.2Å; Y315-Q323 PolarHBondContact O-NE2 3.09Å; S318-Q323 PolarHBondContact OG-NE2 3.22Å; Y320-Q323 WeakPolarHBondContact O-CA 3.44Å; Y320-Q323 WeakPolarHBondContact O-CB 3.24Å; Y320-Q323 PolarHBondContact O-N 2.92Å; N321-Q323 PolarHBondContact O-N 2.78Å; Q323-A326 WeakPolarHBondContact O-CB 3.41Å; Q323-A326 PolarHBondContact O-N 3.32Å; Q323-I327 WeakPolarHBondContact O-CG1 3.35Å; Q323-I327 PolarHBondContact O-N 3.5Å; Q323-R340 VanDerWaalsContact OE1-CD 3.29Å; Q323-H344 PolarHBondContact OE1-NE2 3.17Å
324	I	95	Very high	93.3	Very high	38 Å²	38	44 Å²	44	20%	0.195	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-40.7	173.6	-65.9	167.1	0	0	0	110.9	Y320 N321 I327 R328	Y320-I324 WeakPolarHBondContact O-CG1 3.37Å; Y320-I324 PolarHBondContact O-N 3.38Å; N321-I324 PolarHBondContact O-N 2.95Å; N321-I324 VanDerWaalsContact O-N 3.09Å; I324-I327 WeakPolarHBondContact O-CB 3.48Å; I324-I327 PolarHBondContact O-N 3.43Å; I324-R328 VanDerWaalsContact O-CG 3.31Å; I324-R328 WeakPolarHBondContact O-CG 3.34Å; I324-R328 PolarHBondContact O-N 3Å
325	D	95.1	Very high	93.4	Very high	64 Å²	64	43.9 Å²	43.9	34%	0.342	25%	0.247	S	C	.	.	H	α-helix	trans	-72.7	-31.8	178.1	-67	-40.8	0	0	0	112.4	N321 R328 N329	N321-D325 PolarHBondContact O-N 2.85Å; D325-R328 PolarHBondContact O-N 2.93Å; D325-R328 VanDerWaalsContact OD1-CD 3.23Å; D325-R328 WeakPolarHBondContact OD1-CD 3.05Å; D325-R328 IonicContact OD1-CZ 2.75Å; D325-R328 IonicContact OD1-NE 2.93Å; D325-R328 IonicContact OD1-NH1 2.7Å; D325-R328 PolarHBondContact OD1-NH1 2.86Å; D325-N329 WeakPolarHBondContact O-CB 3.44Å; D325-N329 PolarHBondContact O-N 3.4Å; D325-N329 PolarHBondContact O-ND2 3.46Å
326	A	94.6	Very high	93.5	Very high	19 Å²	19	41.9 Å²	41.9	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-47.3	165.8	0	0	0	0	0	112.3	V312 F314 P322 Q323 R328 N329 G330	V312-A326 HydrophobicContact CB-CB 4.46Å; V312-A326 HydrophobicContact CG1-CB 4.05Å; F314-A326 HydrophobicContact CE1-CB 4.09Å; F314-A326 HydrophobicContact CZ-CB 4.2Å; P322-A326 VanDerWaalsContact O-CB 3.27Å; P322-A326 WeakPolarHBondContact O-CB 3.39Å; P322-A326 PolarHBondContact O-N 3.16Å; Q323-A326 WeakPolarHBondContact O-CB 3.41Å; Q323-A326 PolarHBondContact O-N 3.32Å; A326-R328 PolarHBondContact O-N 2.91Å; A326-N329 PolarHBondContact O-N 2.98Å; A326-G330 PolarHBondContact O-N 2.82Å
327	I	95.4	Very high	93.9	Very high	29 Å²	29	41.8 Å²	41.8	15%	0.149	24%	0.236	C	C	.	.	H	α-helix	trans	-57.8	-49.3	173.6	-68.4	166.1	0	0	0	110.5	F314 Q323 I324 N329 G330 I331 K349 L350	F314-I327 HydrophobicContact CE2-CD1 3.91Å; F314-I327 HydrophobicContact CE2-CG1 3.83Å; F314-I327 HydrophobicContact CZ-CD1 4.25Å; F314-I327 HydrophobicContact CZ-CG1 3.82Å; Q323-I327 WeakPolarHBondContact O-CG1 3.35Å; Q323-I327 PolarHBondContact O-N 3.5Å; I324-I327 WeakPolarHBondContact O-CB 3.48Å; I324-I327 PolarHBondContact O-N 3.43Å; I327-N329 VanDerWaalsContact C-N 3.25Å; I327-N329 PolarHBondContact O-N 3.42Å; I327-G330 PolarHBondContact O-N 3.23Å; I327-G330 VanDerWaalsContact O-N 3.11Å; I327-I331 HydrophobicContact CG1-CD1 3.9Å; I327-K349 HydrophobicContact CD1-CB 4.08Å; I327-K349 WeakPolarHBondContact CG2-O 3.22Å; I327-L350 HydrophobicContact CD1-CB 4.2Å
328	R	94.1	Very high	94.4	Very high	145 Å²	145	38.9 Å²	38.9	55%	0.547	21%	0.206	S	C	.	.	H	α-helix	trans	-59	-33.4	178.6	-73.6	162.6	165.1	171.4	-4.8	112.9	R279 G280 I324 D325 A326	R279-R328 WeakPolarHBondContact CG-O 3.21Å; R279-R328 PolarHBondContact NE-O 2.84Å; G280-R328 WeakPolarHBondContact CA-O 3.28Å; G280-R328 PolarHBondContact N-O 2.76Å; G280-R328 VanDerWaalsContact N-O 3.1Å; I324-R328 VanDerWaalsContact O-CG 3.31Å; I324-R328 WeakPolarHBondContact O-CG 3.34Å; I324-R328 PolarHBondContact O-N 3Å; D325-R328 PolarHBondContact O-N 2.93Å; D325-R328 VanDerWaalsContact OD1-CD 3.23Å; D325-R328 WeakPolarHBondContact OD1-CD 3.05Å; D325-R328 IonicContact OD1-CZ 2.75Å; D325-R328 IonicContact OD1-NE 2.93Å; D325-R328 IonicContact OD1-NH1 2.7Å; D325-R328 PolarHBondContact OD1-NH1 2.86Å; A326-R328 PolarHBondContact O-N 2.91Å
329	N	93.7	Very high	94.8	Very high	88 Å²	88	38.4 Å²	38.4	47%	0.471	21%	0.206	S	C	.	.	H	α-helix	trans	-82.3	-22.6	179.1	-67.8	-20.3	0	0	0	112.7	R279 D325 A326 I327	R279-N329 PolarHBondContact NE-OD1 3.43Å; R279-N329 PolarHBondContact NH2-OD1 3.14Å; D325-N329 WeakPolarHBondContact O-CB 3.44Å; D325-N329 PolarHBondContact O-N 3.4Å; D325-N329 PolarHBondContact O-ND2 3.46Å; A326-N329 PolarHBondContact O-N 2.98Å; I327-N329 VanDerWaalsContact C-N 3.25Å; I327-N329 PolarHBondContact O-N 3.42Å
330	G	93.8	Very high	95	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.182	C	C	.	.			trans	101.1	140.7	175	0	0	0	0	0	112.6	R281 S310 A326 I327	R281-G330 WeakPolarHBondContact O-CA 3.41Å; S310-G330 VanDerWaalsContact CB-O 3.28Å; S310-G330 WeakPolarHBondContact CB-O 3.31Å; S310-G330 PolarHBondContact OG-O 2.99Å; A326-G330 PolarHBondContact O-N 2.82Å; I327-G330 PolarHBondContact O-N 3.23Å; I327-G330 VanDerWaalsContact O-N 3.11Å
331	I	95.3	Very high	95.2	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.164	C	C	.	.			trans	-125.2	141	-169.1	-56.5	164.6	0	0	0	109.1	R281 P282 P283 V312 F314 I327 I333 L334	R281-I331 PolarHBondContact O-N 2.66Å; P282-I331 CarbonylContact C-O 3.42Å; P283-I331 WeakPolarHBondContact CA-O 3.47Å; P283-I331 HydrophobicContact CB-CB 4.44Å; P283-I331 HydrophobicContact CB-CG2 4.06Å; V312-I331 HydrophobicContact CG1-CG1 4.45Å; V312-I331 HydrophobicContact CG2-CD1 3.74Å; V312-I331 HydrophobicContact CG2-CG1 3.9Å; V312-I331 HydrophobicContact CG2-CG2 3.8Å; F314-I331 HydrophobicContact CE2-CD1 4.22Å; F314-I331 HydrophobicContact CZ-CD1 3.85Å; I327-I331 HydrophobicContact CG1-CD1 3.9Å; I331-I333 WeakPolarHBondContact CG2-O 3.41Å; I331-L334 HydrophobicContact CG2-CB 4.13Å
332	D	94.5	Very high	95.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.143	C	C	.	.	S	Bend	trans	-104.2	-44.6	169.9	-58.6	-58.5	0	0	0	111	V275 R281 K284 V285 L309 S310	V275-D332 WeakPolarHBondContact CG1-OD1 3.5Å; R281-D332 IonicContact CZ-OD1 3.23Å; R281-D332 IonicContact CZ-OD2 3.49Å; R281-D332 IonicContact NE-OD1 2.73Å; R281-D332 PolarHBondContact NE-OD1 3.25Å; R281-D332 IonicContact NE-OD2 3.88Å; R281-D332 VanDerWaalsContact NH2-CG 3.34Å; R281-D332 IonicContact NH2-OD1 3.13Å; R281-D332 PolarHBondContact NH2-OD1 3.46Å; R281-D332 IonicContact NH2-OD2 3.05Å; R281-D332 PolarHBondContact NH2-OD2 3.15Å; K284-D332 PolarHBondContact N-O 3.15Å; V285-D332 PolarHBondContact N-O 2.88Å; V285-D332 VanDerWaalsContact N-O 3.07Å; L309-D332 HydrophobicContact CB-CB 4.26Å; L309-D332 HydrophobicContact CD2-CB 4.23Å; S310-D332 WeakPolarHBondContact CB-OD2 3.44Å; S310-D332 PolarHBondContact N-OD2 3.24Å; S310-D332 PolarHBondContact O-N 2.97Å
333	I	96.8	Very high	95.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.5	177.6	-50.9	-172.6	0	0	0	109.4	V267 L270 V285 F302 L309 S310 I311 V312 I331 V335	V267-I333 HydrophobicContact CG2-CD1 4.2Å; L270-I333 HydrophobicContact CD1-CD1 3.82Å; L270-I333 HydrophobicContact CD1-CG1 3.64Å; V285-I333 HydrophobicContact CB-CB 4.36Å; V285-I333 HydrophobicContact CB-CG1 4.16Å; V285-I333 HydrophobicContact CB-CG2 4.09Å; V285-I333 HydrophobicContact CG1-CG2 4Å; V285-I333 HydrophobicContact CG2-CG1 4.39Å; F302-I333 HydrophobicContact CD1-CD1 3.51Å; F302-I333 HydrophobicContact CD1-CG2 4.38Å; F302-I333 HydrophobicContact CD2-CG2 4.39Å; F302-I333 HydrophobicContact CE1-CD1 3.66Å; F302-I333 HydrophobicContact CE1-CG2 4.34Å; F302-I333 HydrophobicContact CE2-CG2 4.38Å; F302-I333 HydrophobicContact CG-CD1 4.31Å; F302-I333 HydrophobicContact CG-CG2 4.41Å; F302-I333 HydrophobicContact CZ-CG2 4.34Å; L309-I333 HydrophobicContact CD1-CD1 4.05Å; S310-I333 PolarHBondContact O-N 3.19Å; I311-I333 WeakPolarHBondContact CA-O 3.17Å; I311-I333 HydrophobicContact CG1-CB 3.97Å; I311-I333 HydrophobicContact CG1-CD1 4.11Å; I311-I333 HydrophobicContact CG1-CG1 4.18Å; I311-I333 HydrophobicContact CG2-CB 4.44Å; V312-I333 PolarHBondContact N-O 2.89Å; V312-I333 VanDerWaalsContact N-O 3.08Å; I331-I333 WeakPolarHBondContact CG2-O 3.41Å; I333-V335 HydrophobicContact CG2-CG2 4.29Å
334	L	97.6	Very high	95.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.2	173.4	175.9	53.8	0	0	0	109.8	P283 V285 L286 V287 V312 F314 I331 I341 L350 L352	P283-L334 HydrophobicContact CB-CB 3.97Å; P283-L334 HydrophobicContact CG-CB 4.27Å; P283-L334 HydrophobicContact CG-CD2 4.33Å; V285-L334 PolarHBondContact O-N 3.08Å; L286-L334 CarbonylContact C-O 3.58Å; L286-L334 WeakPolarHBondContact CA-O 3.41Å; L286-L334 HydrophobicContact CD1-CB 4.36Å; L286-L334 HydrophobicContact CD1-CD2 4.14Å; L286-L334 HydrophobicContact CD1-CG 4.01Å; V287-L334 PolarHBondContact N-O 3.34Å; V312-L334 HydrophobicContact CG2-CD1 3.74Å; F314-L334 HydrophobicContact CB-CD1 4.14Å; F314-L334 HydrophobicContact CD1-CD1 4.17Å; F314-L334 HydrophobicContact CD2-CD1 3.47Å; F314-L334 VanDerWaalsContact CD2-CD1 3.47Å; F314-L334 HydrophobicContact CD2-CD2 4.23Å; F314-L334 HydrophobicContact CD2-CG 4.5Å; F314-L334 HydrophobicContact CE1-CD1 4.42Å; F314-L334 HydrophobicContact CE2-CD1 3.77Å; F314-L334 HydrophobicContact CE2-CD2 4.32Å; F314-L334 HydrophobicContact CG-CD1 3.66Å; F314-L334 HydrophobicContact CZ-CD1 4.22Å; I331-L334 HydrophobicContact CG2-CB 4.13Å; L334-I341 HydrophobicContact CD1-CD1 3.96Å; L334-I341 HydrophobicContact CD2-CD1 3.69Å; L334-I341 HydrophobicContact CG-CD1 3.77Å; L334-L350 HydrophobicContact CD2-CD1 3.63Å; L334-L350 HydrophobicContact CD2-CD2 3.6Å; L334-L350 HydrophobicContact CD2-CG 4.25Å; L334-L352 HydrophobicContact CD2-CD2 4.35Å
335	V	98.1	Very high	95.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	144	169.3	-170.1	0	0	0	0	108.6	V287 A295 V298 F302 V312 C313 F314 I333	V287-V335 HydrophobicContact CB-CB 4.38Å; V287-V335 HydrophobicContact CB-CG1 4.12Å; V287-V335 HydrophobicContact CB-CG2 4.16Å; V287-V335 HydrophobicContact CG1-CG1 4.23Å; V287-V335 HydrophobicContact CG2-CG2 4.38Å; V287-V335 CarbonylContact O-C 3.54Å; V287-V335 WeakPolarHBondContact O-CA 3.43Å; A295-V335 HydrophobicContact CB-CG1 4.04Å; A295-V335 WeakPolarHBondContact O-CG1 3.34Å; V298-V335 HydrophobicContact CB-CG1 4.12Å; V298-V335 HydrophobicContact CG1-CG1 4.12Å; V298-V335 HydrophobicContact CG1-CG2 4.4Å; F302-V335 HydrophobicContact CD2-CG2 4.18Å; F302-V335 HydrophobicContact CE2-CG2 4.48Å; V312-V335 PolarHBondContact O-N 2.99Å; C313-V335 CarbonylContact C-O 3.41Å; C313-V335 VanDerWaalsContact CA-O 3.25Å; C313-V335 WeakPolarHBondContact CA-O 3.23Å; F314-V335 PolarHBondContact N-O 3.1Å; I333-V335 HydrophobicContact CG2-CG2 4.29Å
336	G	96.4	Very high	95.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	173.5	175.7	0	0	0	0	0	117.1	V287 L288 A289 F314	V287-G336 PolarHBondContact O-N 3.14Å; L288-G336 WeakPolarHBondContact CA-O 3.46Å; A289-G336 PolarHBondContact N-O 3.13Å; F314-G336 CarbonylContact O-C 3.53Å; F314-G336 WeakPolarHBondContact O-CA 3.48Å
337	T	94.8	Very high	95.1	Very high	13 Å²	13	31.1 Å²	31.1	8%	0.08	16%	0.155	C	C	.	.			trans	-90	137.9	173.3	57.6	0	0	0	0	110.6	A289 R292 F314 Y315 G339 R340 I341	A289-T337 WeakPolarHBondContact O-CA 3.35Å; R292-T337 HydrophobicContact CB-CG2 4.41Å; R292-T337 HydrophobicContact CG-CG2 4.12Å; F314-T337 PolarHBondContact O-N 3.44Å; F314-T337 VanDerWaalsContact O-N 3.07Å; Y315-T337 WeakPolarHBondContact CA-OG1 3.42Å; T337-G339 PolarHBondContact O-N 2.93Å; T337-R340 PolarHBondContact O-N 3.36Å; T337-R340 VanDerWaalsContact O-N 3.16Å; T337-I341 PolarHBondContact O-N 3.35Å
338	P	94.2	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-43	-57.7	-175.3	-33.1	36	0	0	0	114.7	A289 R340 I341 K342 M366 F371 Q374 V375 I378	A289-P338 WeakPolarHBondContact O-CD 3.44Å; P338-R340 PolarHBondContact O-N 3.25Å; P338-I341 WeakPolarHBondContact O-CA 3.39Å; P338-I341 WeakPolarHBondContact O-CB 3.44Å; P338-I341 PolarHBondContact O-N 2.98Å; P338-K342 PolarHBondContact O-N 3.15Å; P338-M366 HydrophobicContact CG-SD 4.09Å; P338-F371 HydrophobicContact CB-CB 4.18Å; P338-F371 HydrophobicContact CB-CG 4.32Å; P338-F371 HydrophobicContact CG-CB 4.06Å; P338-F371 HydrophobicContact CG-CD2 4.3Å; P338-F371 HydrophobicContact CG-CG 4.18Å; P338-Q374 HydrophobicContact CB-CB 4.03Å; P338-V375 HydrophobicContact CB-CG2 4.35Å; P338-V375 HydrophobicContact CG-CG2 3.96Å; P338-I378 HydrophobicContact CB-CD1 4.03Å; P338-I378 WeakPolarHBondContact O-CD1 3.35Å
339	G	94.1	Very high	94.8	Very high	24 Å²	24	35 Å²	35	25%	0.247	18%	0.181	C	C	.	.	H	α-helix	trans	-50.1	-48.6	-178.4	0	0	0	0	0	114.9	T337 I341 K342 D343 Q374	T337-G339 PolarHBondContact O-N 2.93Å; G339-I341 PolarHBondContact O-N 3.22Å; G339-K342 WeakPolarHBondContact O-CB 3.46Å; G339-K342 PolarHBondContact O-N 2.84Å; G339-D343 VanDerWaalsContact O-CG 3.25Å; G339-D343 PolarHBondContact O-N 2.7Å; G339-Q374 VanDerWaalsContact CA-OE1 3.31Å; G339-Q374 VanDerWaalsContact N-OE1 3.12Å
340	R	95.2	Very high	94.9	Very high	14 Å²	14	31.1 Å²	31.1	5%	0.053	16%	0.161	C	C	.	.	H	α-helix	trans	-74.4	-24.8	179.4	-179.1	54.1	65.4	86.5	-3.5	113.6	F314 Y315 S318 Y320 Q323 T337 P338 D343 H344	F314-R340 HydrophobicContact CB-CG 4.16Å; Y315-R340 PolarHBondContact O-NH1 2.76Å; S318-R340 PolarHBondContact O-NH1 3.23Å; S318-R340 PolarHBondContact O-NH2 2.89Å; Y320-R340 VanDerWaalsContact CE1-NE 3.27Å; Y320-R340 PolarHBondContact OH-NE 2.78Å; Y320-R340 PolarHBondContact OH-NH2 3.41Å; Q323-R340 VanDerWaalsContact OE1-CD 3.29Å; T337-R340 PolarHBondContact O-N 3.36Å; T337-R340 VanDerWaalsContact O-N 3.16Å; P338-R340 PolarHBondContact O-N 3.25Å; R340-D343 WeakPolarHBondContact CA-OD2 3.44Å; R340-D343 VanDerWaalsContact CD-OD2 3.26Å; R340-D343 WeakPolarHBondContact CD-OD2 3.49Å; R340-D343 IonicContact CZ-OD2 3.68Å; R340-D343 IonicContact NE-OD2 3.97Å; R340-D343 PolarHBondContact NE-OD2 2.97Å; R340-H344 PolarHBondContact O-CD2 2.84Å; R340-H344 VanDerWaalsContact O-CD2 3.24Å; R340-H344 PolarHBondContact O-N 2.87Å
341	I	96.7	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-42.9	170.3	-62.4	-69.7	0	0	0	109.5	L286 L288 F314 L334 T337 P338 G339 H344 L345 L350 L352 I378	L286-I341 HydrophobicContact CD1-CD1 4.19Å; L286-I341 HydrophobicContact CD1-CG2 4.4Å; L288-I341 HydrophobicContact CD2-CB 4.34Å; L288-I341 HydrophobicContact CD2-CG1 3.92Å; L288-I341 HydrophobicContact CD2-CG2 4.38Å; F314-I341 HydrophobicContact CB-CD1 4.04Å; F314-I341 HydrophobicContact CD2-CD1 4.33Å; L334-I341 HydrophobicContact CD1-CD1 3.96Å; L334-I341 HydrophobicContact CD2-CD1 3.69Å; L334-I341 HydrophobicContact CG-CD1 3.77Å; T337-I341 PolarHBondContact O-N 3.35Å; P338-I341 WeakPolarHBondContact O-CA 3.39Å; P338-I341 WeakPolarHBondContact O-CB 3.44Å; P338-I341 PolarHBondContact O-N 2.98Å; G339-I341 PolarHBondContact O-N 3.22Å; I341-H344 PolarHBondContact O-N 3.42Å; I341-L345 PolarHBondContact O-N 2.87Å; I341-L350 HydrophobicContact CD1-CD2 4.44Å; I341-L350 HydrophobicContact CG2-CD2 4.05Å; I341-L352 HydrophobicContact CG2-CD1 4.3Å; I341-I378 HydrophobicContact CB-CD1 3.96Å; I341-I378 HydrophobicContact CG2-CD1 3.91Å; I341-I378 HydrophobicContact CG2-CG1 4.07Å; I341-I378 HydrophobicContact CG2-CG2 3.83Å
342	K	95.4	Very high	94.8	Very high	39 Å²	39	34.7 Å²	34.7	17%	0.17	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-46.8	173.4	178.7	173.9	169.5	170.1	0	112.2	P338 G339 H344 L345 E346 Q374 E377 I378	P338-K342 PolarHBondContact O-N 3.15Å; G339-K342 WeakPolarHBondContact O-CB 3.46Å; G339-K342 PolarHBondContact O-N 2.84Å; K342-H344 VanDerWaalsContact C-N 3.28Å; K342-H344 PolarHBondContact O-N 2.78Å; K342-L345 WeakPolarHBondContact O-CB 3.32Å; K342-L345 PolarHBondContact O-N 2.7Å; K342-E346 WeakPolarHBondContact CE-OE1 3.27Å; K342-E346 HydrophobicContact CG-CG 4.06Å; K342-E346 IonicContact NZ-OE1 2.89Å; K342-E346 PolarHBondContact NZ-OE1 3.45Å; K342-E346 PolarHBondContact O-N 3.08Å; K342-Q374 HydrophobicContact CD-CG 4.45Å; K342-E377 WeakPolarHBondContact CE-OE2 3.49Å; K342-E377 IonicContact NZ-OE1 3.52Å; K342-E377 PolarHBondContact NZ-OE1 2.97Å; K342-E377 IonicContact NZ-OE2 2.65Å; K342-E377 PolarHBondContact NZ-OE2 3.09Å; K342-I378 HydrophobicContact CB-CD1 4.31Å; K342-I378 HydrophobicContact CB-CG1 4.24Å
343	D	95.3	Very high	94.7	Very high	46 Å²	46	39.4 Å²	39.4	25%	0.246	21%	0.208	C	C	.	.	H	α-helix	trans	-47.6	-49.7	176.7	-66.3	-22.6	0	0	0	111.5	Y320 G339 R340 N347	Y320-D343 HydrophobicContact CE1-CB 4.24Å; Y320-D343 PolarHBondContact OH-OD2 2.91Å; G339-D343 VanDerWaalsContact O-CG 3.25Å; G339-D343 PolarHBondContact O-N 2.7Å; R340-D343 WeakPolarHBondContact CA-OD2 3.44Å; R340-D343 VanDerWaalsContact CD-OD2 3.26Å; R340-D343 WeakPolarHBondContact CD-OD2 3.49Å; R340-D343 IonicContact CZ-OD2 3.68Å; R340-D343 IonicContact NE-OD2 3.97Å; R340-D343 PolarHBondContact NE-OD2 2.97Å; D343-N347 WeakPolarHBondContact O-CB 3.36Å; D343-N347 PolarHBondContact O-N 3.06Å; D343-N347 VanDerWaalsContact O-N 3.11Å; D343-N347 PolarHBondContact O-ND2 3.31Å
344	H	95.8	Very high	94.4	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-74.9	-24.7	-177.6	-76	-71.1	0	0	0	113.7	F314 Y320 Q323 R340 I341 K342 K349 L350	F314-H344 AromaticContact CD2-CD2 3.88Å; Y320-H344 AromaticContact CD1-CE1 3.81Å; Q323-H344 PolarHBondContact OE1-NE2 3.17Å; R340-H344 PolarHBondContact O-CD2 2.84Å; R340-H344 VanDerWaalsContact O-CD2 3.24Å; R340-H344 PolarHBondContact O-N 2.87Å; I341-H344 PolarHBondContact O-N 3.42Å; K342-H344 VanDerWaalsContact C-N 3.28Å; K342-H344 PolarHBondContact O-N 2.78Å; H344-K349 PolarHBondContact O-N 3.34Å; H344-L350 HydrophobicContact CB-CB 3.67Å; H344-L350 HydrophobicContact CB-CD2 4.29Å; H344-L350 PolarHBondContact O-N 3.48Å
345	L	94	Very high	94.2	Very high	38 Å²	38	46.8 Å²	46.8	20%	0.199	24%	0.241	C	C	.	.	H	α-helix	trans	-74.7	-49.9	176.2	-173.3	67.3	0	0	0	110.3	I341 K342 N347 N348 L352	I341-L345 PolarHBondContact O-N 2.87Å; K342-L345 WeakPolarHBondContact O-CB 3.32Å; K342-L345 PolarHBondContact O-N 2.7Å; L345-N347 VanDerWaalsContact C-N 3.34Å; L345-N347 PolarHBondContact O-N 3.34Å; L345-N348 WeakPolarHBondContact O-CA 3.44Å; L345-N348 PolarHBondContact O-N 2.86Å; L345-L352 HydrophobicContact CD1-CD1 4.41Å; L345-L352 HydrophobicContact CD1-CG 4.48Å
346	E	93.4	Very high	94	Very high	113 Å²	113	51.1 Å²	51.1	53%	0.528	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-41.1	175.4	-68.7	-177.8	137.7	0	0	111.9	K342 N348	K342-E346 WeakPolarHBondContact CE-OE1 3.27Å; K342-E346 HydrophobicContact CG-CG 4.06Å; K342-E346 IonicContact NZ-OE1 2.89Å; K342-E346 PolarHBondContact NZ-OE1 3.45Å; K342-E346 PolarHBondContact O-N 3.08Å; E346-N348 PolarHBondContact O-N 3.29Å; E346-N348 VanDerWaalsContact O-N 3.1Å; E346-N348 PolarHBondContact O-ND2 3.42Å
347	N	92.5	Very high	94	Very high	98 Å²	98	51.4 Å²	51.4	52%	0.524	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	6.5	175.3	-77	-81.8	0	0	0	114.2	D343 L345 K349	D343-N347 WeakPolarHBondContact O-CB 3.36Å; D343-N347 PolarHBondContact O-N 3.06Å; D343-N347 VanDerWaalsContact O-N 3.11Å; D343-N347 PolarHBondContact O-ND2 3.31Å; L345-N347 VanDerWaalsContact C-N 3.34Å; L345-N347 PolarHBondContact O-N 3.34Å; N347-K349 HydrophobicContact CB-CG 4.14Å; N347-K349 WeakPolarHBondContact O-CD 3.46Å; N347-K349 VanDerWaalsContact O-CE 3.3Å; N347-K349 WeakPolarHBondContact O-CE 3.45Å; N347-K349 PolarHBondContact O-N 3.15Å; N347-K349 PolarHBondContact O-NZ 3.07Å; N347-K349 VanDerWaalsContact O-NZ 3.08Å
348	N	91	Very high	94.1	Very high	144 Å²	144	50.8 Å²	50.8	77%	0.77	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	38.6	178.5	-72.7	-101.6	0	0	0	112.5	L345 E346	L345-N348 WeakPolarHBondContact O-CA 3.44Å; L345-N348 PolarHBondContact O-N 2.86Å; E346-N348 PolarHBondContact O-N 3.29Å; E346-N348 VanDerWaalsContact O-N 3.1Å; E346-N348 PolarHBondContact O-ND2 3.42Å
349	K	92.3	Very high	94.2	Very high	110 Å²	110	50.8 Å²	50.8	48%	0.478	26%	0.258	S	S	.	.			trans	-99.5	-44.5	175.3	-53.7	-50.2	175.8	-135.9	0	111.1	I327 H344 N347	I327-K349 HydrophobicContact CD1-CB 4.08Å; I327-K349 WeakPolarHBondContact CG2-O 3.22Å; H344-K349 PolarHBondContact O-N 3.34Å; N347-K349 HydrophobicContact CB-CG 4.14Å; N347-K349 WeakPolarHBondContact O-CD 3.46Å; N347-K349 VanDerWaalsContact O-CE 3.3Å; N347-K349 WeakPolarHBondContact O-CE 3.45Å; N347-K349 PolarHBondContact O-N 3.15Å; N347-K349 PolarHBondContact O-NZ 3.07Å; N347-K349 VanDerWaalsContact O-NZ 3.08Å
350	L	94.9	Very high	94.2	Very high	8 Å²	8	50 Å²	50	4%	0.042	25%	0.248	C	C	.	.			trans	-93	130	-179.3	177.2	61.2	0	0	0	110.5	P283 I327 L334 I341 H344 L352	P283-L350 HydrophobicContact CG-CD1 4.31Å; I327-L350 HydrophobicContact CD1-CB 4.2Å; L334-L350 HydrophobicContact CD2-CD1 3.63Å; L334-L350 HydrophobicContact CD2-CD2 3.6Å; L334-L350 HydrophobicContact CD2-CG 4.25Å; I341-L350 HydrophobicContact CD1-CD2 4.44Å; I341-L350 HydrophobicContact CG2-CD2 4.05Å; H344-L350 HydrophobicContact CB-CB 3.67Å; H344-L350 HydrophobicContact CB-CD2 4.29Å; H344-L350 PolarHBondContact O-N 3.48Å; L350-L352 HydrophobicContact CD1-CD2 3.89Å; L350-L352 HydrophobicContact CD2-CD1 4.45Å; L350-L352 HydrophobicContact CD2-CD2 3.95Å; L350-L352 HydrophobicContact CD2-CG 4.29Å; L350-L352 HydrophobicContact CG-CD2 3.79Å; L350-L352 HydrophobicContact CG-CG 4.06Å
351	N	93.6	Very high	94.1	Very high	77 Å²	77	49.5 Å²	49.5	41%	0.412	25%	0.246	S	C	.	.			trans	-112.3	117.9	174.9	-179.6	-4.6	0	0	0	109.7	P282 T353	P282-N351 HydrophobicContact CB-CB 4.38Å; P282-N351 VanDerWaalsContact CB-O 3.23Å; P282-N351 WeakPolarHBondContact CB-O 3.47Å; N351-T353 WeakPolarHBondContact OD1-CB 3.3Å; N351-T353 WeakPolarHBondContact OD1-CG2 3.46Å; N351-T353 PolarHBondContact OD1-N 3.48Å; N351-T353 PolarHBondContact OD1-OG1 3.12Å
352	L	94.4	Very high	93.6	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.249	C	C	.	.			trans	-104.4	-2.4	-179.5	-59.6	-180	0	0	0	113.7	P283 L286 L334 I341 L345 L350 K354 L355 I378 S382	P283-L352 HydrophobicContact CG-CD2 3.79Å; L286-L352 HydrophobicContact CD2-CD1 4.25Å; L334-L352 HydrophobicContact CD2-CD2 4.35Å; I341-L352 HydrophobicContact CG2-CD1 4.3Å; L345-L352 HydrophobicContact CD1-CD1 4.41Å; L345-L352 HydrophobicContact CD1-CG 4.48Å; L350-L352 HydrophobicContact CD1-CD2 3.89Å; L350-L352 HydrophobicContact CD2-CD1 4.45Å; L350-L352 HydrophobicContact CD2-CD2 3.95Å; L350-L352 HydrophobicContact CD2-CG 4.29Å; L350-L352 HydrophobicContact CG-CD2 3.79Å; L350-L352 HydrophobicContact CG-CG 4.06Å; L352-K354 PolarHBondContact O-N 3.08Å; L352-L355 HydrophobicContact CB-CD1 3.91Å; L352-L355 HydrophobicContact CB-CG 4.32Å; L352-L355 HydrophobicContact CD2-CD1 4.21Å; L352-L355 HydrophobicContact CG-CD1 4.47Å; L352-L355 VanDerWaalsContact O-CG 3.3Å; L352-L355 WeakPolarHBondContact O-CG 3.48Å; L352-L355 PolarHBondContact O-N 3.3Å; L352-I378 HydrophobicContact CD1-CG2 3.9Å; L352-S382 WeakPolarHBondContact CB-OG 3.4Å; L352-S382 PolarHBondContact O-OG 2.67Å
353	T	91.3	Very high	93.1	Very high	99 Å²	99	48.4 Å²	48.4	61%	0.607	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-2.7	-174.4	62.4	0	0	0	0	115.9	N351	N351-T353 WeakPolarHBondContact OD1-CB 3.3Å; N351-T353 WeakPolarHBondContact OD1-CG2 3.46Å; N351-T353 PolarHBondContact OD1-N 3.48Å; N351-T353 PolarHBondContact OD1-OG1 3.12Å
354	K	91.1	Very high	92.5	Very high	141 Å²	141	46.5 Å²	46.5	61%	0.613	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.2	16.9	177.5	-57.1	-162.5	-175.3	-177.1	0	113.8	P282 L352 K356	P282-K354 HydrophobicContact CG-CB 3.89Å; P282-K354 HydrophobicContact CG-CD 3.8Å; P282-K354 HydrophobicContact CG-CG 3.99Å; L352-K354 PolarHBondContact O-N 3.08Å; K354-K356 PolarHBondContact O-N 2.7Å
355	L	94.3	Very high	91.8	Very high	15 Å²	15	47 Å²	47	8%	0.079	23%	0.234	C	C	.	.			trans	-58.6	134.6	171.2	-73.7	173.5	0	0	0	110.5	P283 L286 L352 V358 P391	P283-L355 HydrophobicContact CB-CD2 4.2Å; P283-L355 HydrophobicContact CG-CD2 4.25Å; L286-L355 HydrophobicContact CB-CD1 3.72Å; L286-L355 HydrophobicContact CB-CD2 3.71Å; L286-L355 HydrophobicContact CB-CG 4.4Å; L286-L355 HydrophobicContact CD2-CD1 4.05Å; L352-L355 HydrophobicContact CB-CD1 3.91Å; L352-L355 HydrophobicContact CB-CG 4.32Å; L352-L355 HydrophobicContact CD2-CD1 4.21Å; L352-L355 HydrophobicContact CG-CD1 4.47Å; L352-L355 VanDerWaalsContact O-CG 3.3Å; L352-L355 WeakPolarHBondContact O-CG 3.48Å; L352-L355 PolarHBondContact O-N 3.3Å; L355-V358 HydrophobicContact CD1-CG2 4.02Å; L355-P391 HydrophobicContact CB-CB 4.26Å; L355-P391 HydrophobicContact CB-CG 4.45Å
356	K	93.9	Very high	91.3	Very high	90 Å²	90	45.2 Å²	45.2	39%	0.391	23%	0.225	S	C	.	.	S	Bend	trans	-98	-26.5	167.4	-74.1	-173.1	169.6	-172.6	0	111.9	D273 K284 K354 P391 Q392	D273-K356 IonicContact OD1-NZ 2.72Å; D273-K356 PolarHBondContact OD1-NZ 3.34Å; D273-K356 IonicContact OD2-NZ 2.69Å; D273-K356 PolarHBondContact OD2-NZ 3.19Å; K284-K356 PolarHBondContact O-N 2.87Å; K354-K356 PolarHBondContact O-N 2.7Å; K356-P391 VanDerWaalsContact C-CB 3.46Å; K356-P391 CarbonylContact O-C 3.44Å; K356-P391 WeakPolarHBondContact O-CA 3.03Å; K356-P391 WeakPolarHBondContact O-CB 3.47Å; K356-Q392 PolarHBondContact O-N 2.84Å
357	H	96.1	Very high	90.7	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.032	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.2	-174.7	-40.9	-83.5	0	0	0	111.5	L266 K284 V285 L286 Q392	L266-H357 HydrophobicContact CD2-CB 3.86Å; K284-H357 PolarHBondContact O-N 2.84Å; K284-H357 VanDerWaalsContact O-N 3.1Å; V285-H357 WeakPolarHBondContact CA-O 3.49Å; V285-H357 HydrophobicContact CG2-CB 4.1Å; L286-H357 PolarHBondContact N-O 2.89Å; H357-Q392 CarbonylContact C-O 3.51Å; H357-Q392 WeakPolarHBondContact CA-O 3.45Å; H357-Q392 PolarHBondContact CE1-OE1 3.17Å; H357-Q392 PolarHBondContact ND1-OE1 3.17Å
358	V	96.5	Very high	90	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.9	172.2	178.6	0	0	0	0	109.6	L286 L355 L360 L379 Y383 P391 Q392 L394	L286-V358 HydrophobicContact CB-CG2 4.42Å; L286-V358 CarbonylContact O-C 3.54Å; L286-V358 WeakPolarHBondContact O-CA 3.48Å; L355-V358 HydrophobicContact CD1-CG2 4.02Å; V358-L360 HydrophobicContact CG1-CD2 4.19Å; V358-L379 HydrophobicContact CG1-CD2 3.75Å; V358-L379 HydrophobicContact CG2-CD2 4.49Å; V358-Y383 HydrophobicContact CG2-CE2 3.99Å; V358-P391 HydrophobicContact CG2-CB 4.2Å; V358-P391 HydrophobicContact CG2-CG 3.94Å; V358-Q392 PolarHBondContact N-O 2.91Å; V358-L394 WeakPolarHBondContact O-CB 2.81Å; V358-L394 PolarHBondContact O-N 2.94Å
359	V	96.6	Very high	89.3	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.3	172.1	-175.2	0	0	0	0	109.8	F262 L266 L286 V287 L288 L394 F396	F262-V359 HydrophobicContact CB-CG2 4.32Å; F262-V359 HydrophobicContact CD1-CG1 3.99Å; F262-V359 HydrophobicContact CD2-CG1 4Å; F262-V359 HydrophobicContact CD2-CG2 4.04Å; F262-V359 HydrophobicContact CE1-CG1 3.98Å; F262-V359 HydrophobicContact CE2-CG1 4.02Å; F262-V359 HydrophobicContact CG-CG1 3.98Å; F262-V359 HydrophobicContact CG-CG2 4.26Å; F262-V359 HydrophobicContact CZ-CG1 3.99Å; L266-V359 HydrophobicContact CD1-CG2 3.76Å; L286-V359 PolarHBondContact O-N 2.83Å; V287-V359 WeakPolarHBondContact CA-O 3.36Å; V287-V359 HydrophobicContact CB-CB 4.24Å; V287-V359 HydrophobicContact CG1-CB 3.95Å; V287-V359 HydrophobicContact CG1-CG1 4.14Å; V287-V359 HydrophobicContact CG2-CB 3.94Å; V287-V359 HydrophobicContact CG2-CG2 4.04Å; L288-V359 PolarHBondContact N-O 2.67Å; V359-L394 CarbonylContact C-O 3.59Å; V359-L394 VanDerWaalsContact CA-O 3.29Å; V359-L394 WeakPolarHBondContact CA-O 3.49Å; V359-L394 HydrophobicContact CB-CB 4.49Å; V359-L394 HydrophobicContact CG2-CB 4.07Å; V359-L394 HydrophobicContact CG2-CD1 3.98Å; V359-F396 HydrophobicContact CG1-CD2 4.35Å
360	L	94.3	Very high	88.9	Confident	7 Å²	7	35 Å²	35	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	100.9	168.5	-54.6	-179.4	0	0	0	108	L288 V358 V363 M366 V375 L394 F396	L288-L360 HydrophobicContact CB-CD2 4.04Å; L288-L360 HydrophobicContact CD1-CD2 3.95Å; L288-L360 HydrophobicContact CG-CD2 4.34Å; V358-L360 HydrophobicContact CG1-CD2 4.19Å; L360-V363 HydrophobicContact CB-CB 4.05Å; L360-V363 HydrophobicContact CB-CG2 4.1Å; L360-V363 HydrophobicContact CD1-CG2 4.18Å; L360-M366 HydrophobicContact CB-CE 3.75Å; L360-M366 HydrophobicContact CD2-CE 4.02Å; L360-M366 HydrophobicContact CG-CE 4.44Å; L360-V375 HydrophobicContact CD2-CG1 4.35Å; L360-L394 PolarHBondContact N-O 2.91Å; L360-F396 PolarHBondContact O-N 3.02Å
361	D	92.5	Very high	88.4	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.9	179.6	-165.2	13.7	0	0	0	111	K258 F262 L288 P290 V363	K258-D361 IonicContact NZ-OD1 2.8Å; F262-D361 HydrophobicContact CE1-CB 4.4Å; F262-D361 HydrophobicContact CZ-CB 4.29Å; L288-D361 PolarHBondContact O-N 3.49Å; L288-D361 VanDerWaalsContact O-N 3.11Å; P290-D361 WeakPolarHBondContact CD-O 3.44Å; D361-V363 PolarHBondContact O-N 3.2Å
362	E	87.4	Confident	88	Confident	12 Å²	12	34.1 Å²	34.1	6%	0.056	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	45.3	-167	-56.5	-158.3	133.9	0	0	112.1	P290 L294 D364 Q365 M366 F396 G522 H545	P290-E362 HydrophobicContact CG-CB 3.93Å; L294-E362 HydrophobicContact CD2-CB 4.28Å; L294-E362 HydrophobicContact CD2-CG 4.03Å; E362-D364 VanDerWaalsContact C-N 3.25Å; E362-D364 PolarHBondContact O-N 3.14Å; E362-Q365 HydrophobicContact CB-CB 4.47Å; E362-Q365 WeakPolarHBondContact O-CA 3.44Å; E362-Q365 WeakPolarHBondContact O-CB 3.36Å; E362-Q365 PolarHBondContact O-N 2.83Å; E362-M366 PolarHBondContact O-N 3.21Å; E362-M366 VanDerWaalsContact O-N 3.13Å; E362-F396 PolarHBondContact N-O 3.47Å; E362-G522 WeakPolarHBondContact OE2-CA 3.42Å; E362-G522 PolarHBondContact OE2-N 2.9Å; E362-H545 IonicContact OE1-CE1 2.7Å; E362-H545 PolarHBondContact OE1-CE1 2.81Å; E362-H545 IonicContact OE1-ND1 3.43Å; E362-H545 PolarHBondContact OE1-ND1 3.09Å
363	V	83.6	Confident	87.7	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-56.6	-32.9	-175.3	61.8	0	0	0	0	114.3	L360 D361 Q365 M366 L367 L395 V404	L360-V363 HydrophobicContact CB-CB 4.05Å; L360-V363 HydrophobicContact CB-CG2 4.1Å; L360-V363 HydrophobicContact CD1-CG2 4.18Å; D361-V363 PolarHBondContact O-N 3.2Å; V363-Q365 VanDerWaalsContact C-N 3.31Å; V363-Q365 PolarHBondContact O-N 3.2Å; V363-M366 HydrophobicContact CB-CE 4.15Å; V363-M366 HydrophobicContact CG2-CE 4.3Å; V363-M366 WeakPolarHBondContact O-CB 3.4Å; V363-M366 PolarHBondContact O-N 3Å; V363-M366 VanDerWaalsContact O-N 3.1Å; V363-L367 HydrophobicContact CG2-CD1 4.21Å; V363-L367 HydrophobicContact CG2-CG 4.36Å; V363-L367 WeakPolarHBondContact O-CG 3.26Å; V363-L367 PolarHBondContact O-N 3.39Å; V363-L395 HydrophobicContact CB-CG 4.34Å; V363-L395 HydrophobicContact CG1-CD1 3.92Å; V363-L395 HydrophobicContact CG1-CD2 3.52Å; V363-L395 HydrophobicContact CG1-CG 3.55Å; V363-V404 HydrophobicContact CG1-CG1 3.68Å; V363-V404 HydrophobicContact CG2-CG1 4.35Å
364	D	83.4	Confident	87.7	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-39.3	176.7	61.6	-55.4	0	0	0	110.9	E362 D368 S397 T399 V404 R521 H545	E362-D364 VanDerWaalsContact C-N 3.25Å; E362-D364 PolarHBondContact O-N 3.14Å; D364-D368 WeakPolarHBondContact O-CB 3.33Å; D364-D368 PolarHBondContact O-N 3.4Å; D364-S397 VanDerWaalsContact CG-OG 3.25Å; D364-S397 PolarHBondContact OD1-OG 3.36Å; D364-T399 VanDerWaalsContact CB-O 3.3Å; D364-T399 WeakPolarHBondContact CB-O 3.15Å; D364-T399 PolarHBondContact OD2-OG1 2.84Å; D364-V404 HydrophobicContact CB-CG2 3.86Å; D364-R521 IonicContact OD1-NH1 3.1Å; D364-R521 IonicContact OD2-CZ 3.68Å; D364-R521 IonicContact OD2-NH1 2.86Å; D364-R521 PolarHBondContact OD2-NH1 2.86Å; D364-H545 IonicContact OD2-NE2 3.34Å
365	Q	81.2	Confident	87.7	Confident	15 Å²	15	31.3 Å²	31.3	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-40.4	169.5	-175.8	-172.3	2.3	0	0	111.7	P290 E362 V363 L367 D368 M369 R521	P290-Q365 HydrophobicContact CB-CB 4.07Å; P290-Q365 VanDerWaalsContact CB-CD 3.48Å; P290-Q365 HydrophobicContact CB-CG 3.72Å; P290-Q365 HydrophobicContact CG-CB 4.02Å; P290-Q365 HydrophobicContact CG-CG 4.02Å; E362-Q365 HydrophobicContact CB-CB 4.47Å; E362-Q365 WeakPolarHBondContact O-CA 3.44Å; E362-Q365 WeakPolarHBondContact O-CB 3.36Å; E362-Q365 PolarHBondContact O-N 2.83Å; V363-Q365 VanDerWaalsContact C-N 3.31Å; V363-Q365 PolarHBondContact O-N 3.2Å; Q365-L367 VanDerWaalsContact C-N 3.27Å; Q365-L367 PolarHBondContact O-N 2.91Å; Q365-D368 PolarHBondContact O-N 3Å; Q365-M369 HydrophobicContact CG-CG 3.95Å; Q365-M369 HydrophobicContact CG-SD 3.67Å; Q365-M369 PolarHBondContact NE2-SD 2.87Å; Q365-M369 VanDerWaalsContact O-CB 3.31Å; Q365-M369 WeakPolarHBondContact O-CB 3.41Å; Q365-M369 VanDerWaalsContact O-CG 3.29Å; Q365-M369 WeakPolarHBondContact O-CG 3.41Å; Q365-M369 PolarHBondContact O-N 3.18Å; Q365-R521 VanDerWaalsContact OE1-CD 3.25Å
366	M	83.3	Confident	87.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.4	-44.5	-179.8	-71.2	-161.8	-79.6	0	0	111.5	L288 P290 P338 L360 E362 V363 F371 V375	L288-M366 HydrophobicContact CB-CE 4.08Å; L288-M366 HydrophobicContact CB-SD 3.84Å; P290-M366 HydrophobicContact CB-CG 3.69Å; P290-M366 HydrophobicContact CG-CG 4.11Å; P338-M366 HydrophobicContact CG-SD 4.09Å; L360-M366 HydrophobicContact CB-CE 3.75Å; L360-M366 HydrophobicContact CD2-CE 4.02Å; L360-M366 HydrophobicContact CG-CE 4.44Å; E362-M366 PolarHBondContact O-N 3.21Å; E362-M366 VanDerWaalsContact O-N 3.13Å; V363-M366 HydrophobicContact CB-CE 4.15Å; V363-M366 HydrophobicContact CG2-CE 4.3Å; V363-M366 WeakPolarHBondContact O-CB 3.4Å; V363-M366 PolarHBondContact O-N 3Å; V363-M366 VanDerWaalsContact O-N 3.1Å; M366-F371 WeakPolarHBondContact O-CA 3.42Å; M366-F371 VanDerWaalsContact O-CB 3.23Å; M366-F371 WeakPolarHBondContact O-CB 3.45Å; M366-F371 WeakPolarHBondContact O-CD2 3.08Å; M366-F371 PolarHBondContact O-N 2.88Å; M366-V375 HydrophobicContact SD-CG2 4.47Å
367	L	81.3	Confident	87.2	Confident	16 Å²	16	33.2 Å²	33.2	8%	0.084	18%	0.182	C	C	.	.	H	α-helix	trans	-78	-36.1	-178.5	-53.9	175.8	0	0	0	112.1	V363 Q365 M369 G370 A372 W403 V404 V407	V363-L367 HydrophobicContact CG2-CD1 4.21Å; V363-L367 HydrophobicContact CG2-CG 4.36Å; V363-L367 WeakPolarHBondContact O-CG 3.26Å; V363-L367 PolarHBondContact O-N 3.39Å; Q365-L367 VanDerWaalsContact C-N 3.27Å; Q365-L367 PolarHBondContact O-N 2.91Å; L367-M369 VanDerWaalsContact C-N 3.34Å; L367-M369 PolarHBondContact O-N 3.19Å; L367-G370 PolarHBondContact O-N 3Å; L367-A372 HydrophobicContact CD2-CB 3.76Å; L367-W403 HydrophobicContact CB-CE3 4.5Å; L367-W403 HydrophobicContact CB-CH2 3.95Å; L367-W403 HydrophobicContact CB-CZ3 3.44Å; L367-W403 VanDerWaalsContact CB-CZ3 3.44Å; L367-W403 HydrophobicContact CD1-CZ3 4.18Å; L367-W403 HydrophobicContact CG-CZ3 4.46Å; L367-V404 HydrophobicContact CD1-CG1 4.46Å; L367-V404 HydrophobicContact CD1-CG2 4.25Å; L367-V407 HydrophobicContact CD1-CB 3.93Å; L367-V407 HydrophobicContact CD1-CG1 3.89Å; L367-V407 HydrophobicContact CD1-CG2 4.2Å; L367-V407 HydrophobicContact CD2-CG1 4.23Å
368	D	77.3	Confident	87	Confident	95 Å²	95	32.9 Å²	32.9	51%	0.508	18%	0.18	S	C	.	.	H	α-helix	trans	-61.5	-37.4	172.5	179.2	54.2	0	0	0	112.5	D364 Q365 G370 W403 R521	D364-D368 WeakPolarHBondContact O-CB 3.33Å; D364-D368 PolarHBondContact O-N 3.4Å; Q365-D368 PolarHBondContact O-N 3Å; D368-G370 PolarHBondContact O-N 3.16Å; D368-W403 HydrophobicContact CB-CH2 4.35Å; D368-R521 IonicContact OD2-NH2 3.64Å
369	M	76.1	Confident	86.7	Confident	92 Å²	92	33 Å²	33	45%	0.453	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	2.8	171.5	-71.2	-177.4	68.1	0	0	114	P290 Q365 L367 F371	P290-M369 HydrophobicContact CB-SD 4.05Å; Q365-M369 HydrophobicContact CG-CG 3.95Å; Q365-M369 HydrophobicContact CG-SD 3.67Å; Q365-M369 PolarHBondContact NE2-SD 2.87Å; Q365-M369 VanDerWaalsContact O-CB 3.31Å; Q365-M369 WeakPolarHBondContact O-CB 3.41Å; Q365-M369 VanDerWaalsContact O-CG 3.29Å; Q365-M369 WeakPolarHBondContact O-CG 3.41Å; Q365-M369 PolarHBondContact O-N 3.18Å; L367-M369 VanDerWaalsContact C-N 3.34Å; L367-M369 PolarHBondContact O-N 3.19Å; M369-F371 VanDerWaalsContact C-N 3.35Å; M369-F371 HydrophobicContact CB-CD2 3.86Å; M369-F371 HydrophobicContact CB-CE2 3.77Å; M369-F371 HydrophobicContact CB-CZ 4.4Å; M369-F371 HydrophobicContact CE-CE2 3.65Å; M369-F371 HydrophobicContact CE-CZ 3.81Å; M369-F371 HydrophobicContact CG-CE2 4.47Å; M369-F371 PolarHBondContact O-N 3.33Å; M369-F371 HydrophobicContact SD-CE2 3.92Å
370	G	83.4	Confident	86.3	Confident	47 Å²	47	35.5 Å²	35.5	49%	0.485	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	15.5	-179.8	0	0	0	0	0	114.7	L367 D368 A372	L367-G370 PolarHBondContact O-N 3Å; D368-G370 PolarHBondContact O-N 3.16Å; G370-A372 PolarHBondContact O-N 3.37Å
371	F	84.9	Confident	85.8	Confident	39 Å²	39	37 Å²	37	17%	0.171	22%	0.217	C	C	.	.			trans	-78.1	7.7	174.8	-56.3	-52.9	0	0	0	113.6	P290 P338 M366 M369 D373 Q374 V375	P290-F371 WeakPolarHBondContact O-CE2 3.26Å; P338-F371 HydrophobicContact CB-CB 4.18Å; P338-F371 HydrophobicContact CB-CG 4.32Å; P338-F371 HydrophobicContact CG-CB 4.06Å; P338-F371 HydrophobicContact CG-CD2 4.3Å; P338-F371 HydrophobicContact CG-CG 4.18Å; M366-F371 WeakPolarHBondContact O-CA 3.42Å; M366-F371 VanDerWaalsContact O-CB 3.23Å; M366-F371 WeakPolarHBondContact O-CB 3.45Å; M366-F371 WeakPolarHBondContact O-CD2 3.08Å; M366-F371 PolarHBondContact O-N 2.88Å; M369-F371 VanDerWaalsContact C-N 3.35Å; M369-F371 HydrophobicContact CB-CD2 3.86Å; M369-F371 HydrophobicContact CB-CE2 3.77Å; M369-F371 HydrophobicContact CB-CZ 4.4Å; M369-F371 HydrophobicContact CE-CE2 3.65Å; M369-F371 HydrophobicContact CE-CZ 3.81Å; M369-F371 HydrophobicContact CG-CE2 4.47Å; M369-F371 PolarHBondContact O-N 3.33Å; M369-F371 HydrophobicContact SD-CE2 3.92Å; F371-D373 PolarHBondContact O-N 3.35Å; F371-Q374 PolarHBondContact O-N 3.08Å; F371-V375 HydrophobicContact CB-CG2 4.44Å; F371-V375 WeakPolarHBondContact O-CG2 3.39Å; F371-V375 PolarHBondContact O-N 2.84Å
372	A	85.4	Confident	85.4	Confident	27 Å²	27	37.9 Å²	37.9	22%	0.223	22%	0.223	C	C	.	.	H	α-helix	trans	-49.5	-59.7	-179.3	0	0	0	0	0	112.2	L367 G370 Q374 V375 E376	L367-A372 HydrophobicContact CD2-CB 3.76Å; G370-A372 PolarHBondContact O-N 3.37Å; A372-Q374 VanDerWaalsContact C-N 3.31Å; A372-Q374 PolarHBondContact O-N 2.99Å; A372-V375 PolarHBondContact O-N 2.81Å; A372-V375 VanDerWaalsContact O-N 3.1Å; A372-E376 WeakPolarHBondContact O-CG 3.33Å; A372-E376 PolarHBondContact O-N 2.97Å
373	D	87.7	Confident	85.4	Confident	121 Å²	121	38.5 Å²	38.5	65%	0.647	23%	0.226	S	C	*	.	H	α-helix	trans	-57.8	-42.8	-179.8	-56.3	-13	0	0	0	111.9	F371 V375 E376 E377	F371-D373 PolarHBondContact O-N 3.35Å; D373-V375 VanDerWaalsContact C-N 3.33Å; D373-V375 PolarHBondContact O-N 2.73Å; D373-E376 PolarHBondContact O-N 3.02Å; D373-E377 WeakPolarHBondContact O-CG 3.42Å; D373-E377 PolarHBondContact O-N 3.15Å
374	Q	91.3	Very high	85.4	Confident	55 Å²	55	45 Å²	45	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-38.5	178.7	-60.7	179.3	23.5	0	0	112	P338 G339 K342 F371 A372 I378	P338-Q374 HydrophobicContact CB-CB 4.03Å; G339-Q374 VanDerWaalsContact CA-OE1 3.31Å; G339-Q374 VanDerWaalsContact N-OE1 3.12Å; K342-Q374 HydrophobicContact CD-CG 4.45Å; F371-Q374 PolarHBondContact O-N 3.08Å; A372-Q374 VanDerWaalsContact C-N 3.31Å; A372-Q374 PolarHBondContact O-N 2.99Å; Q374-I378 WeakPolarHBondContact O-CB 3.27Å; Q374-I378 WeakPolarHBondContact O-CD1 3.18Å; Q374-I378 WeakPolarHBondContact O-CG1 3.41Å; Q374-I378 PolarHBondContact O-N 2.89Å; Q374-I378 VanDerWaalsContact O-N 3.09Å
375	V	90.3	Very high	84.9	Confident	6 Å²	6	53.9 Å²	53.9	4%	0.036	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-45.8	173.9	173.1	0	0	0	0	109.9	L288 P338 L360 M366 F371 A372 D373 E377 I378 L379	L288-V375 HydrophobicContact CD1-CG1 4.32Å; L288-V375 HydrophobicContact CD1-CG2 4.21Å; P338-V375 HydrophobicContact CB-CG2 4.35Å; P338-V375 HydrophobicContact CG-CG2 3.96Å; L360-V375 HydrophobicContact CD2-CG1 4.35Å; M366-V375 HydrophobicContact SD-CG2 4.47Å; F371-V375 HydrophobicContact CB-CG2 4.44Å; F371-V375 WeakPolarHBondContact O-CG2 3.39Å; F371-V375 PolarHBondContact O-N 2.84Å; A372-V375 PolarHBondContact O-N 2.81Å; A372-V375 VanDerWaalsContact O-N 3.1Å; D373-V375 VanDerWaalsContact C-N 3.33Å; D373-V375 PolarHBondContact O-N 2.73Å; V375-E377 VanDerWaalsContact C-N 3.3Å; V375-E377 PolarHBondContact O-N 3.32Å; V375-I378 PolarHBondContact O-N 2.82Å; V375-L379 HydrophobicContact CG1-CD1 3.67Å; V375-L379 HydrophobicContact CG1-CG 4.06Å; V375-L379 WeakPolarHBondContact O-CB 3.41Å; V375-L379 VanDerWaalsContact O-CG 3.24Å; V375-L379 WeakPolarHBondContact O-CG 3.38Å; V375-L379 PolarHBondContact O-N 3.07Å
376	E	88.6	Confident	84.4	Confident	58 Å²	58	61.2 Å²	61.2	27%	0.271	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-37.1	179.2	-61.5	-152	174.4	0	0	112.5	A372 D373 G380 K410 Y411	A372-E376 WeakPolarHBondContact O-CG 3.33Å; A372-E376 PolarHBondContact O-N 2.97Å; D373-E376 PolarHBondContact O-N 3.02Å; E376-G380 PolarHBondContact O-N 2.64Å; E376-K410 VanDerWaalsContact CD-NZ 3.31Å; E376-K410 IonicContact OE1-NZ 2.67Å; E376-K410 PolarHBondContact OE1-NZ 3.44Å; E376-K410 IonicContact OE2-NZ 3.95Å; E376-K410 PolarHBondContact OE2-NZ 3.03Å; E376-Y411 WeakPolarHBondContact CA-OH 3.49Å; E376-Y411 VanDerWaalsContact CB-OH 3.3Å; E376-Y411 WeakPolarHBondContact CB-OH 3.33Å; E376-Y411 HydrophobicContact CG-CE2 4.32Å; E376-Y411 VanDerWaalsContact CG-OH 3.31Å; E376-Y411 WeakPolarHBondContact CG-OH 3.22Å
377	E	90.1	Very high	84	Confident	88 Å²	88	62.9 Å²	62.9	41%	0.411	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-48	172.9	-73.1	179.7	-106.4	0	0	113.1	K342 D373 V375 L379 G380 S381	K342-E377 WeakPolarHBondContact CE-OE2 3.49Å; K342-E377 IonicContact NZ-OE1 3.52Å; K342-E377 PolarHBondContact NZ-OE1 2.97Å; K342-E377 IonicContact NZ-OE2 2.65Å; K342-E377 PolarHBondContact NZ-OE2 3.09Å; D373-E377 WeakPolarHBondContact O-CG 3.42Å; D373-E377 PolarHBondContact O-N 3.15Å; V375-E377 VanDerWaalsContact C-N 3.3Å; V375-E377 PolarHBondContact O-N 3.32Å; E377-L379 PolarHBondContact O-N 3.22Å; E377-G380 PolarHBondContact O-N 3.35Å; E377-S381 PolarHBondContact O-N 3.38Å
378	I	92.4	Very high	83.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-61	-46.9	179	-69.4	160.9	0	0	0	110.2	L286 L288 P338 I341 K342 L352 Q374 V375 G380 S381	L286-I378 HydrophobicContact CD2-CG2 3.79Å; L288-I378 HydrophobicContact CD1-CD1 4.43Å; L288-I378 HydrophobicContact CD1-CG2 4.22Å; L288-I378 HydrophobicContact CD2-CD1 4.44Å; P338-I378 HydrophobicContact CB-CD1 4.03Å; P338-I378 WeakPolarHBondContact O-CD1 3.35Å; I341-I378 HydrophobicContact CB-CD1 3.96Å; I341-I378 HydrophobicContact CG2-CD1 3.91Å; I341-I378 HydrophobicContact CG2-CG1 4.07Å; I341-I378 HydrophobicContact CG2-CG2 3.83Å; K342-I378 HydrophobicContact CB-CD1 4.31Å; K342-I378 HydrophobicContact CB-CG1 4.24Å; L352-I378 HydrophobicContact CD1-CG2 3.9Å; Q374-I378 WeakPolarHBondContact O-CB 3.27Å; Q374-I378 WeakPolarHBondContact O-CD1 3.18Å; Q374-I378 WeakPolarHBondContact O-CG1 3.41Å; Q374-I378 PolarHBondContact O-N 2.89Å; Q374-I378 VanDerWaalsContact O-N 3.09Å; V375-I378 PolarHBondContact O-N 2.82Å; I378-G380 VanDerWaalsContact C-N 3.35Å; I378-S381 WeakPolarHBondContact O-CB 3.39Å; I378-S381 PolarHBondContact O-N 2.79Å; I378-S381 PolarHBondContact O-OG 2.89Å
379	L	90.3	Very high	83.9	Confident	3 Å²	3	70.2 Å²	70.2	2%	0.016	39%	0.386	C	S	.	.	H	α-helix	trans	-67.3	-36	177.6	-59.2	-179	0	0	0	111.2	V358 V375 E377 S381 S382 Y383 Y411	V358-L379 HydrophobicContact CG1-CD2 3.75Å; V358-L379 HydrophobicContact CG2-CD2 4.49Å; V375-L379 HydrophobicContact CG1-CD1 3.67Å; V375-L379 HydrophobicContact CG1-CG 4.06Å; V375-L379 WeakPolarHBondContact O-CB 3.41Å; V375-L379 VanDerWaalsContact O-CG 3.24Å; V375-L379 WeakPolarHBondContact O-CG 3.38Å; V375-L379 PolarHBondContact O-N 3.07Å; E377-L379 PolarHBondContact O-N 3.22Å; L379-S381 PolarHBondContact O-N 3.22Å; L379-S381 VanDerWaalsContact O-N 3.08Å; L379-S382 PolarHBondContact O-N 3.16Å; L379-Y383 HydrophobicContact CB-CD2 3.86Å; L379-Y383 HydrophobicContact CB-CE2 4.16Å; L379-Y383 HydrophobicContact CD2-CD2 4.31Å; L379-Y383 HydrophobicContact CD2-CE2 3.76Å; L379-Y383 HydrophobicContact CG-CE2 4.4Å; L379-Y383 WeakPolarHBondContact O-CD2 3.48Å; L379-Y383 PolarHBondContact O-N 3.3Å; L379-Y411 HydrophobicContact CB-CD1 3.9Å; L379-Y411 HydrophobicContact CB-CE1 3.54Å; L379-Y411 HydrophobicContact CD1-CD1 3.8Å; L379-Y411 HydrophobicContact CD1-CD2 3.82Å; L379-Y411 HydrophobicContact CD1-CE1 3.9Å; L379-Y411 HydrophobicContact CD1-CE2 3.93Å; L379-Y411 HydrophobicContact CD1-CG 3.77Å; L379-Y411 HydrophobicContact CG-CD1 4.49Å; L379-Y411 HydrophobicContact CG-CE1 4.38Å
380	G	86.8	Confident	84.5	Confident	51 Å²	51	67.5 Å²	67.5	53%	0.526	37%	0.374	S	S	.	.	H	α-helix	trans	-58.5	-20.5	175.9	0	0	0	0	0	115.1	E376 E377 I378 S382	E376-G380 PolarHBondContact O-N 2.64Å; E377-G380 PolarHBondContact O-N 3.35Å; I378-G380 VanDerWaalsContact C-N 3.35Å; G380-S382 VanDerWaalsContact C-N 3.3Å
381	S	83.7	Confident	85	Confident	39 Å²	39	65.5 Å²	65.5	27%	0.273	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.5	172.1	74.3	0	0	0	0	114.7	E377 I378 L379	E377-S381 PolarHBondContact O-N 3.38Å; I378-S381 WeakPolarHBondContact O-CB 3.39Å; I378-S381 PolarHBondContact O-N 2.79Å; I378-S381 PolarHBondContact O-OG 2.89Å; L379-S381 PolarHBondContact O-N 3.22Å; L379-S381 VanDerWaalsContact O-N 3.08Å
382	S	84.6	Confident	85.5	Confident	21 Å²	21	64 Å²	64	15%	0.147	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-31.4	-165	-56	0	0	0	0	113.1	L352 L379 G380	L352-S382 WeakPolarHBondContact CB-OG 3.4Å; L352-S382 PolarHBondContact O-OG 2.67Å; L379-S382 PolarHBondContact O-N 3.16Å; G380-S382 VanDerWaalsContact C-N 3.3Å
383	Y	88.4	Confident	85.9	Confident	26 Å²	26	62.9 Å²	62.9	10%	0.102	34%	0.336	C	S	.	.			trans	-92.9	130.6	176.6	-72.6	-104.4	0	0	0	110.6	V358 L379 N390 P391 T393 Y411	V358-Y383 HydrophobicContact CG2-CE2 3.99Å; L379-Y383 HydrophobicContact CB-CD2 3.86Å; L379-Y383 HydrophobicContact CB-CE2 4.16Å; L379-Y383 HydrophobicContact CD2-CD2 4.31Å; L379-Y383 HydrophobicContact CD2-CE2 3.76Å; L379-Y383 HydrophobicContact CG-CE2 4.4Å; L379-Y383 WeakPolarHBondContact O-CD2 3.48Å; L379-Y383 PolarHBondContact O-N 3.3Å; Y383-N390 WeakPolarHBondContact CA-OD1 3.33Å; Y383-N390 HydrophobicContact CD1-CB 4.1Å; Y383-N390 HydrophobicContact CE1-CB 4.42Å; Y383-P391 HydrophobicContact CD2-CG 4.19Å; Y383-P391 HydrophobicContact CE1-CG 4.11Å; Y383-P391 HydrophobicContact CE2-CG 3.63Å; Y383-T393 WeakPolarHBondContact CE1-OG1 3.28Å; Y383-T393 PolarHBondContact OH-OG1 3.2Å; Y383-Y411 HydrophobicContact CD1-CD1 4.01Å; Y383-Y411 HydrophobicContact CD2-CD1 4.18Å; Y383-Y411 HydrophobicContact CE1-CD1 4.38Å; Y383-Y411 WeakPolarHBondContact CE1-O 3.33Å; Y383-Y411 AromaticContact CG-CD1 3.9Å; Y383-Y411 HydrophobicContact CG-CD1 3.9Å
384	K	81.9	Confident	86.3	Confident	142 Å²	142	57.1 Å²	57.1	62%	0.617	31%	0.305	S	S	*	.			trans	-104.6	144.6	169	-64.1	171.7	-172.6	168.2	0	108.4	D386 N390	K384-D386 PolarHBondContact O-N 3.18Å; K384-N390 PolarHBondContact N-OD1 3.22Å; K384-N390 PolarHBondContact O-ND2 2.98Å; K384-N390 PolarHBondContact O-OD1 3.19Å
385	K	74.9	Confident	86.4	Confident	191 Å²	191	54.5 Å²	54.5	83%	0.83	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	139.2	170.5	-66.7	-171.9	177	-175.6	0	109.3	S387	K385-S387 VanDerWaalsContact C-N 3.34Å; K385-S387 PolarHBondContact O-N 3.24Å
386	D	69.6	Low	86.5	Confident	169 Å²	169	54.2 Å²	54.2	90%	0.904	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	44.4	167.5	-43.7	-48.4	0	0	0	113.9	K384	K384-D386 PolarHBondContact O-N 3.18Å
387	S	74.8	Confident	86.5	Confident	34 Å²	34	51.5 Å²	51.5	24%	0.238	28%	0.279	C	S	.	.			trans	-130.1	124.4	-178.1	-167.7	0	0	0	0	113.6	K385 T389 N390	K385-S387 VanDerWaalsContact C-N 3.34Å; K385-S387 PolarHBondContact O-N 3.24Å; S387-T389 PolarHBondContact O-N 2.78Å; S387-T389 VanDerWaalsContact O-N 3.14Å; S387-T389 PolarHBondContact OG-N 3.5Å; S387-T389 PolarHBondContact OG-OG1 3.48Å; S387-N390 WeakPolarHBondContact O-CB 3.39Å; S387-N390 VanDerWaalsContact O-CG 3.25Å; S387-N390 PolarHBondContact O-N 3.5Å; S387-N390 PolarHBondContact O-ND2 3.06Å
388	D	73.8	Confident	86.1	Confident	160 Å²	160	47.4 Å²	47.4	86%	0.856	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-8.5	171.9	-61.8	-48.2	0	0	0	113.7	N390	D388-N390 VanDerWaalsContact C-N 3.29Å
389	T	82.6	Confident	85.5	Confident	105 Å²	105	47.6 Å²	47.6	64%	0.644	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	2	174.7	67.1	0	0	0	0	113.9	S387	S387-T389 PolarHBondContact O-N 2.78Å; S387-T389 VanDerWaalsContact O-N 3.14Å; S387-T389 PolarHBondContact OG-N 3.5Å; S387-T389 PolarHBondContact OG-OG1 3.48Å
390	N	89.7	Confident	85.2	Confident	36 Å²	36	48.7 Å²	48.7	19%	0.193	27%	0.268	C	S	.	.	S	Bend	trans	-64.1	146.3	175.1	-75.6	-21.9	0	0	0	111.7	Y383 K384 S387 D388	Y383-N390 WeakPolarHBondContact CA-OD1 3.33Å; Y383-N390 HydrophobicContact CD1-CB 4.1Å; Y383-N390 HydrophobicContact CE1-CB 4.42Å; K384-N390 PolarHBondContact N-OD1 3.22Å; K384-N390 PolarHBondContact O-ND2 2.98Å; K384-N390 PolarHBondContact O-OD1 3.19Å; S387-N390 WeakPolarHBondContact O-CB 3.39Å; S387-N390 VanDerWaalsContact O-CG 3.25Å; S387-N390 PolarHBondContact O-N 3.5Å; S387-N390 PolarHBondContact O-ND2 3.06Å; D388-N390 VanDerWaalsContact C-N 3.29Å
391	P	92.9	Very high	84.8	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.032	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-66.1	152.2	176.4	27.2	-33.2	0	0	0	111.6	L355 K356 V358 Y383 T393	L355-P391 HydrophobicContact CB-CB 4.26Å; L355-P391 HydrophobicContact CB-CG 4.45Å; K356-P391 VanDerWaalsContact C-CB 3.46Å; K356-P391 CarbonylContact O-C 3.44Å; K356-P391 WeakPolarHBondContact O-CA 3.03Å; K356-P391 WeakPolarHBondContact O-CB 3.47Å; V358-P391 HydrophobicContact CG2-CB 4.2Å; V358-P391 HydrophobicContact CG2-CG 3.94Å; Y383-P391 HydrophobicContact CD2-CG 4.19Å; Y383-P391 HydrophobicContact CE1-CG 4.11Å; Y383-P391 HydrophobicContact CE2-CG 3.63Å; P391-T393 PolarHBondContact O-N 2.7Å; P391-T393 PolarHBondContact O-OG1 3.46Å
392	Q	95.1	Very high	84.8	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.037	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	123.2	173	-178.7	-174.5	4.3	0	0	110.4	V242 E246 D247 K356 H357 V358 L394	V242-Q392 PolarHBondContact O-NE2 3.18Å; V242-Q392 PolarHBondContact O-OE1 3.04Å; E246-Q392 VanDerWaalsContact O-CG 3.31Å; E246-Q392 WeakPolarHBondContact O-CG 3.4Å; E246-Q392 PolarHBondContact O-NE2 3.26Å; D247-Q392 WeakPolarHBondContact OD1-CA 3.41Å; K356-Q392 PolarHBondContact O-N 2.84Å; H357-Q392 CarbonylContact C-O 3.51Å; H357-Q392 WeakPolarHBondContact CA-O 3.45Å; H357-Q392 PolarHBondContact CE1-OE1 3.17Å; H357-Q392 PolarHBondContact ND1-OE1 3.17Å; V358-Q392 PolarHBondContact N-O 2.91Å; Q392-L394 HydrophobicContact CG-CD2 4.16Å; Q392-L394 HydrophobicContact CG-CG 4.27Å
393	T	94.6	Very high	84.5	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.7	-176.5	-51.4	0	0	0	0	110.8	D247 V248 Y383 P391 Y411 M412	D247-T393 VanDerWaalsContact CA-O 3.28Å; D247-T393 WeakPolarHBondContact CA-O 3.48Å; D247-T393 WeakPolarHBondContact CB-O 3.37Å; D247-T393 PolarHBondContact OD1-N 2.79Å; V248-T393 PolarHBondContact N-O 3.26Å; Y383-T393 WeakPolarHBondContact CE1-OG1 3.28Å; Y383-T393 PolarHBondContact OH-OG1 3.2Å; P391-T393 PolarHBondContact O-N 2.7Å; P391-T393 PolarHBondContact O-OG1 3.46Å; T393-Y411 WeakPolarHBondContact CB-O 3.4Å; T393-Y411 PolarHBondContact OG1-O 2.91Å; T393-M412 HydrophobicContact CG2-CE 3.65Å; T393-M412 HydrophobicContact CG2-CG 3.77Å
394	L	95.6	Very high	84.2	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.7	-175.3	-60.9	173.8	0	0	0	109.2	V242 V248 L266 V358 V359 L360 Q392 F396	V242-L394 HydrophobicContact CG1-CD1 3.78Å; V242-L394 HydrophobicContact CG1-CD2 4.35Å; V242-L394 HydrophobicContact CG2-CD2 3.99Å; V248-L394 HydrophobicContact CB-CD2 3.75Å; V248-L394 HydrophobicContact CG2-CD2 3.84Å; L266-L394 HydrophobicContact CD1-CD1 4.01Å; L266-L394 HydrophobicContact CD2-CD1 4.14Å; L266-L394 HydrophobicContact CG-CD1 4.34Å; V358-L394 WeakPolarHBondContact O-CB 2.81Å; V358-L394 PolarHBondContact O-N 2.94Å; V359-L394 CarbonylContact C-O 3.59Å; V359-L394 VanDerWaalsContact CA-O 3.29Å; V359-L394 WeakPolarHBondContact CA-O 3.49Å; V359-L394 HydrophobicContact CB-CB 4.49Å; V359-L394 HydrophobicContact CG2-CB 4.07Å; V359-L394 HydrophobicContact CG2-CD1 3.98Å; L360-L394 PolarHBondContact N-O 2.91Å; Q392-L394 HydrophobicContact CG-CD2 4.16Å; Q392-L394 HydrophobicContact CG-CG 4.27Å; L394-F396 HydrophobicContact CB-CE2 4.22Å
395	L	93.7	Very high	84.2	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.4	-177.1	-177	166.6	0	0	0	109.7	V248 I249 A250 V363 A408 M412	V248-L395 PolarHBondContact O-N 3.04Å; I249-L395 HydrophobicContact CG2-CD2 4.22Å; A250-L395 PolarHBondContact N-O 2.96Å; V363-L395 HydrophobicContact CB-CG 4.34Å; V363-L395 HydrophobicContact CG1-CD1 3.92Å; V363-L395 HydrophobicContact CG1-CD2 3.52Å; V363-L395 HydrophobicContact CG1-CG 3.55Å; L395-A408 HydrophobicContact CD1-CB 3.26Å; L395-M412 HydrophobicContact CB-CE 3.59Å; L395-M412 HydrophobicContact CD1-CE 4.04Å
396	F	91.8	Very high	84.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.1	179.4	-75.7	-97.1	0	0	0	110.9	A250 K258 F262 V359 L360 E362 L394	A250-F396 HydrophobicContact CB-CD1 3.46Å; A250-F396 VanDerWaalsContact CB-CD1 3.46Å; A250-F396 HydrophobicContact CB-CD2 4.43Å; A250-F396 HydrophobicContact CB-CE1 3.29Å; A250-F396 HydrophobicContact CB-CE2 4.29Å; A250-F396 HydrophobicContact CB-CG 4.05Å; A250-F396 HydrophobicContact CB-CZ 3.75Å; A250-F396 WeakPolarHBondContact O-CA 3.44Å; K258-F396 HydrophobicContact CB-CD1 4.1Å; K258-F396 HydrophobicContact CG-CD1 4.36Å; F262-F396 HydrophobicContact CB-CD2 4.39Å; F262-F396 HydrophobicContact CB-CE2 3.76Å; F262-F396 HydrophobicContact CB-CZ 4.07Å; F262-F396 HydrophobicContact CD1-CB 4.41Å; F262-F396 HydrophobicContact CD1-CD1 4.07Å; F262-F396 AromaticContact CD1-CD2 3.47Å; F262-F396 HydrophobicContact CD1-CD2 3.47Å; F262-F396 VanDerWaalsContact CD1-CD2 3.47Å; F262-F396 HydrophobicContact CD1-CE1 4.22Å; F262-F396 AromaticContact CD1-CE2 3.65Å; F262-F396 HydrophobicContact CD1-CE2 3.65Å; F262-F396 AromaticContact CD1-CG 3.7Å; F262-F396 HydrophobicContact CD1-CG 3.7Å; F262-F396 HydrophobicContact CD1-CZ 4.02Å; F262-F396 HydrophobicContact CE1-CB 4.26Å; F262-F396 HydrophobicContact CE1-CD2 4.1Å; F262-F396 HydrophobicContact CE1-CG 4.03Å; F262-F396 HydrophobicContact CG-CD2 4.3Å; F262-F396 HydrophobicContact CG-CE2 4.15Å; V359-F396 HydrophobicContact CG1-CD2 4.35Å; L360-F396 PolarHBondContact O-N 3.02Å; E362-F396 PolarHBondContact N-O 3.47Å; L394-F396 HydrophobicContact CB-CE2 4.22Å
397	S	88.6	Confident	84.9	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	166.1	173.5	-178.8	0	0	0	0	112	A250 Q251 A252 D364 T399	A250-S397 PolarHBondContact O-N 2.94Å; A250-S397 VanDerWaalsContact O-N 3.14Å; Q251-S397 WeakPolarHBondContact CA-O 3.39Å; A252-S397 PolarHBondContact N-O 3.07Å; A252-S397 VanDerWaalsContact N-O 3.09Å; D364-S397 VanDerWaalsContact CG-OG 3.25Å; D364-S397 PolarHBondContact OD1-OG 3.36Å; S397-T399 PolarHBondContact OG-N 3.12Å; S397-T399 PolarHBondContact OG-O 3.42Å; S397-T399 VanDerWaalsContact OG-O 3.13Å
398	A	83.3	Confident	85.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.008	21%	0.206	C	C	.	.	S	Bend	trans	-84.3	-22.3	162.3	0	0	0	0	0	112.1	Q251 A252 T254 I422	Q251-A398 PolarHBondContact NE2-O 3.18Å; A252-A398 VanDerWaalsContact O-CA 3.31Å; A252-A398 WeakPolarHBondContact O-CA 3.23Å; T254-A398 HydrophobicContact CG2-CB 4.26Å; A398-I422 WeakPolarHBondContact O-CD1 3.31Å
399	T	80	Confident	85.6	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.031	19%	0.194	C	C	.	.			trans	-138.8	108.3	-170.3	22.2	0	0	0	0	110.3	D364 S397 P401 E541 I544	D364-T399 VanDerWaalsContact CB-O 3.3Å; D364-T399 WeakPolarHBondContact CB-O 3.15Å; D364-T399 PolarHBondContact OD2-OG1 2.84Å; S397-T399 PolarHBondContact OG-N 3.12Å; S397-T399 PolarHBondContact OG-O 3.42Å; S397-T399 VanDerWaalsContact OG-O 3.13Å; T399-P401 WeakPolarHBondContact O-CD 3.41Å; T399-E541 HydrophobicContact CG2-CG 4.07Å; T399-I544 HydrophobicContact CG2-CD1 4.27Å
400	C	82.5	Confident	85.7	Confident	25 Å²	25	38.5 Å²	38.5	17%	0.169	19%	0.189	C	C	.	.			trans	-109.5	78.4	175	-160.7	0	0	0	0	110.8
401	P	80	Confident	85.5	Confident	27 Å²	27	38.4 Å²	38.4	18%	0.175	19%	0.186	C	C	.	.			trans	-68.8	158.6	172	31.7	-36.3	0	0	0	110.7	T399 W403 V404 Y405	T399-P401 WeakPolarHBondContact O-CD 3.41Å; P401-W403 VanDerWaalsContact C-N 3.28Å; P401-W403 HydrophobicContact CG-CD2 4.44Å; P401-W403 HydrophobicContact CG-CZ2 4.07Å; P401-W403 VanDerWaalsContact CG-NE1 3.3Å; P401-W403 PolarHBondContact O-N 3.22Å; P401-W403 VanDerWaalsContact O-N 3.11Å; P401-V404 HydrophobicContact CG-CB 4.15Å; P401-V404 HydrophobicContact CG-CG2 3.64Å; P401-V404 WeakPolarHBondContact O-CB 3.45Å; P401-V404 PolarHBondContact O-N 3.08Å; P401-Y405 PolarHBondContact O-N 3.13Å
402	P	82.6	Confident	85.3	Confident	98 Å²	98	39.2 Å²	39.2	64%	0.636	19%	0.19	S	C	*	.	H	α-helix	trans	-53.9	-40.1	-170.7	-29	35.8	0	0	0	114.6	V404 Y405 D406	P402-V404 VanDerWaalsContact C-N 3.3Å; P402-V404 PolarHBondContact O-N 3.3Å; P402-Y405 CarbonylContact O-C 3.48Å; P402-Y405 WeakPolarHBondContact O-CA 3.47Å; P402-Y405 WeakPolarHBondContact O-CB 3.36Å; P402-Y405 PolarHBondContact O-N 3.18Å; P402-Y405 VanDerWaalsContact O-N 3.11Å; P402-D406 VanDerWaalsContact O-CG 3.31Å; P402-D406 PolarHBondContact O-N 3.19Å
403	W	79.1	Confident	84.9	Confident	123 Å²	123	43.1 Å²	43.1	47%	0.466	20%	0.204	S	C	.	.	H	α-helix	trans	-66.4	-27.8	-179.5	64.4	-93	0	0	0	113.7	L367 D368 P401 V407	L367-W403 HydrophobicContact CB-CE3 4.5Å; L367-W403 HydrophobicContact CB-CH2 3.95Å; L367-W403 HydrophobicContact CB-CZ3 3.44Å; L367-W403 VanDerWaalsContact CB-CZ3 3.44Å; L367-W403 HydrophobicContact CD1-CZ3 4.18Å; L367-W403 HydrophobicContact CG-CZ3 4.46Å; D368-W403 HydrophobicContact CB-CH2 4.35Å; P401-W403 VanDerWaalsContact C-N 3.28Å; P401-W403 HydrophobicContact CG-CD2 4.44Å; P401-W403 HydrophobicContact CG-CZ2 4.07Å; P401-W403 VanDerWaalsContact CG-NE1 3.3Å; P401-W403 PolarHBondContact O-N 3.22Å; P401-W403 VanDerWaalsContact O-N 3.11Å; W403-V407 WeakPolarHBondContact O-CG2 3.29Å; W403-V407 PolarHBondContact O-N 3.35Å
404	V	81.3	Confident	84.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-73.2	-41.6	171.5	171.5	0	0	0	0	110.2	V363 D364 L367 P401 P402 V407 A408	V363-V404 HydrophobicContact CG1-CG1 3.68Å; V363-V404 HydrophobicContact CG2-CG1 4.35Å; D364-V404 HydrophobicContact CB-CG2 3.86Å; L367-V404 HydrophobicContact CD1-CG1 4.46Å; L367-V404 HydrophobicContact CD1-CG2 4.25Å; P401-V404 HydrophobicContact CG-CB 4.15Å; P401-V404 HydrophobicContact CG-CG2 3.64Å; P401-V404 WeakPolarHBondContact O-CB 3.45Å; P401-V404 PolarHBondContact O-N 3.08Å; P402-V404 VanDerWaalsContact C-N 3.3Å; P402-V404 PolarHBondContact O-N 3.3Å; V404-V407 PolarHBondContact O-N 2.91Å; V404-A408 WeakPolarHBondContact O-CB 3.49Å; V404-A408 PolarHBondContact O-N 3.02Å
405	Y	82.6	Confident	83.4	Confident	86 Å²	86	53.1 Å²	53.1	34%	0.337	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-41.6	175.6	-177.8	-88.7	0	0	0	111.9	I249 P401 P402 V407 A408 K409	I249-Y405 HydrophobicContact CD1-CD2 3.74Å; I249-Y405 HydrophobicContact CD1-CE2 3.47Å; I249-Y405 VanDerWaalsContact CD1-CE2 3.47Å; P401-Y405 PolarHBondContact O-N 3.13Å; P402-Y405 CarbonylContact O-C 3.48Å; P402-Y405 WeakPolarHBondContact O-CA 3.47Å; P402-Y405 WeakPolarHBondContact O-CB 3.36Å; P402-Y405 PolarHBondContact O-N 3.18Å; P402-Y405 VanDerWaalsContact O-N 3.11Å; Y405-V407 PolarHBondContact O-N 2.67Å; Y405-A408 PolarHBondContact O-N 3.34Å; Y405-K409 HydrophobicContact CE1-CD 4.19Å; Y405-K409 VanDerWaalsContact O-CB 3.28Å; Y405-K409 WeakPolarHBondContact O-CB 3.41Å; Y405-K409 PolarHBondContact O-N 2.95Å
406	D	81.6	Confident	83.2	Confident	96 Å²	96	54.9 Å²	54.9	51%	0.513	29%	0.293	S	S	.	.	H	α-helix	trans	-66.6	-34.6	179.1	-69.6	-35.4	0	0	0	112.8	P402	P402-D406 VanDerWaalsContact O-CG 3.31Å; P402-D406 PolarHBondContact O-N 3.19Å
407	V	77.4	Confident	83.2	Confident	31 Å²	31	58.8 Å²	58.8	19%	0.188	31%	0.31	C	S	.	.	H	α-helix	trans	-69.7	-46.6	170.6	172.8	0	0	0	0	110.8	L367 W403 V404 Y405 K409 K410	L367-V407 HydrophobicContact CD1-CB 3.93Å; L367-V407 HydrophobicContact CD1-CG1 3.89Å; L367-V407 HydrophobicContact CD1-CG2 4.2Å; L367-V407 HydrophobicContact CD2-CG1 4.23Å; W403-V407 WeakPolarHBondContact O-CG2 3.29Å; W403-V407 PolarHBondContact O-N 3.35Å; V404-V407 PolarHBondContact O-N 2.91Å; Y405-V407 PolarHBondContact O-N 2.67Å; V407-K409 VanDerWaalsContact C-N 3.3Å; V407-K409 PolarHBondContact O-N 2.8Å; V407-K410 VanDerWaalsContact O-CB 3.31Å; V407-K410 WeakPolarHBondContact O-CB 3.37Å; V407-K410 WeakPolarHBondContact O-CG 3.28Å; V407-K410 PolarHBondContact O-N 2.78Å; V407-K410 VanDerWaalsContact O-N 3.17Å
408	A	79.6	Confident	83.3	Confident	3 Å²	3	63.5 Å²	63.5	3%	0.025	33%	0.332	C	S	.	.	H	α-helix	trans	-57.9	-41.9	179	0	0	0	0	0	112.8	L395 V404 Y405 K410 Y411 M412	L395-A408 HydrophobicContact CD1-CB 3.26Å; V404-A408 WeakPolarHBondContact O-CB 3.49Å; V404-A408 PolarHBondContact O-N 3.02Å; Y405-A408 PolarHBondContact O-N 3.34Å; A408-K410 PolarHBondContact O-N 3.34Å; A408-K410 VanDerWaalsContact O-N 3.15Å; A408-Y411 PolarHBondContact O-N 2.64Å; A408-M412 HydrophobicContact CB-CE 4.18Å; A408-M412 HydrophobicContact CB-SD 4.16Å; A408-M412 WeakPolarHBondContact O-CG 3.33Å; A408-M412 PolarHBondContact O-N 2.96Å
409	K	83	Confident	83.7	Confident	136 Å²	136	64.2 Å²	64.2	59%	0.591	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-60.3	-22.5	179.9	-169.9	178.8	179.6	-172.7	0	113.6	Y405 V407 Y411	Y405-K409 HydrophobicContact CE1-CD 4.19Å; Y405-K409 VanDerWaalsContact O-CB 3.28Å; Y405-K409 WeakPolarHBondContact O-CB 3.41Å; Y405-K409 PolarHBondContact O-N 2.95Å; V407-K409 VanDerWaalsContact C-N 3.3Å; V407-K409 PolarHBondContact O-N 2.8Å; K409-Y411 PolarHBondContact O-N 3.08Å
410	K	84.8	Confident	84.1	Confident	124 Å²	124	66.7 Å²	66.7	54%	0.539	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-63	-26.4	172.1	-60.4	177.6	178.9	-178.8	0	113.1	E376 V407 A408	E376-K410 VanDerWaalsContact CD-NZ 3.31Å; E376-K410 IonicContact OE1-NZ 2.67Å; E376-K410 PolarHBondContact OE1-NZ 3.44Å; E376-K410 IonicContact OE2-NZ 3.95Å; E376-K410 PolarHBondContact OE2-NZ 3.03Å; V407-K410 VanDerWaalsContact O-CB 3.31Å; V407-K410 WeakPolarHBondContact O-CB 3.37Å; V407-K410 WeakPolarHBondContact O-CG 3.28Å; V407-K410 PolarHBondContact O-N 2.78Å; V407-K410 VanDerWaalsContact O-N 3.17Å; A408-K410 PolarHBondContact O-N 3.34Å; A408-K410 VanDerWaalsContact O-N 3.15Å
411	Y	85.3	Confident	84.2	Confident	34 Å²	34	68.1 Å²	68.1	13%	0.133	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-116.1	11.3	-171.3	-60.2	-78.6	0	0	0	112.9	E376 L379 Y383 T393 A408 K409	E376-Y411 WeakPolarHBondContact CA-OH 3.49Å; E376-Y411 VanDerWaalsContact CB-OH 3.3Å; E376-Y411 WeakPolarHBondContact CB-OH 3.33Å; E376-Y411 HydrophobicContact CG-CE2 4.32Å; E376-Y411 VanDerWaalsContact CG-OH 3.31Å; E376-Y411 WeakPolarHBondContact CG-OH 3.22Å; L379-Y411 HydrophobicContact CB-CD1 3.9Å; L379-Y411 HydrophobicContact CB-CE1 3.54Å; L379-Y411 HydrophobicContact CD1-CD1 3.8Å; L379-Y411 HydrophobicContact CD1-CD2 3.82Å; L379-Y411 HydrophobicContact CD1-CE1 3.9Å; L379-Y411 HydrophobicContact CD1-CE2 3.93Å; L379-Y411 HydrophobicContact CD1-CG 3.77Å; L379-Y411 HydrophobicContact CG-CD1 4.49Å; L379-Y411 HydrophobicContact CG-CE1 4.38Å; Y383-Y411 HydrophobicContact CD1-CD1 4.01Å; Y383-Y411 HydrophobicContact CD2-CD1 4.18Å; Y383-Y411 HydrophobicContact CE1-CD1 4.38Å; Y383-Y411 WeakPolarHBondContact CE1-O 3.33Å; Y383-Y411 AromaticContact CG-CD1 3.9Å; Y383-Y411 HydrophobicContact CG-CD1 3.9Å; T393-Y411 WeakPolarHBondContact CB-O 3.4Å; T393-Y411 PolarHBondContact OG1-O 2.91Å; A408-Y411 PolarHBondContact O-N 2.64Å; K409-Y411 PolarHBondContact O-N 3.08Å
412	M	88.3	Confident	84.2	Confident	23 Å²	23	67.3 Å²	67.3	11%	0.113	35%	0.348	C	S	.	.	S	Bend	trans	-120.9	142.5	-176	-72.1	175.8	173.7	0	0	111.6	D247 I249 T393 L395 A408 C416	D247-M412 HydrophobicContact CB-CG 4.45Å; I249-M412 HydrophobicContact CD1-CE 4.45Å; I249-M412 HydrophobicContact CD1-SD 3.67Å; I249-M412 HydrophobicContact CG1-CE 3.7Å; I249-M412 HydrophobicContact CG1-SD 3.48Å; I249-M412 WeakPolarHBondContact CG1-SD 3.34Å; T393-M412 HydrophobicContact CG2-CE 3.65Å; T393-M412 HydrophobicContact CG2-CG 3.77Å; L395-M412 HydrophobicContact CB-CE 3.59Å; L395-M412 HydrophobicContact CD1-CE 4.04Å; A408-M412 HydrophobicContact CB-CE 4.18Å; A408-M412 HydrophobicContact CB-SD 4.16Å; A408-M412 WeakPolarHBondContact O-CG 3.33Å; A408-M412 PolarHBondContact O-N 2.96Å; M412-C416 HydrophobicContact CB-CB 4.24Å
413	R	87.4	Confident	83.6	Confident	90 Å²	90	64.2 Å²	64.2	34%	0.34	33%	0.334	S	S	.	.			trans	-70.6	153	176.5	-67	168.4	-72	165.6	-1.1	110.5	G245 D247 G415 C416	G245-R413 PolarHBondContact O-NH2 3.04Å; D247-R413 VanDerWaalsContact CG-NH2 3.28Å; D247-R413 IonicContact OD1-CZ 2.74Å; D247-R413 IonicContact OD1-NE 2.72Å; D247-R413 PolarHBondContact OD1-NE 3.47Å; D247-R413 IonicContact OD1-NH2 3.39Å; D247-R413 PolarHBondContact OD1-NH2 3.02Å; D247-R413 VanDerWaalsContact OD2-CB 3.28Å; D247-R413 WeakPolarHBondContact OD2-CB 3.2Å; D247-R413 WeakPolarHBondContact OD2-CG 3.34Å; D247-R413 IonicContact OD2-CZ 3.72Å; D247-R413 PolarHBondContact OD2-N 3Å; D247-R413 IonicContact OD2-NE 3.88Å; D247-R413 PolarHBondContact OD2-NE 3.03Å; D247-R413 IonicContact OD2-NH2 2.68Å; R413-G415 PolarHBondContact O-N 3.4Å; R413-C416 PolarHBondContact O-N 2.97Å; R413-C416 VanDerWaalsContact O-N 3.08Å
414	P	79.3	Confident	82.7	Confident	143 Å²	143	68.1 Å²	68.1	93%	0.929	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.7	-175.6	-27.8	36	0	0	0	116.2
415	G	80.4	Confident	81.5	Confident	68 Å²	68	78.2 Å²	78.2	70%	0.701	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	23.1	177.2	0	0	0	0	0	115.2	R413 K417	R413-G415 PolarHBondContact O-N 3.4Å; G415-K417 PolarHBondContact O-N 2.96Å
416	C	87.5	Confident	80.5	Confident	38 Å²	38	77.3 Å²	77.3	26%	0.257	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-59.3	131.8	179.7	62	0	0	0	0	112.6	D247 M412 R413	D247-C416 HydrophobicContact CB-CB 3.8Å; D247-C416 CarbonylContact O-C 3.49Å; D247-C416 WeakPolarHBondContact O-CA 3.36Å; M412-C416 HydrophobicContact CB-CB 4.24Å; R413-C416 PolarHBondContact O-N 2.97Å; R413-C416 VanDerWaalsContact O-N 3.08Å
417	K	91.9	Very high	79.9	Confident	83 Å²	83	75.1 Å²	75.1	36%	0.361	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124	179.2	-178.7	177.3	-92.9	150.2	0	110.2	A241 E246 D247 V248 I249 G415 I419	A241-K417 HydrophobicContact CB-CD 3.71Å; E246-K417 VanDerWaalsContact CD-NZ 3.32Å; E246-K417 IonicContact OE1-NZ 2.58Å; E246-K417 PolarHBondContact OE1-NZ 3.36Å; E246-K417 VanDerWaalsContact OE1-NZ 3.15Å; E246-K417 WeakPolarHBondContact OE2-CD 3.39Å; E246-K417 VanDerWaalsContact OE2-CE 3.24Å; E246-K417 WeakPolarHBondContact OE2-CE 3.35Å; E246-K417 IonicContact OE2-NZ 3.98Å; E246-K417 PolarHBondContact OE2-NZ 2.92Å; D247-K417 PolarHBondContact O-N 3.44Å; V248-K417 WeakPolarHBondContact CA-O 3.27Å; I249-K417 PolarHBondContact N-O 2.98Å; G415-K417 PolarHBondContact O-N 2.96Å; K417-I419 HydrophobicContact CD-CD1 4.3Å; K417-I419 HydrophobicContact CD-CG1 4.31Å; K417-I419 HydrophobicContact CG-CG1 4.08Å
418	H	90.9	Very high	79.6	Confident	100 Å²	100	76.7 Å²	76.7	46%	0.463	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123	174.2	-171.3	-145.2	0	0	0	110.5	I249	I249-H418 VanDerWaalsContact CG2-CD2 3.49Å; I249-H418 WeakPolarHBondContact CG2-CD2 3.4Å; I249-H418 PolarHBondContact O-CD2 2.85Å
419	I	91.2	Very high	79.2	Confident	16 Å²	16	76.6 Å²	76.6	8%	0.082	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	94.1	178.9	-53	175.5	0	0	0	107.3	I234 K237 V248 I249 A250 Q251 K417	I234-I419 HydrophobicContact CD1-CG2 3.88Å; K237-I419 HydrophobicContact CB-CG2 4.08Å; K237-I419 WeakPolarHBondContact O-CD1 3.36Å; V248-I419 HydrophobicContact CG1-CD1 3.82Å; V248-I419 HydrophobicContact CG1-CG1 4.3Å; I249-I419 PolarHBondContact O-N 2.82Å; A250-I419 WeakPolarHBondContact CA-O 3.09Å; Q251-I419 PolarHBondContact N-O 2.85Å; K417-I419 HydrophobicContact CD-CD1 4.3Å; K417-I419 HydrophobicContact CD-CG1 4.31Å; K417-I419 HydrophobicContact CG-CG1 4.08Å
420	D	89.6	Confident	78.7	Confident	57 Å²	57	70.4 Å²	70.4	31%	0.305	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	111.1	175.5	179.8	13.5	0	0	0	109.7	I422 G423	D420-I422 WeakPolarHBondContact OD1-CA 3.32Å; D420-I422 PolarHBondContact OD1-N 2.54Å; D420-G423 VanDerWaalsContact CG-N 3.31Å; D420-G423 PolarHBondContact OD1-N 2.95Å; D420-G423 VanDerWaalsContact OD2-CA 3.28Å; D420-G423 WeakPolarHBondContact OD2-CA 3.29Å; D420-G423 PolarHBondContact OD2-N 2.99Å
421	L	84.8	Confident	78.3	Confident	54 Å²	54	68.5 Å²	68.5	28%	0.283	37%	0.365	S	S	.	.	S	Bend	trans	-99.1	1.2	172.1	-71.8	-172.6	0	0	0	113.5	D233 I234 K237 Q251 A252	D233-L421 HydrophobicContact CB-CD1 3.73Å; I234-L421 HydrophobicContact CB-CD1 3.69Å; I234-L421 HydrophobicContact CD1-CD1 4.01Å; I234-L421 HydrophobicContact CD1-CG 4.36Å; I234-L421 HydrophobicContact CG1-CD1 4.42Å; K237-L421 HydrophobicContact CD-CD2 3.77Å; Q251-L421 PolarHBondContact O-N 2.8Å; A252-L421 HydrophobicContact CB-CB 4.35Å; A252-L421 HydrophobicContact CB-CD1 4.47Å
422	I	79.9	Confident	78.2	Confident	10 Å²	10	69 Å²	69	5%	0.051	37%	0.371	C	S	.	.	S	Bend	trans	-92.4	-58.1	174.7	-55.3	-168.1	0	0	0	108.3	Q251 R253 A398 D420 T426 K428	Q251-I422 HydrophobicContact CG-CD1 3.89Å; Q251-I422 HydrophobicContact CG-CG1 4.17Å; R253-I422 HydrophobicContact CG-CD1 4.09Å; R253-I422 HydrophobicContact CG-CG1 4.04Å; A398-I422 WeakPolarHBondContact O-CD1 3.31Å; D420-I422 WeakPolarHBondContact OD1-CA 3.32Å; D420-I422 PolarHBondContact OD1-N 2.54Å; I422-T426 WeakPolarHBondContact O-CB 3.34Å; I422-T426 PolarHBondContact O-OG1 3.17Å; I422-K428 HydrophobicContact CG2-CB 4.49Å; I422-K428 HydrophobicContact CG2-CG 4.21Å
423	G	70.6	Confident	78.2	Confident	33 Å²	33	68.2 Å²	68.2	34%	0.34	37%	0.368	S	S	.	.			trans	87.1	171.7	-175.7	0	0	0	0	0	113.9	D420 T426	D420-G423 VanDerWaalsContact CG-N 3.31Å; D420-G423 PolarHBondContact OD1-N 2.95Å; D420-G423 VanDerWaalsContact OD2-CA 3.28Å; D420-G423 WeakPolarHBondContact OD2-CA 3.29Å; D420-G423 PolarHBondContact OD2-N 2.99Å; G423-T426 PolarHBondContact O-OG1 2.78Å
424	K	59.2	Low	78.4	Confident	206 Å²	206	67.9 Å²	67.9	90%	0.896	37%	0.371	S	S	*	.	S	Bend	trans	-89.8	-2.9	-168.4	-64.6	-176.7	179.1	178.1	0	116.1
425	K	55.8	Low	79.1	Confident	211 Å²	211	61.6 Å²	61.6	92%	0.917	33%	0.329	S	S	*	.	S	Bend	trans	-139.5	25.9	-171.3	-73.1	-167.6	173.9	-174.1	0	113.7
426	T	61.3	Low	79.8	Confident	67 Å²	67	58.4 Å²	58.4	41%	0.411	30%	0.296	S	S	.	.	S	Bend	trans	-133.9	155.9	-159.3	31.9	0	0	0	0	111	I422 G423 K428	I422-T426 WeakPolarHBondContact O-CB 3.34Å; I422-T426 PolarHBondContact O-OG1 3.17Å; G423-T426 PolarHBondContact O-OG1 2.78Å; T426-K428 PolarHBondContact O-N 3.5Å
427	Q	69.6	Low	80.2	Confident	51 Å²	51	56.6 Å²	56.6	24%	0.238	28%	0.283	C	S	.	.			trans	-56.5	117.7	174.2	-177.1	174.7	5.4	0	0	110.5	R253 A429 T431 H435 G579 I580	R253-Q427 PolarHBondContact NE-O 2.89Å; R253-Q427 VanDerWaalsContact NE-O 3.08Å; R253-Q427 PolarHBondContact NH2-O 3.48Å; Q427-A429 HydrophobicContact CG-CB 4.14Å; Q427-T431 HydrophobicContact CB-CG2 4.43Å; Q427-H435 PolarHBondContact NE2-CD2 2.82Å; Q427-H435 PolarHBondContact NE2-NE2 3.45Å; Q427-H435 VanDerWaalsContact NE2-NE2 3.17Å; Q427-G579 WeakPolarHBondContact CA-O 3.42Å; Q427-G579 WeakPolarHBondContact CB-O 3.45Å; Q427-I580 HydrophobicContact CG-CG2 3.82Å
428	K	72.3	Confident	80.3	Confident	64 Å²	64	52.7 Å²	52.7	28%	0.278	27%	0.267	S	S	.	.			trans	-78.5	-27.7	178.8	-62.4	178.7	-178	165.6	0	112.7	I422 T426 I544 K577 A578	I422-K428 HydrophobicContact CG2-CB 4.49Å; I422-K428 HydrophobicContact CG2-CG 4.21Å; T426-K428 PolarHBondContact O-N 3.5Å; K428-I544 HydrophobicContact CB-CD1 3.62Å; K428-I544 HydrophobicContact CB-CG1 4.25Å; K428-I544 HydrophobicContact CD-CD1 3.9Å; K428-I544 HydrophobicContact CG-CD1 4.46Å; K428-K577 WeakPolarHBondContact CE-O 3.24Å; K428-K577 PolarHBondContact NZ-O 2.74Å; K428-A578 WeakPolarHBondContact CB-O 3.33Å; K428-A578 PolarHBondContact N-O 3.17Å
429	A	71	Confident	80.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-66	167.7	169.9	0	0	0	0	0	111.4	R253 Q427 T431 H435 I580	R253-A429 VanDerWaalsContact CD-O 3.24Å; R253-A429 WeakPolarHBondContact CD-O 3.38Å; R253-A429 PolarHBondContact NE-O 3.2Å; R253-A429 VanDerWaalsContact NE-O 3.07Å; Q427-A429 HydrophobicContact CG-CB 4.14Å; A429-T431 PolarHBondContact O-N 3.29Å; A429-H435 WeakPolarHBondContact CB-NE2 3.49Å; A429-I580 HydrophobicContact CB-CG2 4.07Å
430	A	71.4	Confident	80.3	Confident	6 Å²	6	48.5 Å²	48.5	5%	0.05	25%	0.251	C	S	.	.			trans	-62.9	126.8	169.3	0	0	0	0	0	110.1	T432 V433	A430-T432 PolarHBondContact O-N 3.11Å; A430-V433 HydrophobicContact CB-CG2 3.83Å; A430-V433 PolarHBondContact O-N 2.81Å; A430-V433 VanDerWaalsContact O-N 3.17Å
431	T	76.7	Confident	80.3	Confident	84 Å²	84	49.7 Å²	49.7	52%	0.515	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.5	-178.2	37.4	0	0	0	0	113.9	Q427 A429 V433	Q427-T431 HydrophobicContact CB-CG2 4.43Å; A429-T431 PolarHBondContact O-N 3.29Å; T431-V433 VanDerWaalsContact C-N 3.33Å
432	T	83.3	Confident	80.4	Confident	44 Å²	44	54.8 Å²	54.8	27%	0.27	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-3.8	174.2	42.4	0	0	0	0	113.7	A430 G551 R555 T556 G557	A430-T432 PolarHBondContact O-N 3.11Å; T432-G551 PolarHBondContact OG1-O 3.47Å; T432-R555 WeakPolarHBondContact CB-O 3.3Å; T432-T556 CarbonylContact O-C 2.9Å; T432-T556 VanDerWaalsContact O-CA 3.27Å; T432-T556 WeakPolarHBondContact O-CA 3.28Å; T432-G557 PolarHBondContact O-N 2.61Å
433	V	88.3	Confident	80.8	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.048	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.5	-175.5	179.4	0	0	0	0	111	A430 T431 H435 T550 G557 C559	A430-V433 HydrophobicContact CB-CG2 3.83Å; A430-V433 PolarHBondContact O-N 2.81Å; A430-V433 VanDerWaalsContact O-N 3.17Å; T431-V433 VanDerWaalsContact C-N 3.33Å; V433-H435 PolarHBondContact O-CD2 3.25Å; V433-T550 HydrophobicContact CG1-CG2 4Å; V433-T550 HydrophobicContact CG2-CG2 4.01Å; V433-G557 CarbonylContact C-O 3.57Å; V433-G557 VanDerWaalsContact CA-O 3.28Å; V433-G557 WeakPolarHBondContact CA-O 3.47Å; V433-C559 HydrophobicContact CG1-CB 3.54Å
434	E	91.4	Very high	81.5	Confident	83 Å²	83	57.5 Å²	57.5	39%	0.388	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.7	168.2	-170.4	175.7	-171.8	0	0	109.3	L436 G557 C559 R583	E434-L436 HydrophobicContact CG-CD2 3.82Å; E434-L436 HydrophobicContact CG-CG 4.33Å; E434-L436 WeakPolarHBondContact OE1-CD2 3.45Å; E434-G557 PolarHBondContact N-O 3.42Å; E434-C559 PolarHBondContact O-N 3.33Å; E434-R583 IonicContact OE1-NH1 2.75Å; E434-R583 PolarHBondContact OE1-NH1 3.46Å
435	H	94.1	Very high	83	Confident	11 Å²	11	49 Å²	49	5%	0.051	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	103.7	-177.1	-64	-66.2	0	0	0	109.8	Q427 A429 V433 Y543 I580 F582 R583	Q427-H435 PolarHBondContact NE2-CD2 2.82Å; Q427-H435 PolarHBondContact NE2-NE2 3.45Å; Q427-H435 VanDerWaalsContact NE2-NE2 3.17Å; A429-H435 WeakPolarHBondContact CB-NE2 3.49Å; V433-H435 PolarHBondContact O-CD2 3.25Å; H435-Y543 AromaticContact CE1-CE1 3.81Å; H435-Y543 AromaticContact ND1-CE1 3.7Å; H435-Y543 AromaticContact ND1-CZ 3.72Å; H435-Y543 PolarHBondContact ND1-OH 3.22Å; H435-I580 HydrophobicContact CB-CD1 4.46Å; H435-F582 HydrophobicContact CB-CD1 3.97Å; H435-F582 HydrophobicContact CB-CE1 4.21Å; H435-F582 WeakPolarHBondContact O-CA 3.4Å; H435-R583 PolarHBondContact O-N 3.31Å
436	L	94.9	Very high	84.7	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	150.8	178.9	-53.4	-177	0	0	0	111	E434 Y456 I558 C559 I560 C561 F582 R583 V585	E434-L436 HydrophobicContact CG-CD2 3.82Å; E434-L436 HydrophobicContact CG-CG 4.33Å; E434-L436 WeakPolarHBondContact OE1-CD2 3.45Å; L436-Y456 HydrophobicContact CD1-CD1 4.46Å; L436-Y456 HydrophobicContact CD1-CE1 3.65Å; L436-I558 HydrophobicContact CD1-CG2 3.89Å; L436-I558 HydrophobicContact CG-CG2 4.3Å; L436-C559 PolarHBondContact N-O 3.36Å; L436-I560 HydrophobicContact CB-CG1 4.1Å; L436-I560 HydrophobicContact CB-CG2 4.45Å; L436-I560 HydrophobicContact CD1-CD1 4.06Å; L436-I560 HydrophobicContact CD1-CG1 4.1Å; L436-I560 HydrophobicContact CG-CG1 4.46Å; L436-I560 WeakPolarHBondContact O-CA 3.21Å; L436-C561 PolarHBondContact O-N 3.35Å; L436-F582 WeakPolarHBondContact O-CD1 3.47Å; L436-R583 WeakPolarHBondContact CA-O 3.45Å; L436-R583 HydrophobicContact CD2-CB 3.82Å; L436-R583 HydrophobicContact CD2-CG 4.28Å; L436-V585 HydrophobicContact CB-CG2 4.19Å; L436-V585 HydrophobicContact CD1-CG2 4.39Å; L436-V585 HydrophobicContact CD2-CG1 4.22Å
437	A	95.4	Very high	86	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.2	171.2	0	0	0	0	0	112.1	C561 Y563 L571 F582 R583 R584 V585	A437-C561 VanDerWaalsContact CA-O 3.25Å; A437-C561 WeakPolarHBondContact CA-O 3.37Å; A437-Y563 HydrophobicContact CB-CD1 4.13Å; A437-Y563 HydrophobicContact CB-CE1 3.88Å; A437-L571 HydrophobicContact CB-CD1 4.11Å; A437-L571 HydrophobicContact CB-CD2 3.78Å; A437-F582 HydrophobicContact CB-CB 3.68Å; A437-F582 HydrophobicContact CB-CD1 3.89Å; A437-F582 HydrophobicContact CB-CG 3.81Å; A437-R583 PolarHBondContact N-O 2.88Å; A437-R584 HydrophobicContact CB-CG 4.45Å; A437-R584 WeakPolarHBondContact O-CA 3.22Å; A437-V585 PolarHBondContact O-N 2.87Å
438	I	93.9	Very high	86.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125	-178.3	-59	178.4	0	0	0	110.1	C440 V452 I560 C561 F562 Y563 V585 V587	I438-C440 PolarHBondContact O-N 2.9Å; I438-V452 HydrophobicContact CD1-CG2 3.79Å; I438-I560 HydrophobicContact CD1-CG2 3.63Å; I438-I560 HydrophobicContact CG1-CG2 3.9Å; I438-C561 PolarHBondContact N-O 3.38Å; I438-F562 HydrophobicContact CB-CD1 3.85Å; I438-F562 HydrophobicContact CB-CE1 3.75Å; I438-F562 HydrophobicContact CD1-CE1 4.09Å; I438-F562 HydrophobicContact CD1-CZ 4.14Å; I438-F562 HydrophobicContact CG1-CE1 4.48Å; I438-F562 HydrophobicContact CG2-CD1 4.01Å; I438-F562 HydrophobicContact CG2-CE1 3.68Å; I438-F562 WeakPolarHBondContact O-CA 3.43Å; I438-Y563 VanDerWaalsContact O-CD1 3.3Å; I438-Y563 WeakPolarHBondContact O-CD1 3.29Å; I438-Y563 PolarHBondContact O-N 3.41Å; I438-V585 HydrophobicContact CD1-CG2 4.29Å; I438-V585 HydrophobicContact CG1-CG2 3.75Å; I438-V587 HydrophobicContact CG2-CG2 4.34Å
439	A	92.3	Very high	87.9	Confident	24 Å²	24	32 Å²	32	20%	0.198	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	112.5	174	0	0	0	0	0	110.2	Y563 N653 S654	A439-Y563 WeakPolarHBondContact CA-O 3.46Å; A439-Y563 HydrophobicContact CB-CE1 4.14Å; A439-Y563 HydrophobicContact CB-CE2 4.44Å; A439-N653 CarbonylContact O-C 3.49Å; A439-N653 WeakPolarHBondContact O-CA 3.35Å; A439-S654 PolarHBondContact O-OG 2.78Å
440	C	91.2	Very high	88.7	Confident	4 Å²	4	32.2 Å²	32.2	3%	0.027	17%	0.172	C	C	.	.			trans	-141	135.2	-174.2	-174.6	0	0	0	0	111.8	I438 R445 F562 Y563 Q564 N653 S654	I438-C440 PolarHBondContact O-N 2.9Å; C440-R445 VanDerWaalsContact SG-CA 3.58Å; C440-F562 HydrophobicContact CB-CD1 3.61Å; C440-F562 HydrophobicContact CB-CE1 4.11Å; C440-Y563 PolarHBondContact N-O 2.99Å; C440-Q564 WeakPolarHBondContact O-CG 3.09Å; C440-N653 WeakPolarHBondContact CA-O 3.37Å; C440-S654 WeakPolarHBondContact CA-OG 3.29Å; C440-S654 WeakPolarHBondContact CB-OG 3.5Å; C440-S654 PolarHBondContact SG-OG 2.97Å
441	H	89.3	Confident	89.5	Confident	81 Å²	81	32.7 Å²	32.7	38%	0.375	17%	0.174	S	C	.	.			trans	-71.9	147	166.8	-169.3	-113.4	0	0	0	110.8	S443 Q444 R445 N653	H441-S443 PolarHBondContact ND1-OG 3.26Å; H441-S443 PolarHBondContact O-N 3.08Å; H441-S443 VanDerWaalsContact O-N 3.12Å; H441-Q444 PolarHBondContact O-N 2.84Å; H441-R445 PolarHBondContact O-N 2.99Å; H441-N653 PolarHBondContact N-O 2.84Å
442	W	86.9	Confident	90.2	Very high	162 Å²	162	28.7 Å²	28.7	61%	0.614	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.9	-172.1	70.1	-91.8	0	0	0	113.4	R445	W442-R445 WeakPolarHBondContact O-CB 3.22Å
443	S	87.1	Confident	90.5	Very high	67 Å²	67	26.7 Å²	26.7	47%	0.469	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-32	-178.4	58	0	0	0	0	113.9	H441	H441-S443 PolarHBondContact ND1-OG 3.26Å; H441-S443 PolarHBondContact O-N 3.08Å; H441-S443 VanDerWaalsContact O-N 3.12Å
444	Q	87.1	Confident	90.4	Very high	33 Å²	33	27.6 Å²	27.6	15%	0.154	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-16	175.8	-63.5	121.2	7.9	0	0	112.7	H441 A446 A447 V448 S654 D655	H441-Q444 PolarHBondContact O-N 2.84Å; Q444-A446 PolarHBondContact O-N 2.85Å; Q444-A446 VanDerWaalsContact O-N 3.07Å; Q444-A447 PolarHBondContact O-N 3.48Å; Q444-V448 HydrophobicContact CB-CG2 4.13Å; Q444-V448 WeakPolarHBondContact O-CG2 3.14Å; Q444-V448 PolarHBondContact O-N 2.9Å; Q444-S654 PolarHBondContact OE1-O 3.38Å; Q444-D655 PolarHBondContact NE2-OD1 2.69Å; Q444-D655 PolarHBondContact OE1-OD1 3.48Å
445	R	90.6	Very high	90.1	Very high	26 Å²	26	25.5 Å²	25.5	10%	0.098	13%	0.134	C	C	.	.	H	α-helix	trans	-47.6	-43.3	-172.1	-174.6	-172.5	-68.4	166.6	-5.6	113.4	C440 H441 W442 A447 V448 I449 E472 C534	C440-R445 VanDerWaalsContact SG-CA 3.58Å; H441-R445 PolarHBondContact O-N 2.99Å; W442-R445 WeakPolarHBondContact O-CB 3.22Å; R445-A447 PolarHBondContact O-N 2.91Å; R445-V448 PolarHBondContact O-N 2.95Å; R445-I449 HydrophobicContact CG-CD1 3.77Å; R445-I449 HydrophobicContact CG-CG1 4.38Å; R445-I449 WeakPolarHBondContact O-CB 3.5Å; R445-I449 WeakPolarHBondContact O-CG1 3.45Å; R445-I449 PolarHBondContact O-N 2.72Å; R445-E472 IonicContact NH1-OE1 3.84Å; R445-E472 PolarHBondContact NH1-OE1 2.87Å; R445-C534 PolarHBondContact NE-O 3.22Å; R445-C534 PolarHBondContact NH1-O 3.09Å; R445-C534 PolarHBondContact NH2-O 3.23Å
446	A	90.8	Very high	89.7	Confident	16 Å²	16	28.5 Å²	28.5	13%	0.132	15%	0.145	C	C	.	.	H	α-helix	trans	-64.1	-39.4	-179.9	0	0	0	0	0	113.3	Q444 G450 L476 N479	Q444-A446 PolarHBondContact O-N 2.85Å; Q444-A446 VanDerWaalsContact O-N 3.07Å; A446-G450 PolarHBondContact O-N 3.49Å; A446-L476 HydrophobicContact CB-CD1 3.57Å; A446-N479 HydrophobicContact CB-CB 4.23Å
447	A	87.8	Confident	89.1	Confident	22 Å²	22	29.3 Å²	29.3	18%	0.182	15%	0.151	C	C	.	.	H	α-helix	trans	-71.7	-46.3	176.4	0	0	0	0	0	111.8	Q444 R445 I449 G450 D451	Q444-A447 PolarHBondContact O-N 3.48Å; R445-A447 PolarHBondContact O-N 2.91Å; A447-I449 PolarHBondContact O-N 3.24Å; A447-G450 PolarHBondContact O-N 3.34Å; A447-D451 PolarHBondContact O-N 3.46Å
448	V	90	Very high	88.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-33.5	177	-174.9	0	0	0	0	111.4	Q444 R445 V452 F562 V587	Q444-V448 HydrophobicContact CB-CG2 4.13Å; Q444-V448 WeakPolarHBondContact O-CG2 3.14Å; Q444-V448 PolarHBondContact O-N 2.9Å; R445-V448 PolarHBondContact O-N 2.95Å; V448-V452 HydrophobicContact CG1-CG2 4.27Å; V448-V452 WeakPolarHBondContact O-CB 3.19Å; V448-V452 VanDerWaalsContact O-CG2 3.22Å; V448-V452 WeakPolarHBondContact O-CG2 3.47Å; V448-V452 PolarHBondContact O-N 2.85Å; V448-F562 HydrophobicContact CB-CE1 4.16Å; V448-F562 HydrophobicContact CB-CZ 4.36Å; V448-F562 HydrophobicContact CG1-CE1 3.51Å; V448-F562 HydrophobicContact CG1-CZ 3.77Å; V448-V587 HydrophobicContact CG1-CB 4.45Å; V448-V587 HydrophobicContact CG1-CG1 4.05Å; V448-V587 HydrophobicContact CG1-CG2 3.82Å; V448-V587 HydrophobicContact CG2-CG2 4.22Å
449	I	92.1	Very high	86.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-44.8	172.7	-75.9	173	0	0	0	111.6	R445 A447 D451 V452 I453 V465 L476 I482 V532 F562	R445-I449 HydrophobicContact CG-CD1 3.77Å; R445-I449 HydrophobicContact CG-CG1 4.38Å; R445-I449 WeakPolarHBondContact O-CB 3.5Å; R445-I449 WeakPolarHBondContact O-CG1 3.45Å; R445-I449 PolarHBondContact O-N 2.72Å; A447-I449 PolarHBondContact O-N 3.24Å; I449-D451 PolarHBondContact O-N 3.14Å; I449-V452 PolarHBondContact O-N 2.91Å; I449-I453 HydrophobicContact CG2-CD1 3.68Å; I449-I453 HydrophobicContact CG2-CG1 4.41Å; I449-I453 WeakPolarHBondContact O-CD1 3.15Å; I449-I453 WeakPolarHBondContact O-CG1 2.86Å; I449-I453 PolarHBondContact O-N 2.81Å; I449-V465 HydrophobicContact CD1-CG1 4.02Å; I449-V465 HydrophobicContact CG2-CG1 4.5Å; I449-V465 HydrophobicContact CG2-CG2 4.16Å; I449-L476 HydrophobicContact CD1-CD1 4.48Å; I449-L476 HydrophobicContact CD1-CD2 3.98Å; I449-I482 HydrophobicContact CG2-CD1 3.92Å; I449-I482 HydrophobicContact CG2-CG1 4.32Å; I449-V532 HydrophobicContact CD1-CG1 4.13Å; I449-V532 HydrophobicContact CG1-CG1 4.08Å; I449-F562 HydrophobicContact CD1-CD2 4.38Å; I449-F562 HydrophobicContact CD1-CE2 4.21Å; I449-F562 HydrophobicContact CG1-CD2 4.11Å; I449-F562 HydrophobicContact CG1-CE2 3.47Å; I449-F562 VanDerWaalsContact CG1-CE2 3.47Å; I449-F562 HydrophobicContact CG1-CZ 3.92Å
450	G	88.8	Confident	85.9	Confident	3 Å²	3	35.7 Å²	35.7	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-42.9	176.2	0	0	0	0	0	113.1	A446 A447 I453 Q454 Q484	A446-G450 PolarHBondContact O-N 3.49Å; A447-G450 PolarHBondContact O-N 3.34Å; G450-I453 PolarHBondContact O-N 2.96Å; G450-Q454 PolarHBondContact O-N 3.36Å; G450-Q454 VanDerWaalsContact O-N 3.08Å; G450-Q484 PolarHBondContact O-NE2 2.91Å
451	D	87.6	Confident	85.3	Confident	17 Å²	17	35.9 Å²	35.9	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-67	-41.4	176.9	-58.9	-45.9	0	0	0	112	A447 I449 Q454 V455 I593 R649	A447-D451 PolarHBondContact O-N 3.46Å; I449-D451 PolarHBondContact O-N 3.14Å; D451-Q454 PolarHBondContact O-N 2.97Å; D451-V455 WeakPolarHBondContact O-CG2 3.23Å; D451-V455 PolarHBondContact O-N 3.14Å; D451-V455 VanDerWaalsContact O-N 3.07Å; D451-I593 HydrophobicContact CB-CD1 3.79Å; D451-I593 HydrophobicContact CB-CG1 4.24Å; D451-R649 IonicContact OD2-CZ 2.87Å; D451-R649 IonicContact OD2-NH1 2.78Å; D451-R649 PolarHBondContact OD2-NH1 3.12Å; D451-R649 IonicContact OD2-NH2 3.96Å; D451-R649 PolarHBondContact OD2-NH2 2.93Å
452	V	91	Very high	85.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-39.8	175.2	158.6	0	0	0	0	111.9	I438 V448 I449 V455 Y456 L530 V532 I560 F562 P588	I438-V452 HydrophobicContact CD1-CG2 3.79Å; V448-V452 HydrophobicContact CG1-CG2 4.27Å; V448-V452 WeakPolarHBondContact O-CB 3.19Å; V448-V452 VanDerWaalsContact O-CG2 3.22Å; V448-V452 WeakPolarHBondContact O-CG2 3.47Å; V448-V452 PolarHBondContact O-N 2.85Å; I449-V452 PolarHBondContact O-N 2.91Å; V452-V455 PolarHBondContact O-N 3.38Å; V452-Y456 HydrophobicContact CG1-CD2 4.02Å; V452-Y456 WeakPolarHBondContact O-CB 3.29Å; V452-Y456 WeakPolarHBondContact O-CD2 3.43Å; V452-Y456 PolarHBondContact O-N 3.06Å; V452-L530 HydrophobicContact CG1-CD2 4.2Å; V452-V532 HydrophobicContact CG1-CG2 4.42Å; V452-I560 HydrophobicContact CG1-CD1 3.58Å; V452-F562 HydrophobicContact CG2-CZ 4.18Å; V452-P588 HydrophobicContact CG2-CG 3.83Å
453	I	90.3	Very high	85.6	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-45.5	174.1	-69.6	163.7	0	0	0	110	I449 G450 V455 S457 G458 T463 V465 I482 Q484 V512 L530	I449-I453 HydrophobicContact CG2-CD1 3.68Å; I449-I453 HydrophobicContact CG2-CG1 4.41Å; I449-I453 WeakPolarHBondContact O-CD1 3.15Å; I449-I453 WeakPolarHBondContact O-CG1 2.86Å; I449-I453 PolarHBondContact O-N 2.81Å; G450-I453 PolarHBondContact O-N 2.96Å; I453-V455 VanDerWaalsContact C-N 3.29Å; I453-V455 PolarHBondContact O-N 2.93Å; I453-S457 WeakPolarHBondContact O-CA 3.27Å; I453-S457 VanDerWaalsContact O-CB 3.25Å; I453-S457 WeakPolarHBondContact O-CB 3.18Å; I453-S457 PolarHBondContact O-N 3.34Å; I453-G458 PolarHBondContact O-N 2.98Å; I453-T463 HydrophobicContact CD1-CG2 4.25Å; I453-T463 HydrophobicContact CG1-CG2 3.97Å; I453-V465 HydrophobicContact CD1-CG2 4.37Å; I453-I482 HydrophobicContact CD1-CG2 4.45Å; I453-Q484 HydrophobicContact CG2-CB 4.47Å; I453-Q484 VanDerWaalsContact CG2-CD 3.48Å; I453-Q484 HydrophobicContact CG2-CG 3.75Å; I453-V512 HydrophobicContact CD1-CG1 4.05Å; I453-V512 HydrophobicContact CD1-CG2 3.99Å; I453-V512 HydrophobicContact CG2-CG2 4.21Å; I453-L530 HydrophobicContact CG1-CD2 4.19Å
454	Q	84.9	Confident	85.9	Confident	27 Å²	27	24.6 Å²	24.6	13%	0.126	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-33.8	179.9	-162.3	65.3	45.6	0	0	113.2	G450 D451 G458 S596 D600	G450-Q454 PolarHBondContact O-N 3.36Å; G450-Q454 VanDerWaalsContact O-N 3.08Å; D451-Q454 PolarHBondContact O-N 2.97Å; Q454-G458 WeakPolarHBondContact O-CA 3.29Å; Q454-S596 WeakPolarHBondContact O-CB 3.47Å; Q454-S596 PolarHBondContact O-OG 3.28Å; Q454-D600 PolarHBondContact NE2-OD2 3.15Å
455	V	86.3	Confident	86.2	Confident	39 Å²	39	23 Å²	23	24%	0.236	12%	0.119	C	C	.	.	H	α-helix	trans	-89	-38.9	-177	173.5	0	0	0	0	113.1	D451 V452 I453 P588 D592 I593	D451-V455 WeakPolarHBondContact O-CG2 3.23Å; D451-V455 PolarHBondContact O-N 3.14Å; D451-V455 VanDerWaalsContact O-N 3.07Å; V452-V455 PolarHBondContact O-N 3.38Å; I453-V455 VanDerWaalsContact C-N 3.29Å; I453-V455 PolarHBondContact O-N 2.93Å; V455-P588 HydrophobicContact CB-CB 4.17Å; V455-P588 HydrophobicContact CB-CG 4.26Å; V455-P588 HydrophobicContact CG1-CB 4.24Å; V455-P588 HydrophobicContact CG1-CG 4.45Å; V455-P588 HydrophobicContact CG2-CB 3.82Å; V455-P588 HydrophobicContact CG2-CG 4.37Å; V455-D592 HydrophobicContact CG1-CB 4.37Å; V455-D592 HydrophobicContact CG2-CB 4.25Å; V455-I593 HydrophobicContact CG2-CG1 3.95Å
456	Y	85.4	Confident	86.5	Confident	73 Å²	73	21.8 Å²	21.8	29%	0.286	11%	0.114	S	C	.	.	H	α-helix	trans	-100.1	-21.8	-174.8	-69.8	-85.3	0	0	0	114.8	L436 V452 I558 I560 P588	L436-Y456 HydrophobicContact CD1-CD1 4.46Å; L436-Y456 HydrophobicContact CD1-CE1 3.65Å; V452-Y456 HydrophobicContact CG1-CD2 4.02Å; V452-Y456 WeakPolarHBondContact O-CB 3.29Å; V452-Y456 WeakPolarHBondContact O-CD2 3.43Å; V452-Y456 PolarHBondContact O-N 3.06Å; Y456-I558 HydrophobicContact CD1-CD1 3.75Å; Y456-I558 HydrophobicContact CD1-CG2 4.27Å; Y456-I558 HydrophobicContact CE1-CD1 4.47Å; Y456-I560 HydrophobicContact CD1-CD1 4.35Å; Y456-I560 HydrophobicContact CD2-CD1 3.74Å; Y456-I560 HydrophobicContact CE2-CD1 3.91Å; Y456-I560 HydrophobicContact CG-CD1 3.96Å; Y456-P588 HydrophobicContact CE2-CG 4.09Å
457	S	82.8	Confident	86.6	Confident	19 Å²	19	21 Å²	21	13%	0.133	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-37.3	175.6	-138.5	0	0	0	0	111.6	I453 G461 T463	I453-S457 WeakPolarHBondContact O-CA 3.27Å; I453-S457 VanDerWaalsContact O-CB 3.25Å; I453-S457 WeakPolarHBondContact O-CB 3.18Å; I453-S457 PolarHBondContact O-N 3.34Å; S457-G461 WeakPolarHBondContact O-CA 3.47Å; S457-G461 PolarHBondContact O-N 3.47Å; S457-G461 VanDerWaalsContact OG-C 3.32Å; S457-G461 WeakPolarHBondContact OG-CA 3.18Å; S457-T463 WeakPolarHBondContact CB-OG1 3.18Å; S457-T463 PolarHBondContact OG-OG1 2.87Å; S457-T463 VanDerWaalsContact OG-OG1 3.07Å
458	G	74.4	Confident	86.7	Confident	6 Å²	6	23.8 Å²	23.8	6%	0.062	12%	0.117	C	C	.	.			trans	67.4	-178.7	-174.9	0	0	0	0	0	112.8	I453 Q454 H460 G461	I453-G458 PolarHBondContact O-N 2.98Å; Q454-G458 WeakPolarHBondContact O-CA 3.29Å; G458-H460 PolarHBondContact O-N 3.39Å; G458-G461 PolarHBondContact O-N 3.08Å
459	S	68.2	Low	86.8	Confident	17 Å²	17	27.3 Å²	27.3	12%	0.119	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.5	-174.1	60.2	0	0	0	0	117.7	D600	S459-D600 WeakPolarHBondContact CB-OD1 3.34Å; S459-D600 WeakPolarHBondContact CB-OD2 3.31Å; S459-D600 PolarHBondContact N-OD1 2.81Å; S459-D600 PolarHBondContact N-OD2 2.91Å; S459-D600 PolarHBondContact OG-OD1 3.3Å
460	H	70.9	Confident	86.8	Confident	135 Å²	135	31.6 Å²	31.6	63%	0.625	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.9	-3.3	-174.6	-70.7	70.1	0	0	0	113.3	G458	G458-H460 PolarHBondContact O-N 3.39Å
461	G	79.3	Confident	87	Confident	8 Å²	8	37.6 Å²	37.6	8%	0.082	18%	0.182	C	C	.	.			trans	-77.9	150.4	179	0	0	0	0	0	112	S457 G458 D529	S457-G461 WeakPolarHBondContact O-CA 3.47Å; S457-G461 PolarHBondContact O-N 3.47Å; S457-G461 VanDerWaalsContact OG-C 3.32Å; S457-G461 WeakPolarHBondContact OG-CA 3.18Å; G458-G461 PolarHBondContact O-N 3.08Å; G461-D529 WeakPolarHBondContact CA-OD2 3.35Å
462	R	89.1	Confident	87.3	Confident	73 Å²	73	38.8 Å²	38.8	28%	0.275	19%	0.187	S	C	.	.			trans	-93.5	131.7	172.7	-67.6	-171	-174.4	82.1	0.7	110.2	F505 R506 E511 V528 D529 L530	R462-F505 HydrophobicContact CB-CE1 4.5Å; R462-F505 HydrophobicContact CB-CE2 4.35Å; R462-F505 HydrophobicContact CB-CZ 3.89Å; R462-F505 HydrophobicContact CG-CZ 4.41Å; R462-F505 PolarHBondContact NE-O 3.5Å; R462-F505 VanDerWaalsContact NE-O 3.08Å; R462-R506 PolarHBondContact NH2-O 3.44Å; R462-E511 WeakPolarHBondContact CA-O 3.41Å; R462-V528 HydrophobicContact CB-CB 4.15Å; R462-V528 HydrophobicContact CB-CG1 3.84Å; R462-V528 WeakPolarHBondContact O-CB 3.41Å; R462-D529 PolarHBondContact N-OD2 2.62Å; R462-D529 PolarHBondContact O-N 2.88Å; R462-L530 PolarHBondContact O-N 2.7Å
463	T	92.4	Very high	87.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.5	175.1	-59.9	0	0	0	0	112.3	I453 S457 V465 F505 E511 V512 L513 L530 V532	I453-T463 HydrophobicContact CD1-CG2 4.25Å; I453-T463 HydrophobicContact CG1-CG2 3.97Å; S457-T463 WeakPolarHBondContact CB-OG1 3.18Å; S457-T463 PolarHBondContact OG-OG1 2.87Å; S457-T463 VanDerWaalsContact OG-OG1 3.07Å; T463-V465 HydrophobicContact CG2-CG2 3.98Å; T463-F505 WeakPolarHBondContact O-CZ 3.47Å; T463-E511 PolarHBondContact N-O 3.19Å; T463-V512 WeakPolarHBondContact O-CA 3.45Å; T463-L513 PolarHBondContact O-N 3.05Å; T463-L530 WeakPolarHBondContact CA-O 3.3Å; T463-L530 HydrophobicContact CG2-CB 4.19Å; T463-L530 HydrophobicContact CG2-CD2 3.93Å; T463-L530 HydrophobicContact CG2-CG 3.96Å; T463-V532 HydrophobicContact CG2-CG2 4.1Å
464	I	93.7	Very high	87.6	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.8	162.4	-47.2	169.3	0	0	0	109.4	F466 F505 L513 I525 V528 L530 V532 R549	I464-F466 HydrophobicContact CB-CE2 4.14Å; I464-F466 HydrophobicContact CG2-CD2 4.08Å; I464-F466 HydrophobicContact CG2-CE1 4.17Å; I464-F466 HydrophobicContact CG2-CE2 3.6Å; I464-F466 HydrophobicContact CG2-CZ 3.66Å; I464-F505 HydrophobicContact CG1-CE1 4.33Å; I464-F505 HydrophobicContact CG1-CZ 4.21Å; I464-L513 CarbonylContact C-O 3.58Å; I464-L513 WeakPolarHBondContact CA-O 3.38Å; I464-L513 WeakPolarHBondContact CG2-O 3.11Å; I464-I525 HydrophobicContact CD1-CD1 3.73Å; I464-I525 HydrophobicContact CD1-CG2 3.95Å; I464-V528 HydrophobicContact CD1-CB 4.47Å; I464-V528 HydrophobicContact CD1-CG1 3.99Å; I464-V528 HydrophobicContact CD1-CG2 3.78Å; I464-V528 HydrophobicContact CG1-CB 4.33Å; I464-V528 HydrophobicContact CG1-CG1 3.86Å; I464-V528 HydrophobicContact CG1-CG2 4.01Å; I464-L530 PolarHBondContact N-O 3.2Å; I464-L530 VanDerWaalsContact N-O 3.09Å; I464-V532 PolarHBondContact O-N 2.99Å; I464-R549 HydrophobicContact CD1-CB 3.62Å; I464-R549 HydrophobicContact CD1-CG 3.82Å
465	V	94.8	Very high	88	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.2	176.3	-174.1	0	0	0	0	109.6	I449 I453 T463 L476 V512 L513 V514 A515 V532	I449-V465 HydrophobicContact CD1-CG1 4.02Å; I449-V465 HydrophobicContact CG2-CG1 4.5Å; I449-V465 HydrophobicContact CG2-CG2 4.16Å; I453-V465 HydrophobicContact CD1-CG2 4.37Å; T463-V465 HydrophobicContact CG2-CG2 3.98Å; V465-L476 HydrophobicContact CG1-CD2 3.69Å; V465-V512 HydrophobicContact CG2-CG1 3.93Å; V465-L513 PolarHBondContact N-O 3.11Å; V465-V514 HydrophobicContact CB-CG1 4.36Å; V465-V514 HydrophobicContact CB-CG2 4.33Å; V465-V514 CarbonylContact O-C 3.58Å; V465-V514 WeakPolarHBondContact O-CA 3.46Å; V465-A515 PolarHBondContact O-N 3.17Å; V465-V532 HydrophobicContact CB-CB 4.43Å; V465-V532 HydrophobicContact CG1-CB 4.25Å; V465-V532 HydrophobicContact CG1-CG1 4.08Å; V465-V532 HydrophobicContact CG2-CB 4.19Å
466	F	95.3	Very high	88.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.1	-177.4	-76.2	-72.4	0	0	0	113.2	I464 A515 A519 A520 V531 V532 Q533 C534 R546 R549	I464-F466 HydrophobicContact CB-CE2 4.14Å; I464-F466 HydrophobicContact CG2-CD2 4.08Å; I464-F466 HydrophobicContact CG2-CE1 4.17Å; I464-F466 HydrophobicContact CG2-CE2 3.6Å; I464-F466 HydrophobicContact CG2-CZ 3.66Å; F466-A515 CarbonylContact C-O 3.51Å; F466-A515 WeakPolarHBondContact CA-O 3.49Å; F466-A519 HydrophobicContact CE1-CB 3.88Å; F466-A519 HydrophobicContact CZ-CB 4.35Å; F466-A520 HydrophobicContact CD1-CB 4.45Å; F466-A520 HydrophobicContact CE1-CB 3.81Å; F466-A520 HydrophobicContact CZ-CB 4.19Å; F466-V531 HydrophobicContact CD2-CG1 3.9Å; F466-V531 HydrophobicContact CE2-CG1 3.99Å; F466-V532 PolarHBondContact N-O 3.45Å; F466-Q533 HydrophobicContact CB-CG 4.32Å; F466-C534 WeakPolarHBondContact O-CB 3.49Å; F466-C534 PolarHBondContact O-N 3.45Å; F466-R546 HydrophobicContact CB-CG 4.39Å; F466-R546 HydrophobicContact CD1-CG 3.94Å; F466-R546 HydrophobicContact CD2-CB 3.81Å; F466-R546 HydrophobicContact CD2-CG 3.71Å; F466-R546 HydrophobicContact CE1-CG 4.1Å; F466-R546 HydrophobicContact CE2-CB 3.82Å; F466-R546 HydrophobicContact CE2-CG 3.87Å; F466-R546 HydrophobicContact CG-CB 4.35Å; F466-R546 HydrophobicContact CG-CG 3.74Å; F466-R546 HydrophobicContact CZ-CB 4.37Å; F466-R546 HydrophobicContact CZ-CG 4.07Å; F466-R549 HydrophobicContact CE2-CG 4.17Å; F466-R549 HydrophobicContact CZ-CG 4.08Å
467	C	93.8	Very high	88.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.			trans	-101	157.8	175.1	-56.5	0	0	0	0	111.7	E472 A473 A515	C467-E472 HydrophobicContact CB-CB 4.12Å; C467-E472 HydrophobicContact CB-CG 3.89Å; C467-E472 WeakPolarHBondContact CB-OE2 3.49Å; C467-A473 HydrophobicContact CB-CB 4.13Å; C467-A515 PolarHBondContact N-O 3.25Å
468	E	89.8	Confident	89	Confident	80 Å²	80	47.8 Å²	47.8	37%	0.374	23%	0.234	S	C	.	.	S	Bend	trans	-80.3	-40.1	172.6	-85.6	-174.7	-116.5	0	0	111.7	E472 S535 K538	E468-E472 PolarHBondContact N-OE2 3.14Å; E468-S535 PolarHBondContact OE1-OG 3.15Å; E468-K538 IonicContact OE2-NZ 3.2Å; E468-K538 PolarHBondContact OE2-NZ 3.41Å
469	T	91.4	Very high	89.8	Confident	74 Å²	74	50 Å²	50	45%	0.454	25%	0.245	S	C	.	.	S	Bend	trans	-110.6	149.7	-173	76.9	0	0	0	0	112.7	K471 E472 A473	T469-K471 PolarHBondContact O-N 2.96Å; T469-E472 PolarHBondContact O-N 2.65Å; T469-E472 WeakPolarHBondContact OG1-CB 3.41Å; T469-E472 PolarHBondContact OG1-N 3.28Å; T469-A473 PolarHBondContact O-N 3.49Å
470	K	92.9	Very high	90.5	Very high	90 Å²	90	53.9 Å²	53.9	39%	0.391	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-33.5	174.4	-45.1	179.9	-159.6	168.5	0	111.7	N474 H490 D492 T516	K470-N474 PolarHBondContact O-N 2.89Å; K470-H490 HydrophobicContact CB-CB 4.07Å; K470-H490 HydrophobicContact CG-CB 4.11Å; K470-D492 HydrophobicContact CD-CB 4.45Å; K470-D492 WeakPolarHBondContact CD-OD2 3.31Å; K470-D492 WeakPolarHBondContact CE-OD2 3.48Å; K470-D492 IonicContact NZ-OD1 3.64Å; K470-D492 PolarHBondContact NZ-OD1 2.84Å; K470-D492 IonicContact NZ-OD2 2.73Å; K470-D492 PolarHBondContact NZ-OD2 3.23Å; K470-T516 HydrophobicContact CG-CG2 4.46Å
471	K	93.2	Very high	90.9	Very high	130 Å²	130	49.9 Å²	49.9	57%	0.565	27%	0.265	S	S	*	.	H	α-helix	trans	-66.1	-52.7	177	-176.1	179.1	-178.3	-86.5	0	111.1	T469 A473 N474 E475	T469-K471 PolarHBondContact O-N 2.96Å; K471-A473 VanDerWaalsContact C-N 3.26Å; K471-A473 PolarHBondContact O-N 2.83Å; K471-N474 PolarHBondContact O-N 3.44Å; K471-N474 VanDerWaalsContact O-N 3.08Å; K471-E475 VanDerWaalsContact CE-OE1 3.25Å; K471-E475 WeakPolarHBondContact CE-OE1 3.49Å; K471-E475 HydrophobicContact CG-CG 4.33Å; K471-E475 WeakPolarHBondContact CG-OE2 3.26Å; K471-E475 IonicContact NZ-OE1 2.68Å; K471-E475 PolarHBondContact NZ-OE1 3.41Å; K471-E475 IonicContact NZ-OE2 3.37Å; K471-E475 PolarHBondContact NZ-OE2 2.83Å; K471-E475 PolarHBondContact O-N 2.87Å
472	E	93	Very high	91.1	Very high	41 Å²	41	50.2 Å²	50.2	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-55.1	-42	175.3	-176.6	-175.6	-154.6	0	0	111.2	R445 C467 E468 T469 N474 E475 L476	R445-E472 IonicContact NH1-OE1 3.84Å; R445-E472 PolarHBondContact NH1-OE1 2.87Å; C467-E472 HydrophobicContact CB-CB 4.12Å; C467-E472 HydrophobicContact CB-CG 3.89Å; C467-E472 WeakPolarHBondContact CB-OE2 3.49Å; E468-E472 PolarHBondContact N-OE2 3.14Å; T469-E472 PolarHBondContact O-N 2.65Å; T469-E472 WeakPolarHBondContact OG1-CB 3.41Å; T469-E472 PolarHBondContact OG1-N 3.28Å; E472-N474 VanDerWaalsContact C-N 3.31Å; E472-N474 PolarHBondContact O-N 3.09Å; E472-E475 PolarHBondContact O-N 2.86Å; E472-L476 WeakPolarHBondContact O-CB 3.48Å; E472-L476 PolarHBondContact O-N 2.99Å
473	A	93.8	Very high	90.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-32.3	178	0	0	0	0	0	114	C467 T469 K471 A477 V514 T516	C467-A473 HydrophobicContact CB-CB 4.13Å; T469-A473 PolarHBondContact O-N 3.49Å; K471-A473 VanDerWaalsContact C-N 3.26Å; K471-A473 PolarHBondContact O-N 2.83Å; A473-A477 VanDerWaalsContact O-CB 3.28Å; A473-A477 WeakPolarHBondContact O-CB 3.46Å; A473-A477 PolarHBondContact O-N 3.4Å; A473-V514 HydrophobicContact CB-CG1 4.2Å; A473-V514 WeakPolarHBondContact O-CG1 3.49Å; A473-T516 HydrophobicContact CB-CG2 4.25Å
474	N	93.7	Very high	89.6	Confident	49 Å²	49	54.2 Å²	54.2	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-81.8	-45.2	175.4	-70.8	-22.2	0	0	0	112.2	K470 K471 E472 L476 A477 M478 S488 H490	K470-N474 PolarHBondContact O-N 2.89Å; K471-N474 PolarHBondContact O-N 3.44Å; K471-N474 VanDerWaalsContact O-N 3.08Å; E472-N474 VanDerWaalsContact C-N 3.31Å; E472-N474 PolarHBondContact O-N 3.09Å; N474-L476 PolarHBondContact O-N 2.94Å; N474-A477 PolarHBondContact O-N 2.97Å; N474-M478 WeakPolarHBondContact O-CB 3.48Å; N474-M478 WeakPolarHBondContact O-CG 3.45Å; N474-M478 PolarHBondContact O-N 2.8Å; N474-S488 WeakPolarHBondContact OD1-CB 3.05Å; N474-S488 PolarHBondContact OD1-OG 3.24Å; N474-H490 PolarHBondContact ND2-NE2 2.91Å; N474-H490 PolarHBondContact OD1-CD2 3.24Å; N474-H490 PolarHBondContact OD1-NE2 2.96Å
475	E	93	Very high	89.1	Confident	105 Å²	105	56.3 Å²	56.3	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-62.2	-31.5	178.6	-71.1	-179.1	140.3	0	0	112	K471 E472 N479	K471-E475 VanDerWaalsContact CE-OE1 3.25Å; K471-E475 WeakPolarHBondContact CE-OE1 3.49Å; K471-E475 HydrophobicContact CG-CG 4.33Å; K471-E475 WeakPolarHBondContact CG-OE2 3.26Å; K471-E475 IonicContact NZ-OE1 2.68Å; K471-E475 PolarHBondContact NZ-OE1 3.41Å; K471-E475 IonicContact NZ-OE2 3.37Å; K471-E475 PolarHBondContact NZ-OE2 2.83Å; K471-E475 PolarHBondContact O-N 2.87Å; E472-E475 PolarHBondContact O-N 2.86Å; E475-N479 WeakPolarHBondContact O-CB 3.41Å; E475-N479 PolarHBondContact O-N 3.07Å
476	L	93.6	Very high	89	Confident	12 Å²	12	57.3 Å²	57.3	6%	0.063	31%	0.306	C	S	.	.	H	α-helix	trans	-79.4	-39.7	175.3	-173.5	58.8	0	0	0	112.6	A446 I449 V465 E472 N474 M478 N479 I482 V514	A446-L476 HydrophobicContact CB-CD1 3.57Å; I449-L476 HydrophobicContact CD1-CD1 4.48Å; I449-L476 HydrophobicContact CD1-CD2 3.98Å; V465-L476 HydrophobicContact CG1-CD2 3.69Å; E472-L476 WeakPolarHBondContact O-CB 3.48Å; E472-L476 PolarHBondContact O-N 2.99Å; N474-L476 PolarHBondContact O-N 2.94Å; L476-M478 VanDerWaalsContact C-N 3.25Å; L476-M478 PolarHBondContact O-N 3.36Å; L476-N479 VanDerWaalsContact O-CB 3.25Å; L476-N479 WeakPolarHBondContact O-CB 3.33Å; L476-N479 PolarHBondContact O-N 3.35Å; L476-N479 VanDerWaalsContact O-N 3.13Å; L476-I482 HydrophobicContact CD1-CD1 3.8Å; L476-I482 HydrophobicContact CG-CD1 3.93Å; L476-V514 HydrophobicContact CB-CG1 4.16Å; L476-V514 HydrophobicContact CD2-CG1 4.09Å; L476-V514 HydrophobicContact CG-CG1 4.26Å
477	A	92.4	Very high	88.9	Confident	19 Å²	19	61.6 Å²	61.6	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-66.9	-25.2	176.2	0	0	0	0	0	113.6	A473 N474 S486 V514	A473-A477 VanDerWaalsContact O-CB 3.28Å; A473-A477 WeakPolarHBondContact O-CB 3.46Å; A473-A477 PolarHBondContact O-N 3.4Å; N474-A477 PolarHBondContact O-N 2.97Å; A477-S486 VanDerWaalsContact CA-OG 3.29Å; A477-S486 WeakPolarHBondContact CA-OG 3.42Å; A477-S486 PolarHBondContact O-OG 2.96Å; A477-V514 HydrophobicContact CB-CB 4.1Å; A477-V514 HydrophobicContact CB-CG2 4Å
478	M	89.9	Confident	89	Confident	164 Å²	164	62.6 Å²	62.6	81%	0.808	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	6.5	174.6	-64	178.3	176.4	0	0	113	N474 L476	N474-M478 WeakPolarHBondContact O-CB 3.48Å; N474-M478 WeakPolarHBondContact O-CG 3.45Å; N474-M478 PolarHBondContact O-N 2.8Å; L476-M478 VanDerWaalsContact C-N 3.25Å; L476-M478 PolarHBondContact O-N 3.36Å
479	N	91	Very high	89	Confident	54 Å²	54	58.8 Å²	58.8	29%	0.289	32%	0.315	S	S	.	.			trans	-83.9	119.7	-174.3	-162.8	-74.9	0	0	0	111.7	A446 E475 L476 S481 I482	A446-N479 HydrophobicContact CB-CB 4.23Å; E475-N479 WeakPolarHBondContact O-CB 3.41Å; E475-N479 PolarHBondContact O-N 3.07Å; L476-N479 VanDerWaalsContact O-CB 3.25Å; L476-N479 WeakPolarHBondContact O-CB 3.33Å; L476-N479 PolarHBondContact O-N 3.35Å; L476-N479 VanDerWaalsContact O-N 3.13Å; N479-S481 PolarHBondContact O-N 3.07Å; N479-S481 VanDerWaalsContact OD1-CB 3.31Å; N479-S481 WeakPolarHBondContact OD1-CB 3.36Å; N479-S481 PolarHBondContact OD1-N 3.19Å; N479-S481 PolarHBondContact OD1-OG 2.8Å; N479-I482 PolarHBondContact O-N 2.94Å
480	A	84.6	Confident	89	Confident	97 Å²	97	55.9 Å²	55.9	80%	0.802	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.2	-178.1	0	0	0	0	0	114.9	I482	A480-I482 VanDerWaalsContact C-N 3.33Å
481	S	79.4	Confident	88.5	Confident	52 Å²	52	53.7 Å²	53.7	36%	0.364	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.1	174.6	-45.9	0	0	0	0	113.6	N479 K483	N479-S481 PolarHBondContact O-N 3.07Å; N479-S481 VanDerWaalsContact OD1-CB 3.31Å; N479-S481 WeakPolarHBondContact OD1-CB 3.36Å; N479-S481 PolarHBondContact OD1-N 3.19Å; N479-S481 PolarHBondContact OD1-OG 2.8Å; S481-K483 PolarHBondContact O-N 3.16Å
482	I	81.9	Confident	88.2	Confident	14 Å²	14	52.5 Å²	52.5	7%	0.072	30%	0.3	C	S	.	.			trans	-84.2	98.9	164.1	-59.5	-174.5	0	0	0	106.8	I449 I453 L476 N479 A480 Q484	I449-I482 HydrophobicContact CG2-CD1 3.92Å; I449-I482 HydrophobicContact CG2-CG1 4.32Å; I453-I482 HydrophobicContact CD1-CG2 4.45Å; L476-I482 HydrophobicContact CD1-CD1 3.8Å; L476-I482 HydrophobicContact CG-CD1 3.93Å; N479-I482 PolarHBondContact O-N 2.94Å; A480-I482 VanDerWaalsContact C-N 3.33Å; I482-Q484 VanDerWaalsContact C-N 3.26Å; I482-Q484 HydrophobicContact CG2-CB 4.45Å; I482-Q484 PolarHBondContact O-N 3.13Å
483	K	72.8	Confident	87.9	Confident	144 Å²	144	51.3 Å²	51.3	63%	0.626	29%	0.294	S	S	*	.			trans	-69.9	-26.3	-178.7	-62.1	179.8	-178.8	177.7	0	112.6	S481	S481-K483 PolarHBondContact O-N 3.16Å
484	Q	77.7	Confident	87.6	Confident	13 Å²	13	55.1 Å²	55.1	6%	0.061	32%	0.319	C	S	.	.	S	Bend	trans	-77.7	155.3	-176.3	-58.8	83.8	8	0	0	111.6	G450 I453 I482 S486 E511 V512	G450-Q484 PolarHBondContact O-NE2 2.91Å; I453-Q484 HydrophobicContact CG2-CB 4.47Å; I453-Q484 VanDerWaalsContact CG2-CD 3.48Å; I453-Q484 HydrophobicContact CG2-CG 3.75Å; I482-Q484 VanDerWaalsContact C-N 3.26Å; I482-Q484 HydrophobicContact CG2-CB 4.45Å; I482-Q484 PolarHBondContact O-N 3.13Å; Q484-S486 PolarHBondContact O-N 2.55Å; Q484-E511 WeakPolarHBondContact CB-OE2 3.16Å; Q484-V512 HydrophobicContact CB-CG2 3.7Å
485	S	84.3	Confident	86.9	Confident	45 Å²	45	54 Å²	54	32%	0.315	31%	0.312	S	S	.	.			trans	-64.4	120.7	179.4	62.4	0	0	0	0	111.2	F510 E511 V512	S485-F510 WeakPolarHBondContact OG-CA 3.25Å; S485-F510 WeakPolarHBondContact OG-CB 3.41Å; S485-E511 WeakPolarHBondContact CB-OE1 3.2Å; S485-E511 PolarHBondContact O-N 2.89Å; S485-E511 VanDerWaalsContact O-N 3.17Å; S485-E511 PolarHBondContact OG-N 3.17Å; S485-E511 PolarHBondContact OG-OE1 2.73Å; S485-V512 PolarHBondContact O-N 2.63Å
486	S	91.6	Very high	86.5	Confident	21 Å²	21	57.1 Å²	57.1	15%	0.147	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.1	-172.6	113.7	0	0	0	0	114.6	A477 Q484 V512	A477-S486 VanDerWaalsContact CA-OG 3.29Å; A477-S486 WeakPolarHBondContact CA-OG 3.42Å; A477-S486 PolarHBondContact O-OG 2.96Å; Q484-S486 PolarHBondContact O-N 2.55Å; S486-V512 VanDerWaalsContact CA-O 3.26Å; S486-V512 WeakPolarHBondContact CA-O 3.38Å
487	Q	94.1	Very high	86.3	Confident	90 Å²	90	61.2 Å²	61.2	42%	0.421	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.3	172.1	-69.3	-69.1	-77.8	0	0	111.4	T501 F510 V512 V514	Q487-T501 HydrophobicContact CB-CG2 3.78Å; Q487-T501 HydrophobicContact CG-CG2 4.44Å; Q487-F510 HydrophobicContact CB-CD1 4.49Å; Q487-F510 HydrophobicContact CB-CD2 4.09Å; Q487-F510 HydrophobicContact CB-CE1 4.09Å; Q487-F510 HydrophobicContact CB-CE2 3.65Å; Q487-F510 HydrophobicContact CB-CG 4.49Å; Q487-F510 HydrophobicContact CB-CZ 3.65Å; Q487-F510 HydrophobicContact CG-CD1 3.77Å; Q487-F510 HydrophobicContact CG-CD2 4.06Å; Q487-F510 HydrophobicContact CG-CE1 3.69Å; Q487-F510 HydrophobicContact CG-CE2 3.98Å; Q487-F510 HydrophobicContact CG-CG 3.96Å; Q487-F510 HydrophobicContact CG-CZ 3.8Å; Q487-V512 PolarHBondContact N-O 2.83Å; Q487-V512 VanDerWaalsContact N-O 3.08Å; Q487-V514 PolarHBondContact O-N 3.31Å
488	S	94.4	Very high	86	Confident	21 Å²	21	61 Å²	61	15%	0.147	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	153.1	176.6	70.9	0	0	0	0	113.8	N474 I493 V514	N474-S488 WeakPolarHBondContact OD1-CB 3.05Å; N474-S488 PolarHBondContact OD1-OG 3.24Å; S488-I493 WeakPolarHBondContact O-CD1 3.35Å; S488-V514 CarbonylContact C-O 3.19Å; S488-V514 WeakPolarHBondContact CA-O 3.48Å
489	L	90.8	Very high	85.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	104	174.7	-159.4	80.9	0	0	0	112.6	R498 T501 L502 L513 V514 A515 T516 A519 L523	L489-R498 HydrophobicContact CD1-CB 3.91Å; L489-R498 HydrophobicContact CD1-CG 3.88Å; L489-T501 HydrophobicContact CD1-CG2 4.1Å; L489-L502 HydrophobicContact CD1-CG 4.38Å; L489-L502 HydrophobicContact CD2-CD1 4.2Å; L489-L502 HydrophobicContact CD2-CD2 3.82Å; L489-L502 HydrophobicContact CD2-CG 4.01Å; L489-L513 HydrophobicContact CB-CD1 4.02Å; L489-L513 HydrophobicContact CD2-CD2 4.5Å; L489-V514 PolarHBondContact N-O 3.05Å; L489-A515 HydrophobicContact CB-CB 4.07Å; L489-A515 WeakPolarHBondContact O-CA 3.23Å; L489-T516 PolarHBondContact O-N 2.93Å; L489-A519 HydrophobicContact CD2-CB 4.24Å; L489-L523 HydrophobicContact CD2-CD1 3.78Å
490	H	90.1	Very high	85.5	Confident	12 Å²	12	58.5 Å²	58.5	6%	0.056	33%	0.329	C	S	.	.			trans	-143.8	171.5	179.2	65.4	54.1	0	0	0	112.8	K470 N474 D492 I493 T516	K470-H490 HydrophobicContact CB-CB 4.07Å; K470-H490 HydrophobicContact CG-CB 4.11Å; N474-H490 PolarHBondContact ND2-NE2 2.91Å; N474-H490 PolarHBondContact OD1-CD2 3.24Å; N474-H490 PolarHBondContact OD1-NE2 2.96Å; H490-D492 VanDerWaalsContact C-N 3.3Å; H490-D492 PolarHBondContact ND1-N 2.91Å; H490-D492 VanDerWaalsContact ND1-N 3.17Å; H490-D492 PolarHBondContact O-N 3.39Å; H490-I493 VanDerWaalsContact CE1-CG1 3.42Å; H490-I493 WeakPolarHBondContact CE1-CG1 3.39Å; H490-I493 PolarHBondContact ND1-N 3.13Å; H490-I493 PolarHBondContact O-N 2.79Å; H490-I493 VanDerWaalsContact O-N 3.1Å; H490-T516 HydrophobicContact CB-CG2 4.05Å
491	G	83.6	Confident	85.8	Confident	44 Å²	44	54.3 Å²	54.3	45%	0.454	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.2	-172.8	0	0	0	0	0	115.9	I493	G491-I493 VanDerWaalsContact C-N 3.29Å; G491-I493 PolarHBondContact O-N 3.21Å
492	D	86.1	Confident	86.1	Confident	106 Å²	106	52.2 Å²	52.2	57%	0.567	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-2.3	-179	-54.6	-17.3	0	0	0	113.6	K470 H490	K470-D492 HydrophobicContact CD-CB 4.45Å; K470-D492 WeakPolarHBondContact CD-OD2 3.31Å; K470-D492 WeakPolarHBondContact CE-OD2 3.48Å; K470-D492 IonicContact NZ-OD1 3.64Å; K470-D492 PolarHBondContact NZ-OD1 2.84Å; K470-D492 IonicContact NZ-OD2 2.73Å; K470-D492 PolarHBondContact NZ-OD2 3.23Å; H490-D492 VanDerWaalsContact C-N 3.3Å; H490-D492 PolarHBondContact ND1-N 2.91Å; H490-D492 VanDerWaalsContact ND1-N 3.17Å; H490-D492 PolarHBondContact O-N 3.39Å
493	I	88	Confident	86.4	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.082	30%	0.303	C	S	.	.	S	Bend	trans	-77.9	128.4	172	-56.4	-169.6	0	0	0	108.3	S488 H490 G491 Q497 R498	S488-I493 WeakPolarHBondContact O-CD1 3.35Å; H490-I493 VanDerWaalsContact CE1-CG1 3.42Å; H490-I493 WeakPolarHBondContact CE1-CG1 3.39Å; H490-I493 PolarHBondContact ND1-N 3.13Å; H490-I493 PolarHBondContact O-N 2.79Å; H490-I493 VanDerWaalsContact O-N 3.1Å; G491-I493 VanDerWaalsContact C-N 3.29Å; G491-I493 PolarHBondContact O-N 3.21Å; I493-Q497 HydrophobicContact CG2-CB 3.73Å; I493-Q497 HydrophobicContact CG2-CG 3.64Å; I493-R498 HydrophobicContact CB-CG 3.69Å; I493-R498 HydrophobicContact CG2-CG 3.74Å; I493-R498 WeakPolarHBondContact O-CD 3.35Å; I493-R498 WeakPolarHBondContact O-CG 3.45Å
494	P	86.4	Confident	87.2	Confident	80 Å²	80	51.8 Å²	51.8	52%	0.519	28%	0.279	S	S	.	.			trans	-53	142.3	177.4	-28.2	35.8	0	0	0	113.1	K496 Q497 R498	P494-K496 VanDerWaalsContact C-N 3.33Å; P494-K496 PolarHBondContact O-N 3.34Å; P494-Q497 WeakPolarHBondContact O-CA 3.48Å; P494-Q497 WeakPolarHBondContact O-CB 3.48Å; P494-Q497 PolarHBondContact O-N 2.88Å; P494-R498 PolarHBondContact O-N 3.28Å
495	Q	79.6	Confident	87.8	Confident	25 Å²	25	51.1 Å²	51.1	12%	0.117	28%	0.276	C	S	.	.	H	α-helix	trans	-51.2	-47.5	-173.8	-173.8	65.1	34.3	0	0	113.2	E293 Q497 R498 E499	E293-Q495 PolarHBondContact OE1-NE2 3.13Å; E293-Q495 PolarHBondContact OE1-OE1 3.33Å; Q495-Q497 VanDerWaalsContact C-N 3.27Å; Q495-Q497 PolarHBondContact O-N 2.95Å; Q495-R498 PolarHBondContact O-N 3Å; Q495-E499 VanDerWaalsContact CG-OE1 3.3Å; Q495-E499 WeakPolarHBondContact CG-OE1 3.5Å; Q495-E499 PolarHBondContact NE2-OE1 2.89Å; Q495-E499 WeakPolarHBondContact O-CG 3.36Å; Q495-E499 PolarHBondContact O-N 3.23Å
496	K	84.6	Confident	87.9	Confident	171 Å²	171	53.3 Å²	53.3	74%	0.743	28%	0.277	S	S	*	.	H	α-helix	trans	-58.2	-36.3	177	-176	-177.9	178	-174.5	0	112.9	P494 T500	P494-K496 VanDerWaalsContact C-N 3.33Å; P494-K496 PolarHBondContact O-N 3.34Å; K496-T500 WeakPolarHBondContact O-CB 3.5Å; K496-T500 PolarHBondContact O-N 3.08Å; K496-T500 VanDerWaalsContact O-N 3.15Å; K496-T500 PolarHBondContact O-OG1 3.13Å
497	Q	88.9	Confident	87.6	Confident	98 Å²	98	57.7 Å²	57.7	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-75.5	-43.1	176.9	-176.5	178.1	3.6	0	0	110.5	I493 P494 Q495 E499 T500 T501	I493-Q497 HydrophobicContact CG2-CB 3.73Å; I493-Q497 HydrophobicContact CG2-CG 3.64Å; P494-Q497 WeakPolarHBondContact O-CA 3.48Å; P494-Q497 WeakPolarHBondContact O-CB 3.48Å; P494-Q497 PolarHBondContact O-N 2.88Å; Q495-Q497 VanDerWaalsContact C-N 3.27Å; Q495-Q497 PolarHBondContact O-N 2.95Å; Q497-E499 VanDerWaalsContact C-N 3.3Å; Q497-E499 PolarHBondContact O-N 3.47Å; Q497-T500 CarbonylContact O-C 3.59Å; Q497-T500 WeakPolarHBondContact O-CA 3.44Å; Q497-T500 WeakPolarHBondContact O-CB 3.35Å; Q497-T500 PolarHBondContact O-N 2.99Å; Q497-T501 PolarHBondContact O-N 2.93Å; Q497-T501 PolarHBondContact O-OG1 3.15Å; Q497-T501 VanDerWaalsContact O-OG1 3.09Å
498	R	85.6	Confident	87.3	Confident	15 Å²	15	55.7 Å²	55.7	6%	0.057	30%	0.303	C	S	.	.	H	α-helix	trans	-55	-44.2	173.9	-70	178.4	60.7	-120.4	-3.4	112.4	E293 L489 I493 P494 Q495 L502	E293-R498 IonicContact OE1-CZ 3.22Å; E293-R498 IonicContact OE1-NH1 3.15Å; E293-R498 PolarHBondContact OE1-NH1 2.96Å; E293-R498 IonicContact OE1-NH2 2.75Å; E293-R498 PolarHBondContact OE1-NH2 3.17Å; E293-R498 IonicContact OE2-CZ 2.76Å; E293-R498 IonicContact OE2-NH1 3.85Å; E293-R498 IonicContact OE2-NH2 2.66Å; E293-R498 PolarHBondContact OE2-NH2 3.33Å; L489-R498 HydrophobicContact CD1-CB 3.91Å; L489-R498 HydrophobicContact CD1-CG 3.88Å; I493-R498 HydrophobicContact CB-CG 3.69Å; I493-R498 HydrophobicContact CG2-CG 3.74Å; I493-R498 WeakPolarHBondContact O-CD 3.35Å; I493-R498 WeakPolarHBondContact O-CG 3.45Å; P494-R498 PolarHBondContact O-N 3.28Å; Q495-R498 PolarHBondContact O-N 3Å; R498-L502 WeakPolarHBondContact O-CB 3.38Å; R498-L502 WeakPolarHBondContact O-CG 3.45Å; R498-L502 PolarHBondContact O-N 3.22Å
499	E	82.9	Confident	87	Confident	74 Å²	74	59.8 Å²	59.8	35%	0.346	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-37.7	175.5	-72.8	164.9	-166.9	0	0	112.2	Q495 Q497 K503	Q495-E499 VanDerWaalsContact CG-OE1 3.3Å; Q495-E499 WeakPolarHBondContact CG-OE1 3.5Å; Q495-E499 PolarHBondContact NE2-OE1 2.89Å; Q495-E499 WeakPolarHBondContact O-CG 3.36Å; Q495-E499 PolarHBondContact O-N 3.23Å; Q497-E499 VanDerWaalsContact C-N 3.3Å; Q497-E499 PolarHBondContact O-N 3.47Å; E499-K503 WeakPolarHBondContact O-CB 3.31Å; E499-K503 PolarHBondContact O-N 3.1Å
500	T	89.1	Confident	87	Confident	91 Å²	91	60.5 Å²	60.5	56%	0.558	33%	0.33	S	S	*	.	H	α-helix	trans	-68.8	-45.6	176.4	-57.2	0	0	0	0	111.7	K496 Q497 K503 G504	K496-T500 WeakPolarHBondContact O-CB 3.5Å; K496-T500 PolarHBondContact O-N 3.08Å; K496-T500 VanDerWaalsContact O-N 3.15Å; K496-T500 PolarHBondContact O-OG1 3.13Å; Q497-T500 CarbonylContact O-C 3.59Å; Q497-T500 WeakPolarHBondContact O-CA 3.44Å; Q497-T500 WeakPolarHBondContact O-CB 3.35Å; Q497-T500 PolarHBondContact O-N 2.99Å; T500-K503 PolarHBondContact O-N 3.06Å; T500-G504 PolarHBondContact O-N 2.8Å
501	T	89.9	Confident	86.9	Confident	9 Å²	9	62.4 Å²	62.4	6%	0.055	34%	0.339	C	S	.	.	H	α-helix	trans	-59.4	-47.2	175.3	-58.3	0	0	0	0	111.1	Q487 L489 Q497 K503 G504 F505 F510 L513	Q487-T501 HydrophobicContact CB-CG2 3.78Å; Q487-T501 HydrophobicContact CG-CG2 4.44Å; L489-T501 HydrophobicContact CD1-CG2 4.1Å; Q497-T501 PolarHBondContact O-N 2.93Å; Q497-T501 PolarHBondContact O-OG1 3.15Å; Q497-T501 VanDerWaalsContact O-OG1 3.09Å; T501-K503 VanDerWaalsContact C-N 3.32Å; T501-K503 PolarHBondContact O-N 2.89Å; T501-G504 PolarHBondContact O-N 3.24Å; T501-F505 PolarHBondContact O-N 2.96Å; T501-F510 HydrophobicContact CG2-CE1 4.19Å; T501-F510 HydrophobicContact CG2-CZ 3.63Å; T501-F510 WeakPolarHBondContact O-CE1 3.29Å; T501-F510 VanDerWaalsContact O-CZ 3.29Å; T501-F510 WeakPolarHBondContact O-CZ 3.22Å; T501-L513 HydrophobicContact CG2-CD1 3.95Å
502	L	86.5	Confident	87.3	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-34.4	175.9	-73.5	168.3	0	0	0	112.9	E293 L489 R498 R506 L513 L523	E293-L502 HydrophobicContact CG-CD1 4.39Å; L489-L502 HydrophobicContact CD1-CG 4.38Å; L489-L502 HydrophobicContact CD2-CD1 4.2Å; L489-L502 HydrophobicContact CD2-CD2 3.82Å; L489-L502 HydrophobicContact CD2-CG 4.01Å; R498-L502 WeakPolarHBondContact O-CB 3.38Å; R498-L502 WeakPolarHBondContact O-CG 3.45Å; R498-L502 PolarHBondContact O-N 3.22Å; L502-R506 WeakPolarHBondContact O-CD 3.35Å; L502-R506 VanDerWaalsContact O-CG 3.23Å; L502-R506 WeakPolarHBondContact O-CG 3.41Å; L502-R506 PolarHBondContact O-N 3.1Å; L502-R506 VanDerWaalsContact O-N 3.12Å; L502-L513 HydrophobicContact CD2-CD2 4.14Å; L502-L523 HydrophobicContact CD1-CD1 3.99Å; L502-L523 HydrophobicContact CD2-CD1 3.83Å
503	K	86.8	Confident	87.7	Confident	137 Å²	137	55.3 Å²	55.3	60%	0.596	29%	0.29	S	S	*	.	H	α-helix	trans	-67.6	-40.7	172.5	-170.9	-178.4	177	-172.7	0	112	E499 T500 T501 R506 N507	E499-K503 WeakPolarHBondContact O-CB 3.31Å; E499-K503 PolarHBondContact O-N 3.1Å; T500-K503 PolarHBondContact O-N 3.06Å; T501-K503 VanDerWaalsContact C-N 3.32Å; T501-K503 PolarHBondContact O-N 2.89Å; K503-R506 PolarHBondContact O-N 2.86Å; K503-N507 WeakPolarHBondContact O-CB 3.31Å; K503-N507 PolarHBondContact O-N 3.44Å; K503-N507 PolarHBondContact O-OD1 3.21Å
504	G	90.1	Very high	88	Confident	11 Å²	11	54.5 Å²	54.5	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-58	-49.1	173.9	0	0	0	0	0	112.1	T500 T501 R506 N507 G508 V509	T500-G504 PolarHBondContact O-N 2.8Å; T501-G504 PolarHBondContact O-N 3.24Å; G504-R506 PolarHBondContact O-N 3.41Å; G504-N507 CarbonylContact O-C 3.46Å; G504-N507 PolarHBondContact O-N 2.88Å; G504-N507 VanDerWaalsContact O-N 3.15Å; G504-G508 PolarHBondContact O-N 2.67Å; G504-V509 WeakPolarHBondContact O-CB 3.3Å; G504-V509 PolarHBondContact O-N 3.2Å
505	F	90.1	Very high	88.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-43.2	179.3	-167.2	-113.7	0	0	0	113.4	R462 T463 I464 T501 N507 G508 F510 E511 L513 I525 P526 V528	R462-F505 HydrophobicContact CB-CE1 4.5Å; R462-F505 HydrophobicContact CB-CE2 4.35Å; R462-F505 HydrophobicContact CB-CZ 3.89Å; R462-F505 HydrophobicContact CG-CZ 4.41Å; R462-F505 PolarHBondContact NE-O 3.5Å; R462-F505 VanDerWaalsContact NE-O 3.08Å; T463-F505 WeakPolarHBondContact O-CZ 3.47Å; I464-F505 HydrophobicContact CG1-CE1 4.33Å; I464-F505 HydrophobicContact CG1-CZ 4.21Å; T501-F505 PolarHBondContact O-N 2.96Å; F505-N507 VanDerWaalsContact C-N 3.31Å; F505-N507 PolarHBondContact O-N 3.25Å; F505-G508 PolarHBondContact O-N 3.47Å; F505-F510 HydrophobicContact CB-CE1 4.23Å; F505-F510 HydrophobicContact CB-CE2 3.93Å; F505-F510 HydrophobicContact CB-CZ 3.63Å; F505-F510 AromaticContact CD2-CD2 3.9Å; F505-F510 HydrophobicContact CD2-CD2 3.9Å; F505-F510 AromaticContact CD2-CE2 3.51Å; F505-F510 HydrophobicContact CD2-CE2 3.51Å; F505-F510 HydrophobicContact CD2-CZ 4.13Å; F505-F510 HydrophobicContact CE2-CE2 4.42Å; F505-F510 HydrophobicContact CG-CE2 4.12Å; F505-F510 HydrophobicContact CG-CZ 4.32Å; F505-E511 WeakPolarHBondContact CE2-O 3.26Å; F505-L513 HydrophobicContact CD1-CB 4.4Å; F505-L513 HydrophobicContact CD1-CD2 4.15Å; F505-L513 HydrophobicContact CD2-CB 3.84Å; F505-L513 HydrophobicContact CE1-CB 4.23Å; F505-L513 HydrophobicContact CE1-CD2 4.31Å; F505-L513 HydrophobicContact CE2-CB 3.62Å; F505-L513 HydrophobicContact CG-CB 4.22Å; F505-L513 HydrophobicContact CG-CD2 4.44Å; F505-L513 HydrophobicContact CZ-CB 3.83Å; F505-I525 HydrophobicContact CD1-CG2 3.71Å; F505-I525 HydrophobicContact CE1-CG2 3.43Å; F505-I525 VanDerWaalsContact CE1-CG2 3.43Å; F505-P526 HydrophobicContact CD1-CG 3.64Å; F505-P526 HydrophobicContact CE1-CG 3.81Å; F505-V528 HydrophobicContact CE1-CG1 3.62Å; F505-V528 HydrophobicContact CZ-CG1 3.8Å
506	R	85.8	Confident	88.8	Confident	91 Å²	91	50.1 Å²	50.1	34%	0.343	26%	0.26	S	S	.	.	H	α-helix	trans	-54.6	-49	171.3	-72.2	163.3	-167	-133.1	4.7	111.3	R462 L502 K503 G504 G508 D524 P526	R462-R506 PolarHBondContact NH2-O 3.44Å; L502-R506 WeakPolarHBondContact O-CD 3.35Å; L502-R506 VanDerWaalsContact O-CG 3.23Å; L502-R506 WeakPolarHBondContact O-CG 3.41Å; L502-R506 PolarHBondContact O-N 3.1Å; L502-R506 VanDerWaalsContact O-N 3.12Å; K503-R506 PolarHBondContact O-N 2.86Å; G504-R506 PolarHBondContact O-N 3.41Å; R506-G508 PolarHBondContact O-N 3.43Å; R506-D524 IonicContact CZ-OD2 2.8Å; R506-D524 PolarHBondContact NE-O 3.31Å; R506-D524 IonicContact NH1-OD1 2.7Å; R506-D524 IonicContact NH1-OD2 3.69Å; R506-D524 PolarHBondContact NH1-OD2 3.2Å; R506-D524 VanDerWaalsContact NH2-CB 3.27Å; R506-D524 PolarHBondContact NH2-O 3.24Å; R506-D524 IonicContact NH2-OD1 3.96Å; R506-D524 IonicContact NH2-OD2 2.6Å; R506-D524 PolarHBondContact NH2-OD2 2.77Å; R506-P526 HydrophobicContact CG-CG 4.46Å
507	N	86.9	Confident	88.6	Confident	112 Å²	112	45.1 Å²	45.1	60%	0.599	24%	0.241	S	C	*	.	H	α-helix	trans	-76.8	-5.1	-174.4	-73	25.7	0	0	0	113.8	K503 G504 F505 V509	K503-N507 WeakPolarHBondContact O-CB 3.31Å; K503-N507 PolarHBondContact O-N 3.44Å; K503-N507 PolarHBondContact O-OD1 3.21Å; G504-N507 CarbonylContact O-C 3.46Å; G504-N507 PolarHBondContact O-N 2.88Å; G504-N507 VanDerWaalsContact O-N 3.15Å; F505-N507 VanDerWaalsContact C-N 3.31Å; F505-N507 PolarHBondContact O-N 3.25Å; N507-V509 VanDerWaalsContact C-N 3.33Å; N507-V509 HydrophobicContact CB-CG2 4.02Å
508	G	86.4	Confident	87.9	Confident	49 Å²	49	42.5 Å²	42.5	51%	0.505	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	23.4	-175.5	0	0	0	0	0	113.7	G504 F505 R506 F510	G504-G508 PolarHBondContact O-N 2.67Å; F505-G508 PolarHBondContact O-N 3.47Å; R506-G508 PolarHBondContact O-N 3.43Å; G508-F510 PolarHBondContact O-N 3.1Å
509	V	89.4	Confident	87.3	Confident	107 Å²	107	41.8 Å²	41.8	65%	0.648	23%	0.229	S	C	*	.	S	Bend	trans	-69.6	-23	173.3	-178.6	0	0	0	0	111.1	G504 N507	G504-V509 WeakPolarHBondContact O-CB 3.3Å; G504-V509 PolarHBondContact O-N 3.2Å; N507-V509 VanDerWaalsContact C-N 3.33Å; N507-V509 HydrophobicContact CB-CG2 4.02Å
510	F	89.7	Confident	86.3	Confident	14 Å²	14	38.3 Å²	38.3	6%	0.061	21%	0.213	C	C	.	.			trans	-152.1	153.1	167	63.3	-88.7	0	0	0	111.4	S485 Q487 T501 F505 G508 V512 L513	S485-F510 WeakPolarHBondContact OG-CA 3.25Å; S485-F510 WeakPolarHBondContact OG-CB 3.41Å; Q487-F510 HydrophobicContact CB-CD1 4.49Å; Q487-F510 HydrophobicContact CB-CD2 4.09Å; Q487-F510 HydrophobicContact CB-CE1 4.09Å; Q487-F510 HydrophobicContact CB-CE2 3.65Å; Q487-F510 HydrophobicContact CB-CG 4.49Å; Q487-F510 HydrophobicContact CB-CZ 3.65Å; Q487-F510 HydrophobicContact CG-CD1 3.77Å; Q487-F510 HydrophobicContact CG-CD2 4.06Å; Q487-F510 HydrophobicContact CG-CE1 3.69Å; Q487-F510 HydrophobicContact CG-CE2 3.98Å; Q487-F510 HydrophobicContact CG-CG 3.96Å; Q487-F510 HydrophobicContact CG-CZ 3.8Å; T501-F510 HydrophobicContact CG2-CE1 4.19Å; T501-F510 HydrophobicContact CG2-CZ 3.63Å; T501-F510 WeakPolarHBondContact O-CE1 3.29Å; T501-F510 VanDerWaalsContact O-CZ 3.29Å; T501-F510 WeakPolarHBondContact O-CZ 3.22Å; F505-F510 HydrophobicContact CB-CE1 4.23Å; F505-F510 HydrophobicContact CB-CE2 3.93Å; F505-F510 HydrophobicContact CB-CZ 3.63Å; F505-F510 AromaticContact CD2-CD2 3.9Å; F505-F510 HydrophobicContact CD2-CD2 3.9Å; F505-F510 AromaticContact CD2-CE2 3.51Å; F505-F510 HydrophobicContact CD2-CE2 3.51Å; F505-F510 HydrophobicContact CD2-CZ 4.13Å; F505-F510 HydrophobicContact CE2-CE2 4.42Å; F505-F510 HydrophobicContact CG-CE2 4.12Å; F505-F510 HydrophobicContact CG-CZ 4.32Å; G508-F510 PolarHBondContact O-N 3.1Å; F510-V512 WeakPolarHBondContact CD2-O 3.33Å; F510-L513 HydrophobicContact CE2-CB 4.38Å; F510-L513 HydrophobicContact CE2-CD1 4Å; F510-L513 HydrophobicContact CZ-CD1 4.11Å
511	E	89	Confident	85.3	Confident	53 Å²	53	34.5 Å²	34.5	25%	0.248	19%	0.188	C	C	.	.	S	Bend	trans	-89.6	-26.9	-170.7	-61.9	126.9	-107.1	0	0	114.2	R462 T463 Q484 S485 F505	R462-E511 WeakPolarHBondContact CA-O 3.41Å; T463-E511 PolarHBondContact N-O 3.19Å; Q484-E511 WeakPolarHBondContact CB-OE2 3.16Å; S485-E511 WeakPolarHBondContact CB-OE1 3.2Å; S485-E511 PolarHBondContact O-N 2.89Å; S485-E511 VanDerWaalsContact O-N 3.17Å; S485-E511 PolarHBondContact OG-N 3.17Å; S485-E511 PolarHBondContact OG-OE1 2.73Å; F505-E511 WeakPolarHBondContact CE2-O 3.26Å
512	V	92.5	Very high	83.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.2	-168.4	-175.8	0	0	0	0	112.5	I453 T463 V465 Q484 S485 S486 Q487 F510 V514	I453-V512 HydrophobicContact CD1-CG1 4.05Å; I453-V512 HydrophobicContact CD1-CG2 3.99Å; I453-V512 HydrophobicContact CG2-CG2 4.21Å; T463-V512 WeakPolarHBondContact O-CA 3.45Å; V465-V512 HydrophobicContact CG2-CG1 3.93Å; Q484-V512 HydrophobicContact CB-CG2 3.7Å; S485-V512 PolarHBondContact O-N 2.63Å; S486-V512 VanDerWaalsContact CA-O 3.26Å; S486-V512 WeakPolarHBondContact CA-O 3.38Å; Q487-V512 PolarHBondContact N-O 2.83Å; Q487-V512 VanDerWaalsContact N-O 3.08Å; F510-V512 WeakPolarHBondContact CD2-O 3.33Å; V512-V514 HydrophobicContact CG1-CG2 4.16Å
513	L	93.6	Very high	82.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	107.7	175.6	-173.1	69	0	0	0	110.8	T463 I464 V465 L489 T501 L502 F505 F510 I525	T463-L513 PolarHBondContact O-N 3.05Å; I464-L513 CarbonylContact C-O 3.58Å; I464-L513 WeakPolarHBondContact CA-O 3.38Å; I464-L513 WeakPolarHBondContact CG2-O 3.11Å; V465-L513 PolarHBondContact N-O 3.11Å; L489-L513 HydrophobicContact CB-CD1 4.02Å; L489-L513 HydrophobicContact CD2-CD2 4.5Å; T501-L513 HydrophobicContact CG2-CD1 3.95Å; L502-L513 HydrophobicContact CD2-CD2 4.14Å; F505-L513 HydrophobicContact CD1-CB 4.4Å; F505-L513 HydrophobicContact CD1-CD2 4.15Å; F505-L513 HydrophobicContact CD2-CB 3.84Å; F505-L513 HydrophobicContact CE1-CB 4.23Å; F505-L513 HydrophobicContact CE1-CD2 4.31Å; F505-L513 HydrophobicContact CE2-CB 3.62Å; F505-L513 HydrophobicContact CG-CB 4.22Å; F505-L513 HydrophobicContact CG-CD2 4.44Å; F505-L513 HydrophobicContact CZ-CB 3.83Å; F510-L513 HydrophobicContact CE2-CB 4.38Å; F510-L513 HydrophobicContact CE2-CD1 4Å; F510-L513 HydrophobicContact CZ-CD1 4.11Å; L513-I525 HydrophobicContact CD2-CD1 4.4Å
514	V	94.7	Very high	81.4	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.5	178.3	-170.8	0	0	0	0	109.8	V465 A473 L476 A477 Q487 S488 L489 V512	V465-V514 HydrophobicContact CB-CG1 4.36Å; V465-V514 HydrophobicContact CB-CG2 4.33Å; V465-V514 CarbonylContact O-C 3.58Å; V465-V514 WeakPolarHBondContact O-CA 3.46Å; A473-V514 HydrophobicContact CB-CG1 4.2Å; A473-V514 WeakPolarHBondContact O-CG1 3.49Å; L476-V514 HydrophobicContact CB-CG1 4.16Å; L476-V514 HydrophobicContact CD2-CG1 4.09Å; L476-V514 HydrophobicContact CG-CG1 4.26Å; A477-V514 HydrophobicContact CB-CB 4.1Å; A477-V514 HydrophobicContact CB-CG2 4Å; Q487-V514 PolarHBondContact O-N 3.31Å; S488-V514 CarbonylContact C-O 3.19Å; S488-V514 WeakPolarHBondContact CA-O 3.48Å; L489-V514 PolarHBondContact N-O 3.05Å; V512-V514 HydrophobicContact CG1-CG2 4.16Å
515	A	92.8	Very high	80.4	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	157	-167.3	0	0	0	0	0	114.1	V465 F466 C467 L489 A519	V465-A515 PolarHBondContact O-N 3.17Å; F466-A515 CarbonylContact C-O 3.51Å; F466-A515 WeakPolarHBondContact CA-O 3.49Å; C467-A515 PolarHBondContact N-O 3.25Å; L489-A515 HydrophobicContact CB-CB 4.07Å; L489-A515 WeakPolarHBondContact O-CA 3.23Å; A515-A519 HydrophobicContact CB-CB 3.39Å
516	T	90.6	Very high	79.3	Confident	13 Å²	13	30.4 Å²	30.4	8%	0.08	17%	0.172	C	C	.	.			trans	-87.7	-174.6	163.7	66.8	0	0	0	0	110.6	K470 A473 L489 H490 V518 A519	K470-T516 HydrophobicContact CG-CG2 4.46Å; A473-T516 HydrophobicContact CB-CG2 4.25Å; L489-T516 PolarHBondContact O-N 2.93Å; H490-T516 HydrophobicContact CB-CG2 4.05Å; T516-V518 PolarHBondContact O-N 3.41Å; T516-V518 WeakPolarHBondContact OG1-CG2 3.42Å; T516-A519 PolarHBondContact O-N 3.07Å
517	N	80.1	Confident	78.7	Confident	66 Å²	66	28.2 Å²	28.2	35%	0.353	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-54.3	-14.1	175.1	-75.7	-3.3	0	0	0	114.4	A519 A520 R546	N517-A519 PolarHBondContact O-N 2.55Å; N517-A519 VanDerWaalsContact O-N 3.13Å; N517-A520 HydrophobicContact CB-CB 4.45Å; N517-A520 WeakPolarHBondContact O-CB 3.34Å; N517-A520 PolarHBondContact O-N 3.22Å; N517-R546 PolarHBondContact OD1-NE 2.8Å; N517-R546 PolarHBondContact OD1-NH2 3.08Å
518	V	74.3	Confident	78.7	Confident	43 Å²	43	23 Å²	23	26%	0.261	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-52.4	-24.7	166.8	173.7	0	0	0	0	113.2	T516	T516-V518 PolarHBondContact O-N 3.41Å; T516-V518 WeakPolarHBondContact OG1-CG2 3.42Å
519	A	71.4	Confident	78.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-101.8	-8.8	173.3	0	0	0	0	0	115.5	F466 L489 A515 T516 N517 L523 I525	F466-A519 HydrophobicContact CE1-CB 3.88Å; F466-A519 HydrophobicContact CZ-CB 4.35Å; L489-A519 HydrophobicContact CD2-CB 4.24Å; A515-A519 HydrophobicContact CB-CB 3.39Å; T516-A519 PolarHBondContact O-N 3.07Å; N517-A519 PolarHBondContact O-N 2.55Å; N517-A519 VanDerWaalsContact O-N 3.13Å; A519-L523 VanDerWaalsContact CA-CD1 3.49Å; A519-L523 HydrophobicContact CB-CD1 3.73Å; A519-L523 HydrophobicContact CB-CG 4.5Å; A519-I525 HydrophobicContact CB-CD1 4.27Å
520	A	62	Low	78.9	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.008	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-33.1	-171	0	0	0	0	0	112.9	F466 N517 H545 R546 R549	F466-A520 HydrophobicContact CD1-CB 4.45Å; F466-A520 HydrophobicContact CE1-CB 3.81Å; F466-A520 HydrophobicContact CZ-CB 4.19Å; N517-A520 HydrophobicContact CB-CB 4.45Å; N517-A520 WeakPolarHBondContact O-CB 3.34Å; N517-A520 PolarHBondContact O-N 3.22Å; A520-H545 CarbonylContact O-C 3.55Å; A520-R546 HydrophobicContact CB-CG 3.6Å; A520-R549 PolarHBondContact O-NE 3.4Å; A520-R549 PolarHBondContact O-NH2 2.85Å
521	R	69.3	Low	79.2	Confident	11 Å²	11	18.7 Å²	18.7	4%	0.042	10%	0.1	C	C	.	.	S	Bend	trans	-122.6	147.9	-174.7	-60.6	-169.3	-171.2	-144.7	31	110.7	D364 Q365 D368 L523 H545	D364-R521 IonicContact OD1-NH1 3.1Å; D364-R521 IonicContact OD2-CZ 3.68Å; D364-R521 IonicContact OD2-NH1 2.86Å; D364-R521 PolarHBondContact OD2-NH1 2.86Å; Q365-R521 VanDerWaalsContact OE1-CD 3.25Å; D368-R521 IonicContact OD2-NH2 3.64Å; R521-L523 PolarHBondContact O-N 2.88Å; R521-H545 HydrophobicContact CG-CB 3.63Å; R521-H545 PolarHBondContact NH1-CD2 3.43Å; R521-H545 PolarHBondContact NH1-NE2 3.38Å
522	G	55.4	Low	79.5	Confident	3 Å²	3	16.1 Å²	16.1	3%	0.031	9%	0.088	C	C	.	.	S	Bend	trans	63.1	-12.2	171.9	0	0	0	0	0	120.6	L294 E362 D524	L294-G522 WeakPolarHBondContact CA-O 3.32Å; L294-G522 WeakPolarHBondContact CB-O 3.24Å; L294-G522 WeakPolarHBondContact CD1-O 3.36Å; L294-G522 PolarHBondContact N-O 3.48Å; E362-G522 WeakPolarHBondContact OE2-CA 3.42Å; E362-G522 PolarHBondContact OE2-N 2.9Å; G522-D524 PolarHBondContact O-N 3.02Å
523	L	66	Low	79.6	Confident	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.088	C	C	.	.			trans	-73.1	132.3	-178.8	-64.3	-153.8	0	0	0	112.6	E293 L489 L502 A519 R521 I525 R549	E293-L523 HydrophobicContact CB-CD2 3.27Å; E293-L523 HydrophobicContact CG-CD2 3.64Å; L489-L523 HydrophobicContact CD2-CD1 3.78Å; L502-L523 HydrophobicContact CD1-CD1 3.99Å; L502-L523 HydrophobicContact CD2-CD1 3.83Å; A519-L523 VanDerWaalsContact CA-CD1 3.49Å; A519-L523 HydrophobicContact CB-CD1 3.73Å; A519-L523 HydrophobicContact CB-CG 4.5Å; R521-L523 PolarHBondContact O-N 2.88Å; L523-I525 HydrophobicContact CB-CD1 3.83Å; L523-I525 HydrophobicContact CB-CG1 3.42Å; L523-I525 VanDerWaalsContact CB-CG1 3.42Å; L523-I525 HydrophobicContact CD1-CD1 4.06Å; L523-I525 HydrophobicContact CD1-CG1 4.19Å; L523-I525 HydrophobicContact CG-CD1 4.45Å; L523-I525 HydrophobicContact CG-CG1 4.42Å; L523-I525 PolarHBondContact O-N 3.1Å; L523-R549 PolarHBondContact O-NH1 3.45Å
524	D	60	Low	79.7	Confident	43 Å²	43	16.1 Å²	16.1	23%	0.23	9%	0.088	C	C	.	.			trans	-72.1	81.6	158.7	177.1	21	0	0	0	108.5	Q297 R506 G522	Q297-D524 HydrophobicContact CB-CB 3.92Å; Q297-D524 HydrophobicContact CG-CB 3.76Å; R506-D524 IonicContact CZ-OD2 2.8Å; R506-D524 PolarHBondContact NE-O 3.31Å; R506-D524 IonicContact NH1-OD1 2.7Å; R506-D524 IonicContact NH1-OD2 3.69Å; R506-D524 PolarHBondContact NH1-OD2 3.2Å; R506-D524 VanDerWaalsContact NH2-CB 3.27Å; R506-D524 PolarHBondContact NH2-O 3.24Å; R506-D524 IonicContact NH2-OD1 3.96Å; R506-D524 IonicContact NH2-OD2 2.6Å; R506-D524 PolarHBondContact NH2-OD2 2.77Å; G522-D524 PolarHBondContact O-N 3.02Å
525	I	69.1	Low	79.6	Confident	6 Å²	6	16.3 Å²	16.3	3%	0.031	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-96.3	142.3	169.5	-49	-171.8	0	0	0	105.7	I464 F505 L513 A519 L523 V528	I464-I525 HydrophobicContact CD1-CD1 3.73Å; I464-I525 HydrophobicContact CD1-CG2 3.95Å; F505-I525 HydrophobicContact CD1-CG2 3.71Å; F505-I525 HydrophobicContact CE1-CG2 3.43Å; F505-I525 VanDerWaalsContact CE1-CG2 3.43Å; L513-I525 HydrophobicContact CD2-CD1 4.4Å; A519-I525 HydrophobicContact CB-CD1 4.27Å; L523-I525 HydrophobicContact CB-CD1 3.83Å; L523-I525 HydrophobicContact CB-CG1 3.42Å; L523-I525 VanDerWaalsContact CB-CG1 3.42Å; L523-I525 HydrophobicContact CD1-CD1 4.06Å; L523-I525 HydrophobicContact CD1-CG1 4.19Å; L523-I525 HydrophobicContact CG-CD1 4.45Å; L523-I525 HydrophobicContact CG-CG1 4.42Å; L523-I525 PolarHBondContact O-N 3.1Å; I525-V528 HydrophobicContact CG2-CG1 4.12Å
526	P	65.7	Low	79.7	Confident	25 Å²	25	16.3 Å²	16.3	16%	0.162	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-51.6	160.5	165.7	29.1	-39.9	0	0	0	109.8	F505 R506 V528	F505-P526 HydrophobicContact CD1-CG 3.64Å; F505-P526 HydrophobicContact CE1-CG 3.81Å; R506-P526 HydrophobicContact CG-CG 4.46Å; P526-V528 WeakPolarHBondContact O-CG1 3.46Å; P526-V528 PolarHBondContact O-N 3.21Å
527	E	73.1	Confident	79.7	Confident	46 Å²	46	15.9 Å²	15.9	22%	0.215	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-59.8	137.8	166.5	-170.5	159.9	-153.2	0	0	109.9	R552 R555	E527-R552 WeakPolarHBondContact OE1-CA 3.28Å; E527-R552 WeakPolarHBondContact OE1-CB 3.28Å; E527-R552 PolarHBondContact OE1-N 2.92Å; E527-R552 VanDerWaalsContact OE1-O 3.06Å; E527-R555 WeakPolarHBondContact OE2-CD 3.49Å; E527-R555 IonicContact OE2-CZ 2.74Å; E527-R555 IonicContact OE2-NE 3.35Å; E527-R555 IonicContact OE2-NH1 3.14Å; E527-R555 PolarHBondContact OE2-NH1 3.11Å
528	V	87.6	Confident	80	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.096	C	C	.	.			trans	-122.7	140.1	-176.7	-60.1	0	0	0	0	109.1	R462 I464 F505 I525 P526 V531 R549 T550	R462-V528 HydrophobicContact CB-CB 4.15Å; R462-V528 HydrophobicContact CB-CG1 3.84Å; R462-V528 WeakPolarHBondContact O-CB 3.41Å; I464-V528 HydrophobicContact CD1-CB 4.47Å; I464-V528 HydrophobicContact CD1-CG1 3.99Å; I464-V528 HydrophobicContact CD1-CG2 3.78Å; I464-V528 HydrophobicContact CG1-CB 4.33Å; I464-V528 HydrophobicContact CG1-CG1 3.86Å; I464-V528 HydrophobicContact CG1-CG2 4.01Å; F505-V528 HydrophobicContact CE1-CG1 3.62Å; F505-V528 HydrophobicContact CZ-CG1 3.8Å; I525-V528 HydrophobicContact CG2-CG1 4.12Å; P526-V528 WeakPolarHBondContact O-CG1 3.46Å; P526-V528 PolarHBondContact O-N 3.21Å; V528-V531 HydrophobicContact CG2-CG2 4Å; V528-R549 HydrophobicContact CG2-CB 4.11Å; V528-T550 WeakPolarHBondContact O-CA 3.32Å; V528-T550 WeakPolarHBondContact O-CB 3.49Å; V528-T550 PolarHBondContact O-OG1 3.11Å
529	D	88.7	Confident	80.5	Confident	80 Å²	80	20.3 Å²	20.3	43%	0.428	10%	0.103	S	C	.	.	S	Bend	trans	-78.9	-34.9	-174.5	-45.2	-84.1	0	0	0	110.2	G461 R462 T550 I558	G461-D529 WeakPolarHBondContact CA-OD2 3.35Å; R462-D529 PolarHBondContact N-OD2 2.62Å; R462-D529 PolarHBondContact O-N 2.88Å; D529-T550 PolarHBondContact O-OG1 3.22Å; D529-I558 PolarHBondContact O-N 3.48Å
530	L	92.4	Very high	81.3	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.2	-176.7	-179.4	62.5	0	0	0	112.4	V452 I453 R462 T463 I464 V532 I558 I560	V452-L530 HydrophobicContact CG1-CD2 4.2Å; I453-L530 HydrophobicContact CG1-CD2 4.19Å; R462-L530 PolarHBondContact O-N 2.7Å; T463-L530 WeakPolarHBondContact CA-O 3.3Å; T463-L530 HydrophobicContact CG2-CB 4.19Å; T463-L530 HydrophobicContact CG2-CD2 3.93Å; T463-L530 HydrophobicContact CG2-CG 3.96Å; I464-L530 PolarHBondContact N-O 3.2Å; I464-L530 VanDerWaalsContact N-O 3.09Å; L530-V532 HydrophobicContact CD1-CG2 4.35Å; L530-V532 HydrophobicContact CD2-CG2 4.02Å; L530-V532 HydrophobicContact CG-CG2 3.99Å; L530-I558 HydrophobicContact CD1-CB 4.2Å; L530-I558 HydrophobicContact CD1-CG2 4.11Å; L530-I560 HydrophobicContact CD1-CD1 3.73Å; L530-I560 HydrophobicContact CD1-CG1 3.81Å
531	V	94.4	Very high	82.3	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.6	164.5	173.2	0	0	0	0	108.9	F466 V528 Q533 R549 T550 I558 C559 I560	F466-V531 HydrophobicContact CD2-CG1 3.9Å; F466-V531 HydrophobicContact CE2-CG1 3.99Å; V528-V531 HydrophobicContact CG2-CG2 4Å; V531-Q533 HydrophobicContact CG1-CG 4.39Å; V531-R549 HydrophobicContact CG2-CB 3.87Å; V531-T550 HydrophobicContact CB-CG2 4.27Å; V531-T550 HydrophobicContact CG2-CG2 3.74Å; V531-I558 PolarHBondContact N-O 2.85Å; V531-C559 HydrophobicContact CB-CB 4.36Å; V531-C559 CarbonylContact O-C 3.52Å; V531-C559 VanDerWaalsContact O-CA 3.32Å; V531-C559 WeakPolarHBondContact O-CA 3.43Å; V531-I560 PolarHBondContact O-N 3.03Å
532	V	95.4	Very high	83.2	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	141.6	172.2	177.5	0	0	0	0	109.3	I449 V452 T463 I464 V465 F466 L530 I560 F562	I449-V532 HydrophobicContact CD1-CG1 4.13Å; I449-V532 HydrophobicContact CG1-CG1 4.08Å; V452-V532 HydrophobicContact CG1-CG2 4.42Å; T463-V532 HydrophobicContact CG2-CG2 4.1Å; I464-V532 PolarHBondContact O-N 2.99Å; V465-V532 HydrophobicContact CB-CB 4.43Å; V465-V532 HydrophobicContact CG1-CB 4.25Å; V465-V532 HydrophobicContact CG1-CG1 4.08Å; V465-V532 HydrophobicContact CG2-CB 4.19Å; F466-V532 PolarHBondContact N-O 3.45Å; L530-V532 HydrophobicContact CD1-CG2 4.35Å; L530-V532 HydrophobicContact CD2-CG2 4.02Å; L530-V532 HydrophobicContact CG-CG2 3.99Å; V532-I560 CarbonylContact C-O 3.6Å; V532-I560 WeakPolarHBondContact CA-O 3.13Å; V532-F562 HydrophobicContact CG1-CD2 3.7Å; V532-F562 HydrophobicContact CG1-CE2 3.57Å
533	Q	95.6	Very high	84.9	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.4	169.4	-51.9	-169.5	41.8	0	0	109.2	F466 V531 S535 R546 C559 I560 F562	F466-Q533 HydrophobicContact CB-CG 4.32Å; V531-Q533 HydrophobicContact CG1-CG 4.39Å; Q533-S535 VanDerWaalsContact C-N 3.27Å; Q533-S535 PolarHBondContact O-N 3.42Å; Q533-R546 VanDerWaalsContact CD-CD 3.45Å; Q533-C559 PolarHBondContact NE2-SG 3.32Å; Q533-I560 PolarHBondContact N-O 2.84Å; Q533-F562 WeakPolarHBondContact O-CB 3.39Å; Q533-F562 PolarHBondContact O-N 2.96Å
534	C	94.7	Very high	85.9	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-67.9	-25	-175.7	-70.1	0	0	0	0	113.8	R445 F466 F562	R445-C534 PolarHBondContact NE-O 3.22Å; R445-C534 PolarHBondContact NH1-O 3.09Å; R445-C534 PolarHBondContact NH2-O 3.23Å; F466-C534 WeakPolarHBondContact O-CB 3.49Å; F466-C534 PolarHBondContact O-N 3.45Å; C534-F562 WeakPolarHBondContact O-CB 3.46Å
535	S	93.4	Very high	87.1	Confident	4 Å²	4	20.3 Å²	20.3	3%	0.028	10%	0.102	C	C	.	.	S	Bend	trans	-144.5	158.3	175.4	53.8	0	0	0	0	109.8	E468 Q533 F562	E468-S535 PolarHBondContact OE1-OG 3.15Å; Q533-S535 VanDerWaalsContact C-N 3.27Å; Q533-S535 PolarHBondContact O-N 3.42Å; S535-F562 CarbonylContact C-O 3.38Å; S535-F562 WeakPolarHBondContact CA-O 3.34Å
536	P	94.5	Very high	88.1	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.			trans	-63	124.7	165.5	-17	33	0	0	0	108.6	F562 E567 Q570 L571	P536-F562 WeakPolarHBondContact CD-O 3.33Å; P536-E567 HydrophobicContact CG-CB 4.2Å; P536-Q570 HydrophobicContact CB-CB 4.11Å; P536-L571 HydrophobicContact CB-CD1 4.49Å; P536-L571 HydrophobicContact CG-CB 4.22Å; P536-L571 HydrophobicContact CG-CD1 4.13Å
537	P	89.9	Confident	89.2	Confident	4 Å²	4	18.9 Å²	18.9	3%	0.026	9%	0.093	C	C	.	.			trans	-67.7	144.4	176.9	28.7	-33.4	0	0	0	110.3	D539 Y543	P537-D539 PolarHBondContact O-N 2.67Å; P537-Y543 HydrophobicContact CG-CD2 4.18Å; P537-Y543 HydrophobicContact CG-CG 4.43Å
538	K	86.9	Confident	89.8	Confident	123 Å²	123	16.8 Å²	16.8	54%	0.535	8%	0.083	S	C	.	.	S	Bend	trans	-58.4	-35.2	175.5	-66.8	153.1	-177.2	150.9	0	111.7	E468	E468-K538 IonicContact OE2-NZ 3.2Å; E468-K538 PolarHBondContact OE2-NZ 3.41Å
539	D	85.6	Confident	89.8	Confident	78 Å²	78	17 Å²	17	42%	0.417	8%	0.084	S	C	.	.	S	Bend	trans	-107.8	132.5	-175.4	-28.9	-70.4	0	0	0	110	P537 S542 Y543	P537-D539 PolarHBondContact O-N 2.67Å; D539-S542 WeakPolarHBondContact O-CB 3.28Å; D539-S542 PolarHBondContact O-N 3.4Å; D539-Y543 PolarHBondContact O-N 3.32Å
540	V	87.3	Confident	89.7	Confident	2 Å²	2	13.3 Å²	13.3	1%	0.012	6%	0.064	C	C	.	.	H	α-helix	trans	-78.4	-33.1	-169	-177	0	0	0	0	110.3	S542 Y543 I544 Y573 K577 A578	V540-S542 VanDerWaalsContact C-N 3.28Å; V540-S542 PolarHBondContact O-N 3.31Å; V540-Y543 WeakPolarHBondContact O-CA 3.43Å; V540-Y543 VanDerWaalsContact O-CB 3.32Å; V540-Y543 WeakPolarHBondContact O-CB 3.04Å; V540-Y543 PolarHBondContact O-N 2.73Å; V540-I544 HydrophobicContact CG1-CD1 4.11Å; V540-I544 WeakPolarHBondContact O-CG1 3.33Å; V540-I544 PolarHBondContact O-N 3.08Å; V540-Y573 HydrophobicContact CG2-CD1 3.94Å; V540-Y573 HydrophobicContact CG2-CE1 3.49Å; V540-Y573 VanDerWaalsContact CG2-CE1 3.49Å; V540-K577 HydrophobicContact CB-CB 4.05Å; V540-K577 HydrophobicContact CG1-CB 3.66Å; V540-K577 HydrophobicContact CG2-CB 3.44Å; V540-K577 VanDerWaalsContact CG2-CB 3.44Å; V540-K577 HydrophobicContact CG2-CG 3.98Å; V540-A578 HydrophobicContact CG1-CB 3.77Å
541	E	83.3	Confident	89.1	Confident	52 Å²	52	13.5 Å²	13.5	24%	0.243	7%	0.066	C	C	.	.	H	α-helix	trans	-54.8	-46.5	169	-64.4	57.9	-139	0	0	109.3	T399 Y543 I544 H545	T399-E541 HydrophobicContact CG2-CG 4.07Å; E541-Y543 VanDerWaalsContact C-N 3.31Å; E541-Y543 PolarHBondContact O-N 3.07Å; E541-I544 PolarHBondContact O-N 2.91Å; E541-H545 PolarHBondContact O-CD2 2.85Å; E541-H545 VanDerWaalsContact O-CD2 3.22Å; E541-H545 PolarHBondContact O-N 2.92Å
542	S	87.4	Confident	88.2	Confident	4 Å²	4	16 Å²	16	3%	0.028	8%	0.076	C	C	.	.	H	α-helix	trans	-60.6	-37.5	174.5	-68.6	0	0	0	0	112.3	D539 V540 R546	D539-S542 WeakPolarHBondContact O-CB 3.28Å; D539-S542 PolarHBondContact O-N 3.4Å; V540-S542 VanDerWaalsContact C-N 3.28Å; V540-S542 PolarHBondContact O-N 3.31Å; S542-R546 WeakPolarHBondContact O-CB 3.18Å; S542-R546 WeakPolarHBondContact O-CD 3.22Å; S542-R546 WeakPolarHBondContact O-CG 3.35Å; S542-R546 PolarHBondContact O-N 3.06Å; S542-R546 VanDerWaalsContact O-N 3.11Å
543	Y	90.9	Very high	86.9	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.6	-52.9	172.1	-174.4	-89.2	0	0	0	111.9	H435 P537 D539 V540 E541 H545 R546 S547 C559 C561 V574 I580 F582	H435-Y543 AromaticContact CE1-CE1 3.81Å; H435-Y543 AromaticContact ND1-CE1 3.7Å; H435-Y543 AromaticContact ND1-CZ 3.72Å; H435-Y543 PolarHBondContact ND1-OH 3.22Å; P537-Y543 HydrophobicContact CG-CD2 4.18Å; P537-Y543 HydrophobicContact CG-CG 4.43Å; D539-Y543 PolarHBondContact O-N 3.32Å; V540-Y543 WeakPolarHBondContact O-CA 3.43Å; V540-Y543 VanDerWaalsContact O-CB 3.32Å; V540-Y543 WeakPolarHBondContact O-CB 3.04Å; V540-Y543 PolarHBondContact O-N 2.73Å; E541-Y543 VanDerWaalsContact C-N 3.31Å; E541-Y543 PolarHBondContact O-N 3.07Å; Y543-H545 VanDerWaalsContact C-N 3.3Å; Y543-H545 PolarHBondContact O-N 2.88Å; Y543-R546 PolarHBondContact O-N 3.29Å; Y543-S547 PolarHBondContact O-N 3.29Å; Y543-S547 PolarHBondContact O-OG 3.27Å; Y543-C559 PolarHBondContact OH-SG 3.48Å; Y543-C559 VanDerWaalsContact OH-SG 3.33Å; Y543-C561 HydrophobicContact CE2-CB 4.34Å; Y543-V574 HydrophobicContact CD1-CG1 3.92Å; Y543-V574 HydrophobicContact CD2-CG1 3.83Å; Y543-V574 HydrophobicContact CE2-CG1 4.45Å; Y543-V574 HydrophobicContact CG-CG1 3.55Å; Y543-I580 HydrophobicContact CD1-CD1 3.98Å; Y543-I580 HydrophobicContact CE1-CD1 3.39Å; Y543-F582 HydrophobicContact CD2-CZ 4.36Å; Y543-F582 HydrophobicContact CE1-CZ 4.49Å; Y543-F582 AromaticContact CE2-CE1 3.89Å; Y543-F582 HydrophobicContact CE2-CE1 3.89Å; Y543-F582 AromaticContact CE2-CZ 3.57Å; Y543-F582 HydrophobicContact CE2-CZ 3.57Å; Y543-F582 AromaticContact CZ-CE1 3.75Å; Y543-F582 AromaticContact CZ-CZ 3.67Å; Y543-F582 VanDerWaalsContact OH-CE1 3.27Å; Y543-F582 WeakPolarHBondContact OH-CE1 3.44Å
544	I	87.6	Confident	85.6	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-39.3	-176	-68.4	158.2	0	0	0	111.9	T399 K428 V540 E541 S547 G548 A578	T399-I544 HydrophobicContact CG2-CD1 4.27Å; K428-I544 HydrophobicContact CB-CD1 3.62Å; K428-I544 HydrophobicContact CB-CG1 4.25Å; K428-I544 HydrophobicContact CD-CD1 3.9Å; K428-I544 HydrophobicContact CG-CD1 4.46Å; V540-I544 HydrophobicContact CG1-CD1 4.11Å; V540-I544 WeakPolarHBondContact O-CG1 3.33Å; V540-I544 PolarHBondContact O-N 3.08Å; E541-I544 PolarHBondContact O-N 2.91Å; I544-S547 PolarHBondContact O-OG 2.86Å; I544-G548 PolarHBondContact O-N 3Å; I544-A578 HydrophobicContact CD1-CB 4.36Å; I544-A578 HydrophobicContact CG1-CB 4.25Å
545	H	84.6	Confident	84.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-76.6	-34.3	178.2	-78.9	-92	0	0	0	113.5	E362 D364 A520 R521 E541 Y543 R549	E362-H545 IonicContact OE1-CE1 2.7Å; E362-H545 PolarHBondContact OE1-CE1 2.81Å; E362-H545 IonicContact OE1-ND1 3.43Å; E362-H545 PolarHBondContact OE1-ND1 3.09Å; D364-H545 IonicContact OD2-NE2 3.34Å; A520-H545 CarbonylContact O-C 3.55Å; R521-H545 HydrophobicContact CG-CB 3.63Å; R521-H545 PolarHBondContact NH1-CD2 3.43Å; R521-H545 PolarHBondContact NH1-NE2 3.38Å; E541-H545 PolarHBondContact O-CD2 2.85Å; E541-H545 VanDerWaalsContact O-CD2 3.22Å; E541-H545 PolarHBondContact O-N 2.92Å; Y543-H545 VanDerWaalsContact C-N 3.3Å; Y543-H545 PolarHBondContact O-N 2.88Å; H545-R549 PolarHBondContact O-NE 2.82Å
546	R	89.9	Confident	84.3	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-51.7	171.9	-73.1	170	178.4	-169.5	-4.3	111.3	F466 N517 A520 Q533 S542 Y543 G548 R549	F466-R546 HydrophobicContact CB-CG 4.39Å; F466-R546 HydrophobicContact CD1-CG 3.94Å; F466-R546 HydrophobicContact CD2-CB 3.81Å; F466-R546 HydrophobicContact CD2-CG 3.71Å; F466-R546 HydrophobicContact CE1-CG 4.1Å; F466-R546 HydrophobicContact CE2-CB 3.82Å; F466-R546 HydrophobicContact CE2-CG 3.87Å; F466-R546 HydrophobicContact CG-CB 4.35Å; F466-R546 HydrophobicContact CG-CG 3.74Å; F466-R546 HydrophobicContact CZ-CB 4.37Å; F466-R546 HydrophobicContact CZ-CG 4.07Å; N517-R546 PolarHBondContact OD1-NE 2.8Å; N517-R546 PolarHBondContact OD1-NH2 3.08Å; A520-R546 HydrophobicContact CB-CG 3.6Å; Q533-R546 VanDerWaalsContact CD-CD 3.45Å; S542-R546 WeakPolarHBondContact O-CB 3.18Å; S542-R546 WeakPolarHBondContact O-CD 3.22Å; S542-R546 WeakPolarHBondContact O-CG 3.35Å; S542-R546 PolarHBondContact O-N 3.06Å; S542-R546 VanDerWaalsContact O-N 3.11Å; Y543-R546 PolarHBondContact O-N 3.29Å; R546-G548 VanDerWaalsContact C-N 3.29Å; R546-G548 PolarHBondContact O-N 3.31Å; R546-R549 WeakPolarHBondContact O-CB 3.29Å; R546-R549 VanDerWaalsContact O-CG 3.23Å; R546-R549 WeakPolarHBondContact O-CG 3.26Å; R546-R549 PolarHBondContact O-N 2.79Å; R546-R549 VanDerWaalsContact O-N 3.16Å
547	S	89.9	Confident	84	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-38.7	179.4	68.9	0	0	0	0	111.3	Y543 I544 R549 T550 C559	Y543-S547 PolarHBondContact O-N 3.29Å; Y543-S547 PolarHBondContact O-OG 3.27Å; I544-S547 PolarHBondContact O-OG 2.86Å; S547-R549 PolarHBondContact O-N 3.03Å; S547-T550 VanDerWaalsContact O-CG2 3.29Å; S547-T550 WeakPolarHBondContact O-CG2 3.23Å; S547-T550 PolarHBondContact O-N 2.88Å; S547-C559 WeakPolarHBondContact CB-SG 3.36Å
548	G	85.7	Confident	84.1	Confident	1 Å²	1	38 Å²	38	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	18.3	174	0	0	0	0	0	116.3	T254 I544 R546 R552	T254-G548 WeakPolarHBondContact OG1-CA 3.45Å; I544-G548 PolarHBondContact O-N 3Å; R546-G548 VanDerWaalsContact C-N 3.29Å; R546-G548 PolarHBondContact O-N 3.31Å; G548-R552 VanDerWaalsContact O-CZ 3.32Å; G548-R552 PolarHBondContact O-NE 3.23Å; G548-R552 PolarHBondContact O-NH2 2.98Å
549	R	86.8	Confident	84.4	Confident	7 Å²	7	32.2 Å²	32.2	3%	0.026	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-35	162.7	-62.2	-68	122	-168.9	6.8	111.6	I464 F466 A520 L523 V528 V531 H545 R546 S547 R552	I464-R549 HydrophobicContact CD1-CB 3.62Å; I464-R549 HydrophobicContact CD1-CG 3.82Å; F466-R549 HydrophobicContact CE2-CG 4.17Å; F466-R549 HydrophobicContact CZ-CG 4.08Å; A520-R549 PolarHBondContact O-NE 3.4Å; A520-R549 PolarHBondContact O-NH2 2.85Å; L523-R549 PolarHBondContact O-NH1 3.45Å; V528-R549 HydrophobicContact CG2-CB 4.11Å; V531-R549 HydrophobicContact CG2-CB 3.87Å; H545-R549 PolarHBondContact O-NE 2.82Å; R546-R549 WeakPolarHBondContact O-CB 3.29Å; R546-R549 VanDerWaalsContact O-CG 3.23Å; R546-R549 WeakPolarHBondContact O-CG 3.26Å; R546-R549 PolarHBondContact O-N 2.79Å; R546-R549 VanDerWaalsContact O-N 3.16Å; S547-R549 PolarHBondContact O-N 3.03Å; R549-R552 VanDerWaalsContact CZ-NH2 3.28Å; R549-R552 VanDerWaalsContact NH1-NH2 3.15Å; R549-R552 PolarHBondContact O-NE 3.36Å
550	T	87.6	Confident	84.9	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.006	17%	0.167	C	C	.	.	S	Bend	trans	-93	173.5	171.2	-171.9	0	0	0	0	111.3	V433 V528 D529 V531 S547 G557	V433-T550 HydrophobicContact CG1-CG2 4Å; V433-T550 HydrophobicContact CG2-CG2 4.01Å; V528-T550 WeakPolarHBondContact O-CA 3.32Å; V528-T550 WeakPolarHBondContact O-CB 3.49Å; V528-T550 PolarHBondContact O-OG1 3.11Å; D529-T550 PolarHBondContact O-OG1 3.22Å; V531-T550 HydrophobicContact CB-CG2 4.27Å; V531-T550 HydrophobicContact CG2-CG2 3.74Å; S547-T550 VanDerWaalsContact O-CG2 3.29Å; S547-T550 WeakPolarHBondContact O-CG2 3.23Å; S547-T550 PolarHBondContact O-N 2.88Å; T550-G557 WeakPolarHBondContact OG1-CA 3.12Å
551	G	78.9	Confident	85.4	Confident	5 Å²	5	28.4 Å²	28.4	5%	0.052	17%	0.167	C	C	.	.	S	Bend	trans	61.5	48.7	173.3	0	0	0	0	0	115	T432 R555	T432-G551 PolarHBondContact OG1-O 3.47Å; G551-R555 CarbonylContact C-O 3.55Å; G551-R555 WeakPolarHBondContact CA-O 3.36Å
552	R	76.4	Confident	86	Confident	51 Å²	51	25.9 Å²	25.9	19%	0.192	16%	0.155	C	C	.	.			trans	-100.9	162.5	-175.8	-63.5	-177.3	164.5	-164.7	-3.6	111.1	E527 G548 R549 G554 R555	E527-R552 WeakPolarHBondContact OE1-CA 3.28Å; E527-R552 WeakPolarHBondContact OE1-CB 3.28Å; E527-R552 PolarHBondContact OE1-N 2.92Å; E527-R552 VanDerWaalsContact OE1-O 3.06Å; G548-R552 VanDerWaalsContact O-CZ 3.32Å; G548-R552 PolarHBondContact O-NE 3.23Å; G548-R552 PolarHBondContact O-NH2 2.98Å; R549-R552 VanDerWaalsContact CZ-NH2 3.28Å; R549-R552 VanDerWaalsContact NH1-NH2 3.15Å; R549-R552 PolarHBondContact O-NE 3.36Å; R552-G554 PolarHBondContact O-N 2.76Å; R552-R555 PolarHBondContact O-N 3.48Å
553	A	67.9	Low	86.4	Confident	77 Å²	77	26.8 Å²	26.8	64%	0.636	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.8	34.7	176	0	0	0	0	0	115.2
554	G	68.5	Low	86.4	Confident	65 Å²	65	27.9 Å²	27.9	67%	0.67	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.4	-9	179.5	0	0	0	0	0	116.1	R552	R552-G554 PolarHBondContact O-N 2.76Å
555	R	75.3	Confident	86.4	Confident	162 Å²	162	37.2 Å²	37.2	61%	0.611	20%	0.198	S	C	*	.			trans	-72.4	150.3	174.6	-61.9	-172.9	-176.1	146.8	-2.9	111.4	T432 E527 G551 R552	T432-R555 WeakPolarHBondContact CB-O 3.3Å; E527-R555 WeakPolarHBondContact OE2-CD 3.49Å; E527-R555 IonicContact OE2-CZ 2.74Å; E527-R555 IonicContact OE2-NE 3.35Å; E527-R555 IonicContact OE2-NH1 3.14Å; E527-R555 PolarHBondContact OE2-NH1 3.11Å; G551-R555 CarbonylContact C-O 3.55Å; G551-R555 WeakPolarHBondContact CA-O 3.36Å; R552-R555 PolarHBondContact O-N 3.48Å
556	T	84.2	Confident	86.7	Confident	124 Å²	124	44.2 Å²	44.2	76%	0.761	23%	0.229	S	C	*	.			trans	-72.6	158.1	167.5	46.1	0	0	0	0	111.4	T432	T432-T556 CarbonylContact O-C 2.9Å; T432-T556 VanDerWaalsContact O-CA 3.27Å; T432-T556 WeakPolarHBondContact O-CA 3.28Å
557	G	88.3	Confident	86.8	Confident	5 Å²	5	45.1 Å²	45.1	5%	0.052	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	158.8	179.9	0	0	0	0	0	112.3	T432 V433 E434 T550	T432-G557 PolarHBondContact O-N 2.61Å; V433-G557 CarbonylContact C-O 3.57Å; V433-G557 VanDerWaalsContact CA-O 3.28Å; V433-G557 WeakPolarHBondContact CA-O 3.47Å; E434-G557 PolarHBondContact N-O 3.42Å; T550-G557 WeakPolarHBondContact OG1-CA 3.12Å
558	I	92.3	Very high	86.9	Confident	39 Å²	39	47 Å²	47	20%	0.2	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.4	-176.5	-54.2	-177.3	0	0	0	110.3	L436 Y456 D529 L530 V531 I560	L436-I558 HydrophobicContact CD1-CG2 3.89Å; L436-I558 HydrophobicContact CG-CG2 4.3Å; Y456-I558 HydrophobicContact CD1-CD1 3.75Å; Y456-I558 HydrophobicContact CD1-CG2 4.27Å; Y456-I558 HydrophobicContact CE1-CD1 4.47Å; D529-I558 PolarHBondContact O-N 3.48Å; L530-I558 HydrophobicContact CD1-CB 4.2Å; L530-I558 HydrophobicContact CD1-CG2 4.11Å; V531-I558 PolarHBondContact N-O 2.85Å; I558-I560 HydrophobicContact CG2-CD1 4.13Å; I558-I560 HydrophobicContact CG2-CG1 3.81Å
559	C	94.9	Very high	87.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	108.5	176.1	-177	0	0	0	0	111.3	V433 E434 L436 V531 Q533 Y543 S547	V433-C559 HydrophobicContact CG1-CB 3.54Å; E434-C559 PolarHBondContact O-N 3.33Å; L436-C559 PolarHBondContact N-O 3.36Å; V531-C559 HydrophobicContact CB-CB 4.36Å; V531-C559 CarbonylContact O-C 3.52Å; V531-C559 VanDerWaalsContact O-CA 3.32Å; V531-C559 WeakPolarHBondContact O-CA 3.43Å; Q533-C559 PolarHBondContact NE2-SG 3.32Å; Y543-C559 PolarHBondContact OH-SG 3.48Å; Y543-C559 VanDerWaalsContact OH-SG 3.33Å; S547-C559 WeakPolarHBondContact CB-SG 3.36Å
560	I	96.2	Very high	87.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.8	-176.1	-51.2	-169.7	0	0	0	110.1	L436 I438 V452 Y456 L530 V531 V532 Q533 I558 F562	L436-I560 HydrophobicContact CB-CG1 4.1Å; L436-I560 HydrophobicContact CB-CG2 4.45Å; L436-I560 HydrophobicContact CD1-CD1 4.06Å; L436-I560 HydrophobicContact CD1-CG1 4.1Å; L436-I560 HydrophobicContact CG-CG1 4.46Å; L436-I560 WeakPolarHBondContact O-CA 3.21Å; I438-I560 HydrophobicContact CD1-CG2 3.63Å; I438-I560 HydrophobicContact CG1-CG2 3.9Å; V452-I560 HydrophobicContact CG1-CD1 3.58Å; Y456-I560 HydrophobicContact CD1-CD1 4.35Å; Y456-I560 HydrophobicContact CD2-CD1 3.74Å; Y456-I560 HydrophobicContact CE2-CD1 3.91Å; Y456-I560 HydrophobicContact CG-CD1 3.96Å; L530-I560 HydrophobicContact CD1-CD1 3.73Å; L530-I560 HydrophobicContact CD1-CG1 3.81Å; V531-I560 PolarHBondContact O-N 3.03Å; V532-I560 CarbonylContact C-O 3.6Å; V532-I560 WeakPolarHBondContact CA-O 3.13Å; Q533-I560 PolarHBondContact N-O 2.84Å; I558-I560 HydrophobicContact CG2-CD1 4.13Å; I558-I560 HydrophobicContact CG2-CG1 3.81Å; I560-F562 HydrophobicContact CG2-CE2 4.46Å
561	C	96.4	Very high	87.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.2	176.6	-166.3	0	0	0	0	110.8	L436 A437 I438 Y543 L571 F582	L436-C561 PolarHBondContact O-N 3.35Å; A437-C561 VanDerWaalsContact CA-O 3.25Å; A437-C561 WeakPolarHBondContact CA-O 3.37Å; I438-C561 PolarHBondContact N-O 3.38Å; Y543-C561 HydrophobicContact CE2-CB 4.34Å; C561-L571 HydrophobicContact CB-CD1 4.16Å; C561-F582 HydrophobicContact CB-CE1 3.71Å; C561-F582 HydrophobicContact CB-CZ 3.99Å
562	F	96.3	Very high	88.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	142.4	168.5	-74.4	-78.3	0	0	0	110.6	I438 C440 V448 I449 V452 V532 Q533 C534 S535 P536 I560	I438-F562 HydrophobicContact CB-CD1 3.85Å; I438-F562 HydrophobicContact CB-CE1 3.75Å; I438-F562 HydrophobicContact CD1-CE1 4.09Å; I438-F562 HydrophobicContact CD1-CZ 4.14Å; I438-F562 HydrophobicContact CG1-CE1 4.48Å; I438-F562 HydrophobicContact CG2-CD1 4.01Å; I438-F562 HydrophobicContact CG2-CE1 3.68Å; I438-F562 WeakPolarHBondContact O-CA 3.43Å; C440-F562 HydrophobicContact CB-CD1 3.61Å; C440-F562 HydrophobicContact CB-CE1 4.11Å; V448-F562 HydrophobicContact CB-CE1 4.16Å; V448-F562 HydrophobicContact CB-CZ 4.36Å; V448-F562 HydrophobicContact CG1-CE1 3.51Å; V448-F562 HydrophobicContact CG1-CZ 3.77Å; I449-F562 HydrophobicContact CD1-CD2 4.38Å; I449-F562 HydrophobicContact CD1-CE2 4.21Å; I449-F562 HydrophobicContact CG1-CD2 4.11Å; I449-F562 HydrophobicContact CG1-CE2 3.47Å; I449-F562 VanDerWaalsContact CG1-CE2 3.47Å; I449-F562 HydrophobicContact CG1-CZ 3.92Å; V452-F562 HydrophobicContact CG2-CZ 4.18Å; V532-F562 HydrophobicContact CG1-CD2 3.7Å; V532-F562 HydrophobicContact CG1-CE2 3.57Å; Q533-F562 WeakPolarHBondContact O-CB 3.39Å; Q533-F562 PolarHBondContact O-N 2.96Å; C534-F562 WeakPolarHBondContact O-CB 3.46Å; S535-F562 CarbonylContact C-O 3.38Å; S535-F562 WeakPolarHBondContact CA-O 3.34Å; P536-F562 WeakPolarHBondContact CD-O 3.33Å; I560-F562 HydrophobicContact CG2-CE2 4.46Å
563	Y	95.1	Very high	89	Confident	23 Å²	23	60.7 Å²	60.7	9%	0.09	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	146.7	174.1	71.5	-74.8	0	0	0	111.7	A437 I438 A439 C440 E568 L571	A437-Y563 HydrophobicContact CB-CD1 4.13Å; A437-Y563 HydrophobicContact CB-CE1 3.88Å; I438-Y563 VanDerWaalsContact O-CD1 3.3Å; I438-Y563 WeakPolarHBondContact O-CD1 3.29Å; I438-Y563 PolarHBondContact O-N 3.41Å; A439-Y563 WeakPolarHBondContact CA-O 3.46Å; A439-Y563 HydrophobicContact CB-CE1 4.14Å; A439-Y563 HydrophobicContact CB-CE2 4.44Å; C440-Y563 PolarHBondContact N-O 2.99Å; Y563-E568 HydrophobicContact CD2-CB 4.32Å; Y563-E568 HydrophobicContact CE2-CB 4.22Å; Y563-E568 HydrophobicContact CE2-CG 4.1Å; Y563-L571 HydrophobicContact CD1-CD1 4.49Å; Y563-L571 HydrophobicContact CD1-CD2 3.88Å; Y563-L571 HydrophobicContact CD2-CD2 4.3Å; Y563-L571 HydrophobicContact CE1-CD2 3.85Å; Y563-L571 HydrophobicContact CE2-CD2 4.28Å; Y563-L571 HydrophobicContact CG-CD2 4.12Å
564	Q	92.7	Very high	90.1	Very high	22 Å²	22	57 Å²	57	10%	0.103	27%	0.274	C	S	.	.			trans	-87.4	161.4	165.2	-68.1	157.5	86.3	0	0	110.2	C440 K566 E567 E568	C440-Q564 WeakPolarHBondContact O-CG 3.09Å; Q564-K566 HydrophobicContact CB-CG 4.17Å; Q564-K566 PolarHBondContact O-N 2.8Å; Q564-E567 VanDerWaalsContact CB-OE2 3.29Å; Q564-E567 WeakPolarHBondContact CB-OE2 3.37Å; Q564-E567 PolarHBondContact N-OE2 2.87Å; Q564-E567 PolarHBondContact NE2-OE1 2.87Å; Q564-E567 PolarHBondContact NE2-OE2 3.38Å; Q564-E567 WeakPolarHBondContact O-CA 3.31Å; Q564-E567 WeakPolarHBondContact O-CB 3.25Å; Q564-E567 PolarHBondContact O-N 3.01Å; Q564-E568 PolarHBondContact O-N 2.82Å
565	R	86.5	Confident	91.2	Very high	198 Å²	198	54.9 Å²	54.9	75%	0.747	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-19.9	175.9	-175.5	172.7	169.7	-169	-5.4	114.9
566	K	90.7	Very high	91.8	Very high	146 Å²	146	53.7 Å²	53.7	64%	0.635	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-10	174.2	77.2	-163.6	-175.8	-161.6	0	114.1	Q564	Q564-K566 HydrophobicContact CB-CG 4.17Å; Q564-K566 PolarHBondContact O-N 2.8Å
567	E	92.6	Very high	91.9	Very high	22 Å²	22	52.7 Å²	52.7	10%	0.103	24%	0.237	C	C	.	.	S	Bend	trans	-107.7	2.2	-177.3	-73.4	143.1	-161.3	0	0	111.3	P536 Q564 D569 Q570 L571	P536-E567 HydrophobicContact CG-CB 4.2Å; Q564-E567 VanDerWaalsContact CB-OE2 3.29Å; Q564-E567 WeakPolarHBondContact CB-OE2 3.37Å; Q564-E567 PolarHBondContact N-OE2 2.87Å; Q564-E567 PolarHBondContact NE2-OE1 2.87Å; Q564-E567 PolarHBondContact NE2-OE2 3.38Å; Q564-E567 WeakPolarHBondContact O-CA 3.31Å; Q564-E567 WeakPolarHBondContact O-CB 3.25Å; Q564-E567 PolarHBondContact O-N 3.01Å; E567-D569 VanDerWaalsContact C-N 3.32Å; E567-D569 PolarHBondContact O-N 2.87Å; E567-Q570 WeakPolarHBondContact O-CA 3.28Å; E567-Q570 WeakPolarHBondContact O-CB 3.42Å; E567-Q570 PolarHBondContact O-N 3.23Å; E567-L571 PolarHBondContact O-N 3.01Å
568	E	91.2	Very high	91.8	Very high	40 Å²	40	52.5 Å²	52.5	19%	0.187	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-39	179.5	-165.4	-172.1	140.5	0	0	112.2	Y563 Q564 Q570 L571 R572	Y563-E568 HydrophobicContact CD2-CB 4.32Å; Y563-E568 HydrophobicContact CE2-CB 4.22Å; Y563-E568 HydrophobicContact CE2-CG 4.1Å; Q564-E568 PolarHBondContact O-N 2.82Å; E568-Q570 VanDerWaalsContact C-N 3.26Å; E568-Q570 PolarHBondContact O-N 3.34Å; E568-L571 WeakPolarHBondContact O-CB 3.44Å; E568-L571 PolarHBondContact O-N 2.97Å; E568-R572 VanDerWaalsContact O-CG 3.3Å; E568-R572 WeakPolarHBondContact O-CG 2.98Å; E568-R572 PolarHBondContact O-N 3.36Å; E568-R572 IonicContact OE1-CZ 3.68Å; E568-R572 VanDerWaalsContact OE1-CZ 3.3Å; E568-R572 IonicContact OE1-NE 3.37Å; E568-R572 PolarHBondContact OE1-NE 2.58Å; E568-R572 IonicContact OE1-NH2 3.26Å; E568-R572 PolarHBondContact OE1-NH2 3.02Å
569	D	91.3	Very high	91.5	Very high	114 Å²	114	52.6 Å²	52.6	61%	0.61	25%	0.246	S	C	*	.	H	α-helix	trans	-64.2	-31.3	174.5	-66.7	-38.3	0	0	0	112.5	E567 Y573	E567-D569 VanDerWaalsContact C-N 3.32Å; E567-D569 PolarHBondContact O-N 2.87Å; D569-Y573 WeakPolarHBondContact O-CB 3.44Å; D569-Y573 PolarHBondContact O-N 3.27Å
570	Q	92.3	Very high	91.2	Very high	74 Å²	74	53 Å²	53	35%	0.346	25%	0.248	S	C	.	.	H	α-helix	trans	-75.2	-38.3	176.3	-61.4	176.5	-9.9	0	0	110.8	P536 E567 E568 Y573 V574	P536-Q570 HydrophobicContact CB-CB 4.11Å; E567-Q570 WeakPolarHBondContact O-CA 3.28Å; E567-Q570 WeakPolarHBondContact O-CB 3.42Å; E567-Q570 PolarHBondContact O-N 3.23Å; E568-Q570 VanDerWaalsContact C-N 3.26Å; E568-Q570 PolarHBondContact O-N 3.34Å; Q570-Y573 WeakPolarHBondContact O-CB 3.5Å; Q570-Y573 PolarHBondContact O-N 3.26Å; Q570-V574 WeakPolarHBondContact O-CG2 3.41Å; Q570-V574 PolarHBondContact O-N 3.18Å
571	L	93.5	Very high	90.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-49.1	170.8	-167.2	79.4	0	0	0	110.8	A437 P536 C561 Y563 E567 E568 Y573 V574 E575 F582	A437-L571 HydrophobicContact CB-CD1 4.11Å; A437-L571 HydrophobicContact CB-CD2 3.78Å; P536-L571 HydrophobicContact CB-CD1 4.49Å; P536-L571 HydrophobicContact CG-CB 4.22Å; P536-L571 HydrophobicContact CG-CD1 4.13Å; C561-L571 HydrophobicContact CB-CD1 4.16Å; Y563-L571 HydrophobicContact CD1-CD1 4.49Å; Y563-L571 HydrophobicContact CD1-CD2 3.88Å; Y563-L571 HydrophobicContact CD2-CD2 4.3Å; Y563-L571 HydrophobicContact CE1-CD2 3.85Å; Y563-L571 HydrophobicContact CE2-CD2 4.28Å; Y563-L571 HydrophobicContact CG-CD2 4.12Å; E567-L571 PolarHBondContact O-N 3.01Å; E568-L571 WeakPolarHBondContact O-CB 3.44Å; E568-L571 PolarHBondContact O-N 2.97Å; L571-Y573 VanDerWaalsContact C-N 3.3Å; L571-Y573 PolarHBondContact O-N 3.13Å; L571-V574 PolarHBondContact O-N 3.47Å; L571-V574 VanDerWaalsContact O-N 3.13Å; L571-E575 WeakPolarHBondContact O-CG 3.4Å; L571-E575 PolarHBondContact O-N 3Å; L571-F582 HydrophobicContact CD1-CD2 3.58Å; L571-F582 HydrophobicContact CD1-CE1 4.37Å; L571-F582 HydrophobicContact CD1-CE2 3.34Å; L571-F582 HydrophobicContact CD1-CG 4.24Å; L571-F582 HydrophobicContact CD1-CZ 3.77Å; L571-F582 HydrophobicContact CD2-CD2 4.12Å; L571-F582 HydrophobicContact CG-CD2 3.6Å; L571-F582 HydrophobicContact CG-CE2 3.72Å; L571-F582 HydrophobicContact CG-CG 4.45Å
572	R	90.9	Very high	90.6	Very high	52 Å²	52	58.9 Å²	58.9	20%	0.196	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-35.8	175.4	-69.9	168.6	179.1	-78.2	-0.5	112.5	E568 N576 E738	E568-R572 VanDerWaalsContact O-CG 3.3Å; E568-R572 WeakPolarHBondContact O-CG 2.98Å; E568-R572 PolarHBondContact O-N 3.36Å; E568-R572 IonicContact OE1-CZ 3.68Å; E568-R572 VanDerWaalsContact OE1-CZ 3.3Å; E568-R572 IonicContact OE1-NE 3.37Å; E568-R572 PolarHBondContact OE1-NE 2.58Å; E568-R572 IonicContact OE1-NH2 3.26Å; E568-R572 PolarHBondContact OE1-NH2 3.02Å; R572-N576 PolarHBondContact O-N 3.49Å; R572-N576 VanDerWaalsContact O-N 3.16Å; R572-N576 PolarHBondContact O-ND2 2.91Å; R572-E738 IonicContact CZ-OE2 3.3Å; R572-E738 IonicContact NH1-OE2 2.99Å; R572-E738 PolarHBondContact NH1-OE2 2.88Å; R572-E738 IonicContact NH2-OE2 2.77Å; R572-E738 PolarHBondContact NH2-OE2 3.4Å
573	Y	91.3	Very high	90.4	Very high	111 Å²	111	65.5 Å²	65.5	44%	0.435	31%	0.308	S	S	.	.	H	α-helix	trans	-64	-43.5	173.8	176.6	-105.3	0	0	0	111.8	V540 D569 Q570 L571 K577	V540-Y573 HydrophobicContact CG2-CD1 3.94Å; V540-Y573 HydrophobicContact CG2-CE1 3.49Å; V540-Y573 VanDerWaalsContact CG2-CE1 3.49Å; D569-Y573 WeakPolarHBondContact O-CB 3.44Å; D569-Y573 PolarHBondContact O-N 3.27Å; Q570-Y573 WeakPolarHBondContact O-CB 3.5Å; Q570-Y573 PolarHBondContact O-N 3.26Å; L571-Y573 VanDerWaalsContact C-N 3.3Å; L571-Y573 PolarHBondContact O-N 3.13Å; Y573-K577 HydrophobicContact CD2-CG 4.04Å; Y573-K577 HydrophobicContact CE1-CG 4.4Å; Y573-K577 HydrophobicContact CE2-CD 4.19Å; Y573-K577 HydrophobicContact CE2-CG 3.74Å; Y573-K577 HydrophobicContact CG-CG 4.47Å; Y573-K577 VanDerWaalsContact O-CB 3.27Å; Y573-K577 WeakPolarHBondContact O-CB 3.14Å; Y573-K577 VanDerWaalsContact O-CG 3.23Å; Y573-K577 WeakPolarHBondContact O-CG 3.42Å; Y573-K577 PolarHBondContact O-N 3.38Å; Y573-K577 VanDerWaalsContact O-N 3.09Å
574	V	92.5	Very high	90.2	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-45.2	175.4	173.1	0	0	0	0	111.5	Y543 Q570 L571 K577 A578 I580 F582	Y543-V574 HydrophobicContact CD1-CG1 3.92Å; Y543-V574 HydrophobicContact CD2-CG1 3.83Å; Y543-V574 HydrophobicContact CE2-CG1 4.45Å; Y543-V574 HydrophobicContact CG-CG1 3.55Å; Q570-V574 WeakPolarHBondContact O-CG2 3.41Å; Q570-V574 PolarHBondContact O-N 3.18Å; L571-V574 PolarHBondContact O-N 3.47Å; L571-V574 VanDerWaalsContact O-N 3.13Å; V574-K577 PolarHBondContact O-N 3.08Å; V574-A578 VanDerWaalsContact O-CB 3.22Å; V574-A578 WeakPolarHBondContact O-CB 3.49Å; V574-A578 PolarHBondContact O-N 3.39Å; V574-I580 HydrophobicContact CG1-CD1 4.2Å; V574-F582 HydrophobicContact CG1-CE2 4.24Å; V574-F582 HydrophobicContact CG1-CZ 4.28Å
575	E	90.6	Very high	90	Very high	20 Å²	20	67.4 Å²	67.4	9%	0.093	32%	0.317	C	S	.	.	H	α-helix	trans	-51.4	-60.2	175.1	-72.1	179.3	122.6	0	0	111.8	L571 K577 A578 G579 I580 F582 R584	L571-E575 WeakPolarHBondContact O-CG 3.4Å; L571-E575 PolarHBondContact O-N 3Å; E575-K577 VanDerWaalsContact C-N 3.28Å; E575-K577 PolarHBondContact O-N 3.28Å; E575-A578 PolarHBondContact O-N 3.36Å; E575-G579 PolarHBondContact O-N 3.45Å; E575-I580 CarbonylContact C-O 3.32Å; E575-I580 VanDerWaalsContact CA-O 3.24Å; E575-I580 WeakPolarHBondContact CA-O 3.49Å; E575-I580 VanDerWaalsContact CB-O 3.26Å; E575-I580 WeakPolarHBondContact CB-O 3.24Å; E575-I580 PolarHBondContact O-N 3.17Å; E575-F582 HydrophobicContact CG-CD2 3.33Å; E575-F582 HydrophobicContact CG-CE2 3.79Å; E575-F582 HydrophobicContact CG-CG 4.35Å; E575-F582 PolarHBondContact OE1-N 3.17Å; E575-R584 IonicContact OE1-CZ 3.76Å; E575-R584 IonicContact OE1-NH1 2.67Å; E575-R584 PolarHBondContact OE1-NH1 3.23Å; E575-R584 IonicContact OE1-NH2 3.35Å; E575-R584 PolarHBondContact OE1-NH2 2.86Å; E575-R584 IonicContact OE2-CZ 2.7Å; E575-R584 IonicContact OE2-NH1 3.49Å; E575-R584 IonicContact OE2-NH2 3.98Å; E575-R584 PolarHBondContact OE2-NH2 2.85Å
576	N	87.9	Confident	89.8	Confident	136 Å²	136	58.5 Å²	58.5	73%	0.727	29%	0.286	S	S	*	.	H	α-helix	trans	-62.2	-31.8	-176.3	-76.4	-67.8	0	0	0	113.5	R572	R572-N576 PolarHBondContact O-N 3.49Å; R572-N576 VanDerWaalsContact O-N 3.16Å; R572-N576 PolarHBondContact O-ND2 2.91Å
577	K	86.6	Confident	89.4	Confident	103 Å²	103	51.9 Å²	51.9	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-92.7	-28.9	-175.9	-70.4	-76.6	-166.4	174.5	0	113.9	K428 V540 Y573 V574 E575	K428-K577 WeakPolarHBondContact CE-O 3.24Å; K428-K577 PolarHBondContact NZ-O 2.74Å; V540-K577 HydrophobicContact CB-CB 4.05Å; V540-K577 HydrophobicContact CG1-CB 3.66Å; V540-K577 HydrophobicContact CG2-CB 3.44Å; V540-K577 VanDerWaalsContact CG2-CB 3.44Å; V540-K577 HydrophobicContact CG2-CG 3.98Å; Y573-K577 HydrophobicContact CD2-CG 4.04Å; Y573-K577 HydrophobicContact CE1-CG 4.4Å; Y573-K577 HydrophobicContact CE2-CD 4.19Å; Y573-K577 HydrophobicContact CE2-CG 3.74Å; Y573-K577 HydrophobicContact CG-CG 4.47Å; Y573-K577 VanDerWaalsContact O-CB 3.27Å; Y573-K577 WeakPolarHBondContact O-CB 3.14Å; Y573-K577 VanDerWaalsContact O-CG 3.23Å; Y573-K577 WeakPolarHBondContact O-CG 3.42Å; Y573-K577 PolarHBondContact O-N 3.38Å; Y573-K577 VanDerWaalsContact O-N 3.09Å; V574-K577 PolarHBondContact O-N 3.08Å; E575-K577 VanDerWaalsContact C-N 3.28Å; E575-K577 PolarHBondContact O-N 3.28Å
578	A	86	Confident	89	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-85.8	-19.6	174.9	0	0	0	0	0	112.4	K428 V540 I544 V574 E575 I580	K428-A578 WeakPolarHBondContact CB-O 3.33Å; K428-A578 PolarHBondContact N-O 3.17Å; V540-A578 HydrophobicContact CG1-CB 3.77Å; I544-A578 HydrophobicContact CD1-CB 4.36Å; I544-A578 HydrophobicContact CG1-CB 4.25Å; V574-A578 VanDerWaalsContact O-CB 3.22Å; V574-A578 WeakPolarHBondContact O-CB 3.49Å; V574-A578 PolarHBondContact O-N 3.39Å; E575-A578 PolarHBondContact O-N 3.36Å; A578-I580 HydrophobicContact CB-CD1 4.18Å; A578-I580 HydrophobicContact CB-CG1 4.08Å; A578-I580 HydrophobicContact CB-CG2 4.18Å
579	G	85.6	Confident	88.3	Confident	41 Å²	41	51 Å²	51	42%	0.423	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	43.1	-172.2	0	0	0	0	0	111.3	Q427 E575	Q427-G579 WeakPolarHBondContact CA-O 3.42Å; Q427-G579 WeakPolarHBondContact CB-O 3.45Å; E575-G579 PolarHBondContact O-N 3.45Å
580	I	89.4	Confident	87.4	Confident	10 Å²	10	46.7 Å²	46.7	5%	0.051	24%	0.237	C	C	.	.			trans	-124.1	156	176.9	67.1	-177.9	0	0	0	109.5	Q427 A429 H435 Y543 V574 E575 A578 F582	Q427-I580 HydrophobicContact CG-CG2 3.82Å; A429-I580 HydrophobicContact CB-CG2 4.07Å; H435-I580 HydrophobicContact CB-CD1 4.46Å; Y543-I580 HydrophobicContact CD1-CD1 3.98Å; Y543-I580 HydrophobicContact CE1-CD1 3.39Å; V574-I580 HydrophobicContact CG1-CD1 4.2Å; E575-I580 CarbonylContact C-O 3.32Å; E575-I580 VanDerWaalsContact CA-O 3.24Å; E575-I580 WeakPolarHBondContact CA-O 3.49Å; E575-I580 VanDerWaalsContact CB-O 3.26Å; E575-I580 WeakPolarHBondContact CB-O 3.24Å; E575-I580 PolarHBondContact O-N 3.17Å; A578-I580 HydrophobicContact CB-CD1 4.18Å; A578-I580 HydrophobicContact CB-CG1 4.08Å; A578-I580 HydrophobicContact CB-CG2 4.18Å; I580-F582 HydrophobicContact CD1-CE1 4.29Å; I580-F582 HydrophobicContact CD1-CE2 4.04Å; I580-F582 HydrophobicContact CD1-CZ 3.84Å
581	T	87.9	Confident	86.7	Confident	119 Å²	119	48.6 Å²	48.6	73%	0.73	25%	0.25	S	C	*	.			trans	-117.1	127	165.8	-54.6	0	0	0	0	107.2
582	F	92.1	Very high	86	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.018	27%	0.265	C	S	.	.			trans	-78.7	123.8	172.5	-73	-76.1	0	0	0	110.3	H435 L436 A437 Y543 C561 L571 V574 E575 I580 R584	H435-F582 HydrophobicContact CB-CD1 3.97Å; H435-F582 HydrophobicContact CB-CE1 4.21Å; H435-F582 WeakPolarHBondContact O-CA 3.4Å; L436-F582 WeakPolarHBondContact O-CD1 3.47Å; A437-F582 HydrophobicContact CB-CB 3.68Å; A437-F582 HydrophobicContact CB-CD1 3.89Å; A437-F582 HydrophobicContact CB-CG 3.81Å; Y543-F582 HydrophobicContact CD2-CZ 4.36Å; Y543-F582 HydrophobicContact CE1-CZ 4.49Å; Y543-F582 AromaticContact CE2-CE1 3.89Å; Y543-F582 HydrophobicContact CE2-CE1 3.89Å; Y543-F582 AromaticContact CE2-CZ 3.57Å; Y543-F582 HydrophobicContact CE2-CZ 3.57Å; Y543-F582 AromaticContact CZ-CE1 3.75Å; Y543-F582 AromaticContact CZ-CZ 3.67Å; Y543-F582 VanDerWaalsContact OH-CE1 3.27Å; Y543-F582 WeakPolarHBondContact OH-CE1 3.44Å; C561-F582 HydrophobicContact CB-CE1 3.71Å; C561-F582 HydrophobicContact CB-CZ 3.99Å; L571-F582 HydrophobicContact CD1-CD2 3.58Å; L571-F582 HydrophobicContact CD1-CE1 4.37Å; L571-F582 HydrophobicContact CD1-CE2 3.34Å; L571-F582 HydrophobicContact CD1-CG 4.24Å; L571-F582 HydrophobicContact CD1-CZ 3.77Å; L571-F582 HydrophobicContact CD2-CD2 4.12Å; L571-F582 HydrophobicContact CG-CD2 3.6Å; L571-F582 HydrophobicContact CG-CE2 3.72Å; L571-F582 HydrophobicContact CG-CG 4.45Å; V574-F582 HydrophobicContact CG1-CE2 4.24Å; V574-F582 HydrophobicContact CG1-CZ 4.28Å; E575-F582 HydrophobicContact CG-CD2 3.33Å; E575-F582 HydrophobicContact CG-CE2 3.79Å; E575-F582 HydrophobicContact CG-CG 4.35Å; E575-F582 PolarHBondContact OE1-N 3.17Å; I580-F582 HydrophobicContact CD1-CE1 4.29Å; I580-F582 HydrophobicContact CD1-CE2 4.04Å; I580-F582 HydrophobicContact CD1-CZ 3.84Å; F582-R584 PolarHBondContact O-N 3.46Å; F582-R584 VanDerWaalsContact O-N 3.07Å; F582-R584 PolarHBondContact O-NH1 2.98Å
583	R	92.6	Very high	85.4	Confident	138 Å²	138	49.8 Å²	49.8	52%	0.521	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	106.2	159.3	-173.8	-175.5	175.2	-168.2	-2.5	106.9	E434 H435 L436 A437 V585 E732	E434-R583 IonicContact OE1-NH1 2.75Å; E434-R583 PolarHBondContact OE1-NH1 3.46Å; H435-R583 PolarHBondContact O-N 3.31Å; L436-R583 WeakPolarHBondContact CA-O 3.45Å; L436-R583 HydrophobicContact CD2-CB 3.82Å; L436-R583 HydrophobicContact CD2-CG 4.28Å; A437-R583 PolarHBondContact N-O 2.88Å; R583-V585 HydrophobicContact CG-CG1 3.84Å; R583-V585 PolarHBondContact O-N 3.04Å; R583-E732 IonicContact NH2-OE2 2.73Å
584	R	90.1	Very high	84.8	Confident	68 Å²	68	47.4 Å²	47.4	26%	0.257	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	120.9	176.3	-71.2	153.2	175.5	73.1	-2.6	107.3	A437 E575 F582	A437-R584 HydrophobicContact CB-CG 4.45Å; A437-R584 WeakPolarHBondContact O-CA 3.22Å; E575-R584 IonicContact OE1-CZ 3.76Å; E575-R584 IonicContact OE1-NH1 2.67Å; E575-R584 PolarHBondContact OE1-NH1 3.23Å; E575-R584 IonicContact OE1-NH2 3.35Å; E575-R584 PolarHBondContact OE1-NH2 2.86Å; E575-R584 IonicContact OE2-CZ 2.7Å; E575-R584 IonicContact OE2-NH1 3.49Å; E575-R584 IonicContact OE2-NH2 3.98Å; E575-R584 PolarHBondContact OE2-NH2 2.85Å; F582-R584 PolarHBondContact O-N 3.46Å; F582-R584 VanDerWaalsContact O-N 3.07Å; F582-R584 PolarHBondContact O-NH1 2.98Å
585	V	89.1	Confident	84.3	Confident	18 Å²	18	54.1 Å²	54.1	11%	0.109	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.2	-176.4	-59	0	0	0	0	110.3	L436 A437 I438 R583	L436-V585 HydrophobicContact CB-CG2 4.19Å; L436-V585 HydrophobicContact CD1-CG2 4.39Å; L436-V585 HydrophobicContact CD2-CG1 4.22Å; A437-V585 PolarHBondContact O-N 2.87Å; I438-V585 HydrophobicContact CD1-CG2 4.29Å; I438-V585 HydrophobicContact CG1-CG2 3.75Å; R583-V585 HydrophobicContact CG-CG1 3.84Å; R583-V585 PolarHBondContact O-N 3.04Å
586	G	81.9	Confident	83.8	Confident	10 Å²	10	54.1 Å²	54.1	10%	0.103	29%	0.285	C	S	.	.			trans	-76.2	179.8	175.2	0	0	0	0	0	112.4	L651	G586-L651 WeakPolarHBondContact CA-O 3.38Å
587	V	83.1	Confident	83.2	Confident	8 Å²	8	48.4 Å²	48.4	5%	0.048	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-63.4	140.4	163.5	178.1	0	0	0	0	109.1	I438 V448 T589 L651 S654	I438-V587 HydrophobicContact CG2-CG2 4.34Å; V448-V587 HydrophobicContact CG1-CB 4.45Å; V448-V587 HydrophobicContact CG1-CG1 4.05Å; V448-V587 HydrophobicContact CG1-CG2 3.82Å; V448-V587 HydrophobicContact CG2-CG2 4.22Å; V587-T589 PolarHBondContact O-N 3.39Å; V587-L651 WeakPolarHBondContact O-CD2 3.49Å; V587-S654 WeakPolarHBondContact CG2-OG 3.2Å
588	P	82.5	Confident	82.9	Confident	12 Å²	12	45.6 Å²	45.6	8%	0.078	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-55.2	133.4	170.8	-23.8	33.7	0	0	0	111.1	V452 V455 Y456 D592 I593	V452-P588 HydrophobicContact CG2-CG 3.83Å; V455-P588 HydrophobicContact CB-CB 4.17Å; V455-P588 HydrophobicContact CB-CG 4.26Å; V455-P588 HydrophobicContact CG1-CB 4.24Å; V455-P588 HydrophobicContact CG1-CG 4.45Å; V455-P588 HydrophobicContact CG2-CB 3.82Å; V455-P588 HydrophobicContact CG2-CG 4.37Å; Y456-P588 HydrophobicContact CE2-CG 4.09Å; P588-D592 HydrophobicContact CB-CB 4.27Å; P588-I593 HydrophobicContact CB-CG1 4.47Å
589	T	77.4	Confident	82.6	Confident	32 Å²	32	51.7 Å²	51.7	20%	0.196	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-71.5	162.6	-177.5	70.2	0	0	0	0	111.1	V587 N591 D592 I593 L651 T731	V587-T589 PolarHBondContact O-N 3.39Å; T589-N591 PolarHBondContact O-N 3.36Å; T589-N591 VanDerWaalsContact O-N 3.13Å; T589-N591 PolarHBondContact OG1-N 2.9Å; T589-D592 WeakPolarHBondContact CB-OD2 3.46Å; T589-D592 PolarHBondContact N-OD2 3.33Å; T589-D592 PolarHBondContact O-N 2.85Å; T589-D592 VanDerWaalsContact OG1-CG 3.28Å; T589-D592 PolarHBondContact OG1-N 3.49Å; T589-D592 PolarHBondContact OG1-OD2 2.97Å; T589-I593 WeakPolarHBondContact O-CG1 3.43Å; T589-I593 PolarHBondContact O-N 3.18Å; T589-L651 HydrophobicContact CG2-CD2 4.22Å; T589-T731 WeakPolarHBondContact CG2-O 3.43Å
590	A	73.2	Confident	82.2	Confident	22 Å²	22	49.9 Å²	49.9	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-51.2	-35.5	169.7	0	0	0	0	0	112.1	I593 I594 L646	A590-I593 PolarHBondContact O-N 2.97Å; A590-I594 WeakPolarHBondContact O-CD1 3.38Å; A590-I594 VanDerWaalsContact O-CG1 3.24Å; A590-I594 WeakPolarHBondContact O-CG1 3.27Å; A590-I594 PolarHBondContact O-N 3.21Å; A590-L646 HydrophobicContact CB-CB 4Å
591	N	76.7	Confident	81.9	Confident	114 Å²	114	49.5 Å²	49.5	61%	0.61	25%	0.254	S	S	*	.	H	α-helix	trans	-68.7	-37	177.7	-64.1	-16.9	0	0	0	112.4	T589 K595	T589-N591 PolarHBondContact O-N 3.36Å; T589-N591 VanDerWaalsContact O-N 3.13Å; T589-N591 PolarHBondContact OG1-N 2.9Å; N591-K595 WeakPolarHBondContact O-CB 3.32Å; N591-K595 PolarHBondContact O-N 3.06Å
592	D	79.4	Confident	81.6	Confident	61 Å²	61	45.8 Å²	45.8	33%	0.326	24%	0.236	S	C	.	.	H	α-helix	trans	-69.4	-39.7	176.4	-57.3	-55.6	0	0	0	111.3	V455 P588 T589 K595 S596	V455-D592 HydrophobicContact CG1-CB 4.37Å; V455-D592 HydrophobicContact CG2-CB 4.25Å; P588-D592 HydrophobicContact CB-CB 4.27Å; T589-D592 WeakPolarHBondContact CB-OD2 3.46Å; T589-D592 PolarHBondContact N-OD2 3.33Å; T589-D592 PolarHBondContact O-N 2.85Å; T589-D592 VanDerWaalsContact OG1-CG 3.28Å; T589-D592 PolarHBondContact OG1-N 3.49Å; T589-D592 PolarHBondContact OG1-OD2 2.97Å; D592-K595 PolarHBondContact O-N 3.46Å; D592-S596 WeakPolarHBondContact O-CB 3.45Å; D592-S596 PolarHBondContact O-N 3.11Å
593	I	78.6	Confident	81.1	Confident	17 Å²	17	52 Å²	52	9%	0.087	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-46.9	175.6	-61.3	162.4	0	0	0	110.1	D451 V455 P588 T589 A590 S596 S597 L646	D451-I593 HydrophobicContact CB-CD1 3.79Å; D451-I593 HydrophobicContact CB-CG1 4.24Å; V455-I593 HydrophobicContact CG2-CG1 3.95Å; P588-I593 HydrophobicContact CB-CG1 4.47Å; T589-I593 WeakPolarHBondContact O-CG1 3.43Å; T589-I593 PolarHBondContact O-N 3.18Å; A590-I593 PolarHBondContact O-N 2.97Å; I593-S596 PolarHBondContact O-N 3.25Å; I593-S597 WeakPolarHBondContact O-CB 3.15Å; I593-S597 PolarHBondContact O-N 3.06Å; I593-L646 HydrophobicContact CB-CD2 4.42Å; I593-L646 HydrophobicContact CG2-CD2 4.05Å
594	I	78.4	Confident	80.5	Confident	61 Å²	61	49.9 Å²	49.9	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-57	-54.1	171.8	-66.2	161.6	0	0	0	109.8	A590 S596 S597 S598 A643 L646	A590-I594 WeakPolarHBondContact O-CD1 3.38Å; A590-I594 VanDerWaalsContact O-CG1 3.24Å; A590-I594 WeakPolarHBondContact O-CG1 3.27Å; A590-I594 PolarHBondContact O-N 3.21Å; I594-S596 PolarHBondContact O-N 2.97Å; I594-S597 CarbonylContact O-C 3.58Å; I594-S597 PolarHBondContact O-N 3.48Å; I594-S597 VanDerWaalsContact O-N 3.1Å; I594-S598 WeakPolarHBondContact O-CB 3.32Å; I594-S598 PolarHBondContact O-N 3.03Å; I594-S598 PolarHBondContact O-OG 3.27Å; I594-A643 HydrophobicContact CG1-CB 4.22Å; I594-L646 HydrophobicContact CD1-CD1 3.58Å; I594-L646 HydrophobicContact CG1-CD1 3.34Å
595	K	81.5	Confident	80.2	Confident	141 Å²	141	50.3 Å²	50.3	61%	0.613	26%	0.261	S	S	*	.	H	α-helix	trans	-63.3	-26.9	-174	-172.7	177.4	-177.6	-179.2	0	113.7	N591 D592 K599	N591-K595 WeakPolarHBondContact O-CB 3.32Å; N591-K595 PolarHBondContact O-N 3.06Å; D592-K595 PolarHBondContact O-N 3.46Å; K595-K599 WeakPolarHBondContact O-CG 3.4Å
596	S	79.2	Confident	79.9	Confident	21 Å²	21	56.2 Å²	56.2	15%	0.147	29%	0.292	C	S	.	.	H	α-helix	trans	-77.6	-52.5	168.9	-160.1	0	0	0	0	111.1	Q454 D592 I593 I594 S598 K599 D600	Q454-S596 WeakPolarHBondContact O-CB 3.47Å; Q454-S596 PolarHBondContact O-OG 3.28Å; D592-S596 WeakPolarHBondContact O-CB 3.45Å; D592-S596 PolarHBondContact O-N 3.11Å; I593-S596 PolarHBondContact O-N 3.25Å; I594-S596 PolarHBondContact O-N 2.97Å; S596-S598 VanDerWaalsContact C-N 3.28Å; S596-S598 PolarHBondContact O-N 3.26Å; S596-K599 WeakPolarHBondContact O-CB 3.49Å; S596-K599 PolarHBondContact O-N 2.91Å; S596-D600 PolarHBondContact O-N 2.88Å; S596-D600 VanDerWaalsContact O-N 3.11Å
597	S	75.9	Confident	80	Confident	16 Å²	16	59.7 Å²	59.7	11%	0.112	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-30.3	-176.4	-158.7	0	0	0	0	113.2	I593 I594 D600 A601 S641	I593-S597 WeakPolarHBondContact O-CB 3.15Å; I593-S597 PolarHBondContact O-N 3.06Å; I594-S597 CarbonylContact O-C 3.58Å; I594-S597 PolarHBondContact O-N 3.48Å; I594-S597 VanDerWaalsContact O-N 3.1Å; S597-D600 PolarHBondContact O-N 3.36Å; S597-A601 WeakPolarHBondContact O-CB 3.49Å; S597-A601 PolarHBondContact O-N 3.06Å; S597-S641 WeakPolarHBondContact OG-CA 3.49Å; S597-S641 VanDerWaalsContact OG-CB 3.26Å; S597-S641 WeakPolarHBondContact OG-CB 3.43Å; S597-S641 PolarHBondContact OG-O 3.02Å
598	S	79.6	Confident	80.1	Confident	43 Å²	43	62.3 Å²	62.3	30%	0.301	33%	0.33	S	S	.	.	H	α-helix	trans	-67.7	-32.9	171.5	-59.8	0	0	0	0	113.4	I594 S596 A602	I594-S598 WeakPolarHBondContact O-CB 3.32Å; I594-S598 PolarHBondContact O-N 3.03Å; I594-S598 PolarHBondContact O-OG 3.27Å; S596-S598 VanDerWaalsContact C-N 3.28Å; S596-S598 PolarHBondContact O-N 3.26Å; S598-A602 PolarHBondContact O-N 2.91Å; S598-A602 VanDerWaalsContact O-N 3.08Å
599	K	80.4	Confident	80.4	Confident	130 Å²	130	65.5 Å²	65.5	57%	0.565	35%	0.351	S	S	*	.	H	α-helix	trans	-71.7	-38.2	173.6	-67.4	171.8	179.5	-179.5	0	111.2	K595 S596 A602 R603	K595-K599 WeakPolarHBondContact O-CG 3.4Å; S596-K599 WeakPolarHBondContact O-CB 3.49Å; S596-K599 PolarHBondContact O-N 2.91Å; K599-A602 PolarHBondContact O-N 3.31Å; K599-R603 WeakPolarHBondContact O-CG 3.13Å; K599-R603 PolarHBondContact O-N 3.06Å
600	D	77.9	Confident	80.7	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.016	37%	0.372	C	S	.	.	H	α-helix	trans	-67	-42.4	174.3	-72.1	-32.7	0	0	0	111	Q454 S459 S596 S597 A602 R603 F604	Q454-D600 PolarHBondContact NE2-OD2 3.15Å; S459-D600 WeakPolarHBondContact CB-OD1 3.34Å; S459-D600 WeakPolarHBondContact CB-OD2 3.31Å; S459-D600 PolarHBondContact N-OD1 2.81Å; S459-D600 PolarHBondContact N-OD2 2.91Å; S459-D600 PolarHBondContact OG-OD1 3.3Å; S596-D600 PolarHBondContact O-N 2.88Å; S596-D600 VanDerWaalsContact O-N 3.11Å; S597-D600 PolarHBondContact O-N 3.36Å; D600-A602 VanDerWaalsContact C-N 3.34Å; D600-A602 PolarHBondContact O-N 3.32Å; D600-R603 WeakPolarHBondContact O-CB 3.49Å; D600-R603 PolarHBondContact O-N 3.46Å; D600-R603 IonicContact OD1-NH1 2.69Å; D600-R603 PolarHBondContact OD1-NH1 3.22Å; D600-F604 HydrophobicContact CB-CE2 4.25Å; D600-F604 WeakPolarHBondContact O-CD2 3.21Å; D600-F604 WeakPolarHBondContact O-CG 3.39Å; D600-F604 PolarHBondContact O-N 3.35Å
601	A	82.1	Confident	81.4	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.008	39%	0.393	C	S	.	.	H	α-helix	trans	-58.8	-40.5	173.2	0	0	0	0	0	113.1	S597 F604 L605 L637 I640	S597-A601 WeakPolarHBondContact O-CB 3.49Å; S597-A601 PolarHBondContact O-N 3.06Å; A601-F604 PolarHBondContact O-N 3.03Å; A601-L605 PolarHBondContact O-N 3.33Å; A601-L605 VanDerWaalsContact O-N 3.13Å; A601-L637 HydrophobicContact CB-CD2 3.8Å; A601-I640 HydrophobicContact CB-CB 4.27Å; A601-I640 HydrophobicContact CB-CG2 3.76Å
602	A	82.6	Confident	81.8	Confident	42 Å²	42	67.4 Å²	67.4	35%	0.347	38%	0.376	S	S	.	.	H	α-helix	trans	-61.3	-46.7	173.7	0	0	0	0	0	112.1	S598 K599 D600 F604 L605 D606	S598-A602 PolarHBondContact O-N 2.91Å; S598-A602 VanDerWaalsContact O-N 3.08Å; K599-A602 PolarHBondContact O-N 3.31Å; D600-A602 VanDerWaalsContact C-N 3.34Å; D600-A602 PolarHBondContact O-N 3.32Å; A602-F604 VanDerWaalsContact C-N 3.28Å; A602-F604 PolarHBondContact O-N 3.36Å; A602-L605 WeakPolarHBondContact O-CB 3.45Å; A602-L605 PolarHBondContact O-N 2.72Å; A602-L605 VanDerWaalsContact O-N 3.08Å; A602-D606 PolarHBondContact O-N 3.02Å; A602-D606 VanDerWaalsContact O-N 3.08Å
603	R	80.8	Confident	82	Confident	134 Å²	134	68.1 Å²	68.1	51%	0.506	38%	0.382	S	S	.	.	H	α-helix	trans	-61.6	-34.4	175.2	-68.6	162.8	168.1	171.9	-10.2	113	K599 D600 L605 D606 S607	K599-R603 WeakPolarHBondContact O-CG 3.13Å; K599-R603 PolarHBondContact O-N 3.06Å; D600-R603 WeakPolarHBondContact O-CB 3.49Å; D600-R603 PolarHBondContact O-N 3.46Å; D600-R603 IonicContact OD1-NH1 2.69Å; D600-R603 PolarHBondContact OD1-NH1 3.22Å; R603-L605 VanDerWaalsContact C-N 3.34Å; R603-D606 PolarHBondContact O-N 3.34Å; R603-S607 PolarHBondContact O-N 3.13Å
604	F	81.1	Confident	82.3	Confident	94 Å²	94	72.9 Å²	72.9	41%	0.412	40%	0.404	S	S	.	.	H	α-helix	trans	-66.8	-35.7	174.8	-68.6	-47.9	0	0	0	111.7	D600 A601 A602 S607 V608	D600-F604 HydrophobicContact CB-CE2 4.25Å; D600-F604 WeakPolarHBondContact O-CD2 3.21Å; D600-F604 WeakPolarHBondContact O-CG 3.39Å; D600-F604 PolarHBondContact O-N 3.35Å; A601-F604 PolarHBondContact O-N 3.03Å; A602-F604 VanDerWaalsContact C-N 3.28Å; A602-F604 PolarHBondContact O-N 3.36Å; F604-S607 PolarHBondContact O-N 2.62Å; F604-S607 PolarHBondContact O-OG 3.39Å; F604-V608 WeakPolarHBondContact O-CG2 3.25Å
605	L	83.2	Confident	82.8	Confident	77 Å²	77	79.5 Å²	79.5	40%	0.403	43%	0.427	S	S	.	.	H	α-helix	trans	-64	-42.6	171	-64.3	175.1	0	0	0	111.9	A601 A602 R603 S607 V608 L633 L637 I640	A601-L605 PolarHBondContact O-N 3.33Å; A601-L605 VanDerWaalsContact O-N 3.13Å; A602-L605 WeakPolarHBondContact O-CB 3.45Å; A602-L605 PolarHBondContact O-N 2.72Å; A602-L605 VanDerWaalsContact O-N 3.08Å; R603-L605 VanDerWaalsContact C-N 3.34Å; L605-S607 PolarHBondContact O-N 2.88Å; L605-S607 VanDerWaalsContact O-N 3.15Å; L605-V608 PolarHBondContact O-N 2.6Å; L605-V608 VanDerWaalsContact O-N 3.1Å; L605-L633 HydrophobicContact CD1-CD1 4.4Å; L605-L637 HydrophobicContact CD1-CD2 3.79Å; L605-I640 HydrophobicContact CD2-CD1 4.12Å
606	D	83.3	Confident	83	Confident	141 Å²	141	79.3 Å²	79.3	75%	0.754	43%	0.426	S	S	*	.	H	α-helix	trans	-59.3	-25	175.1	-62.4	-35.7	0	0	0	113	A602 R603	A602-D606 PolarHBondContact O-N 3.02Å; A602-D606 VanDerWaalsContact O-N 3.08Å; R603-D606 PolarHBondContact O-N 3.34Å
607	S	83.6	Confident	83.4	Confident	83 Å²	83	84.6 Å²	84.6	58%	0.58	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.8	179.2	77.5	0	0	0	0	114.9	R603 F604 L605	R603-S607 PolarHBondContact O-N 3.13Å; F604-S607 PolarHBondContact O-N 2.62Å; F604-S607 PolarHBondContact O-OG 3.39Å; L605-S607 PolarHBondContact O-N 2.88Å; L605-S607 VanDerWaalsContact O-N 3.15Å
608	V	85.9	Confident	84.1	Confident	63 Å²	63	91.8 Å²	91.8	38%	0.382	48%	0.475	S	S	.	.	S	Bend	trans	-75.7	123.9	-179.2	-177.3	0	0	0	0	110	F604 L605 A612 V613	F604-V608 WeakPolarHBondContact O-CG2 3.25Å; L605-V608 PolarHBondContact O-N 2.6Å; L605-V608 VanDerWaalsContact O-N 3.1Å; V608-A612 HydrophobicContact CG1-CB 3.97Å; V608-V613 HydrophobicContact CB-CG2 4.43Å; V608-V613 HydrophobicContact CG1-CG2 3.76Å
609	P	87.3	Confident	84.5	Confident	79 Å²	79	93 Å²	93	51%	0.513	48%	0.483	S	S	.	.			trans	-66.9	138.5	176.8	27.8	-33.9	0	0	0	110.7	T611 A612 V613	P609-T611 PolarHBondContact O-N 2.98Å; P609-A612 HydrophobicContact CG-CB 4.03Å; P609-A612 WeakPolarHBondContact O-CB 3.37Å; P609-A612 PolarHBondContact O-N 2.85Å; P609-V613 PolarHBondContact O-N 3.18Å
610	A	84.1	Confident	84.8	Confident	78 Å²	78	88.9 Å²	88.9	65%	0.645	47%	0.473	S	S	*	.	H	α-helix	trans	-53.6	-33.1	-175.4	0	0	0	0	0	114	A612 V613 E614	A610-A612 VanDerWaalsContact C-N 3.29Å; A610-A612 PolarHBondContact O-N 3.43Å; A610-V613 WeakPolarHBondContact O-CB 3.26Å; A610-V613 PolarHBondContact O-N 2.98Å; A610-V613 VanDerWaalsContact O-N 3.15Å; A610-E614 WeakPolarHBondContact O-CG 3.24Å; A610-E614 PolarHBondContact O-N 2.98Å
611	T	87.5	Confident	85.3	Confident	101 Å²	101	93.2 Å²	93.2	62%	0.62	49%	0.493	S	S	*	.	H	α-helix	trans	-63.8	-29.1	175.3	50.3	0	0	0	0	113.7	P609 Y615	P609-T611 PolarHBondContact O-N 2.98Å; T611-Y615 WeakPolarHBondContact O-CD2 3.34Å; T611-Y615 WeakPolarHBondContact O-CE2 3.35Å
612	A	84.7	Confident	85.7	Confident	30 Å²	30	99.3 Å²	99.3	25%	0.248	52%	0.52	C	S	.	.	H	α-helix	trans	-74.6	-36.2	173	0	0	0	0	0	111.4	V608 P609 A610 E614 Y615 F616	V608-A612 HydrophobicContact CG1-CB 3.97Å; P609-A612 HydrophobicContact CG-CB 4.03Å; P609-A612 WeakPolarHBondContact O-CB 3.37Å; P609-A612 PolarHBondContact O-N 2.85Å; A610-A612 VanDerWaalsContact C-N 3.29Å; A610-A612 PolarHBondContact O-N 3.43Å; A612-E614 VanDerWaalsContact C-N 3.26Å; A612-E614 PolarHBondContact O-N 2.98Å; A612-Y615 PolarHBondContact O-N 3.09Å; A612-F616 VanDerWaalsContact O-CD2 3.27Å; A612-F616 WeakPolarHBondContact O-CD2 3.38Å
613	V	83.9	Confident	86	Confident	75 Å²	75	101 Å²	101	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-60.9	-34.3	-179.8	-175.4	0	0	0	0	111.8	V608 P609 A610 Y615 F616 R617	V608-V613 HydrophobicContact CB-CG2 4.43Å; V608-V613 HydrophobicContact CG1-CG2 3.76Å; P609-V613 PolarHBondContact O-N 3.18Å; A610-V613 WeakPolarHBondContact O-CB 3.26Å; A610-V613 PolarHBondContact O-N 2.98Å; A610-V613 VanDerWaalsContact O-N 3.15Å; V613-Y615 VanDerWaalsContact C-N 3.34Å; V613-Y615 PolarHBondContact O-N 3.35Å; V613-F616 PolarHBondContact O-N 2.78Å; V613-F616 VanDerWaalsContact O-N 3.08Å; V613-R617 PolarHBondContact O-N 2.85Å
614	E	86.5	Confident	86.6	Confident	117 Å²	117	98.6 Å²	98.6	55%	0.547	52%	0.519	S	S	.	.	H	α-helix	trans	-62.5	-37.7	-178.2	-54.5	-146.8	107.8	0	0	113.2	A610 A612 F616 R617	A610-E614 WeakPolarHBondContact O-CG 3.24Å; A610-E614 PolarHBondContact O-N 2.98Å; A612-E614 VanDerWaalsContact C-N 3.26Å; A612-E614 PolarHBondContact O-N 2.98Å; E614-F616 PolarHBondContact O-N 3.5Å; E614-R617 WeakPolarHBondContact O-CB 3.22Å; E614-R617 PolarHBondContact O-N 2.86Å; E614-R617 VanDerWaalsContact O-N 3.14Å; E614-R617 IonicContact OE1-CZ 2.63Å; E614-R617 IonicContact OE1-NH1 3.84Å; E614-R617 PolarHBondContact OE1-NH1 3.26Å
615	Y	87.8	Confident	87.1	Confident	200 Å²	200	101.9 Å²	101.9	78%	0.784	53%	0.533	S	S	*	.	H	α-helix	trans	-63.9	-24.8	176	-63.5	-83.2	0	0	0	113.1	T611 A612 V613	T611-Y615 WeakPolarHBondContact O-CD2 3.34Å; T611-Y615 WeakPolarHBondContact O-CE2 3.35Å; A612-Y615 PolarHBondContact O-N 3.09Å; V613-Y615 VanDerWaalsContact C-N 3.34Å; V613-Y615 PolarHBondContact O-N 3.35Å
616	F	86.7	Confident	87.4	Confident	138 Å²	138	103.9 Å²	103.9	61%	0.605	54%	0.54	S	S	*	.	H	α-helix	trans	-94.1	-7	177.7	-63.6	-74.5	0	0	0	113.3	A612 V613 E614 E618 S619 A620	A612-F616 VanDerWaalsContact O-CD2 3.27Å; A612-F616 WeakPolarHBondContact O-CD2 3.38Å; V613-F616 PolarHBondContact O-N 2.78Å; V613-F616 VanDerWaalsContact O-N 3.08Å; E614-F616 PolarHBondContact O-N 3.5Å; F616-E618 PolarHBondContact O-N 3.49Å; F616-S619 PolarHBondContact O-N 3.01Å; F616-A620 WeakPolarHBondContact O-CB 3.23Å; F616-A620 PolarHBondContact O-N 3Å
617	R	87.5	Confident	87.4	Confident	132 Å²	132	103.3 Å²	103.3	50%	0.498	53%	0.531	S	S	.	.	H	α-helix	trans	-57.6	-49.2	-173.3	-179.1	179.1	-91.2	129.6	-6.9	112.7	V613 E614 S619 A620 E621	V613-R617 PolarHBondContact O-N 2.85Å; E614-R617 WeakPolarHBondContact O-CB 3.22Å; E614-R617 PolarHBondContact O-N 2.86Å; E614-R617 VanDerWaalsContact O-N 3.14Å; E614-R617 IonicContact OE1-CZ 2.63Å; E614-R617 IonicContact OE1-NH1 3.84Å; E614-R617 PolarHBondContact OE1-NH1 3.26Å; R617-S619 PolarHBondContact O-N 2.97Å; R617-A620 PolarHBondContact O-N 2.8Å; R617-E621 WeakPolarHBondContact O-CG 3.27Å; R617-E621 PolarHBondContact O-N 2.65Å
618	E	89.5	Confident	87.6	Confident	167 Å²	167	100.8 Å²	100.8	78%	0.78	52%	0.518	S	S	*	.	H	α-helix	trans	-63.6	-41.3	179.4	-173.3	-178.5	179.1	0	0	112.1	F616 E621 K622	F616-E618 PolarHBondContact O-N 3.49Å; E618-E621 PolarHBondContact O-N 2.93Å; E618-K622 PolarHBondContact O-N 3.31Å
619	S	87.3	Confident	87.7	Confident	69 Å²	69	100.5 Å²	100.5	48%	0.483	52%	0.522	S	S	.	.	H	α-helix	trans	-64.8	-39.1	175.7	-67	0	0	0	0	112.1	F616 R617 K622 L623	F616-S619 PolarHBondContact O-N 3.01Å; R617-S619 PolarHBondContact O-N 2.97Å; S619-K622 PolarHBondContact O-N 3.02Å; S619-L623 WeakPolarHBondContact O-CG 3.25Å; S619-L623 PolarHBondContact O-N 3.45Å
620	A	86.8	Confident	87.7	Confident	42 Å²	42	102.1 Å²	102.1	35%	0.347	53%	0.53	S	S	.	.	H	α-helix	trans	-67.5	-44.8	176	0	0	0	0	0	111.5	F616 R617 K622 L623 I624	F616-A620 WeakPolarHBondContact O-CB 3.23Å; F616-A620 PolarHBondContact O-N 3Å; R617-A620 PolarHBondContact O-N 2.8Å; A620-K622 VanDerWaalsContact C-N 3.28Å; A620-K622 PolarHBondContact O-N 2.89Å; A620-L623 PolarHBondContact O-N 3.3Å; A620-I624 WeakPolarHBondContact O-CB 3.43Å; A620-I624 WeakPolarHBondContact O-CD1 3.32Å; A620-I624 WeakPolarHBondContact O-CG1 3.32Å; A620-I624 PolarHBondContact O-N 3.48Å
621	E	90.3	Very high	87.8	Confident	94 Å²	94	103.6 Å²	103.6	44%	0.439	53%	0.527	S	S	.	.	H	α-helix	trans	-60.1	-37.3	175.1	-76.6	-177.1	-145.6	0	0	112.6	R617 E618 K625	R617-E621 WeakPolarHBondContact O-CG 3.27Å; R617-E621 PolarHBondContact O-N 2.65Å; E618-E621 PolarHBondContact O-N 2.93Å; E621-K625 WeakPolarHBondContact O-CD 3.38Å; E621-K625 VanDerWaalsContact O-CG 3.27Å; E621-K625 WeakPolarHBondContact O-CG 3.45Å; E621-K625 PolarHBondContact O-N 3.07Å; E621-K625 VanDerWaalsContact O-N 3.12Å; E621-K625 IonicContact OE2-NZ 3.23Å
622	K	90.3	Very high	87.7	Confident	130 Å²	130	99.5 Å²	99.5	57%	0.565	50%	0.504	S	S	*	.	H	α-helix	trans	-65.6	-48.6	173.2	-177	172.9	173.6	176.8	0	111.7	E618 S619 A620 I624 K625 E626	E618-K622 PolarHBondContact O-N 3.31Å; S619-K622 PolarHBondContact O-N 3.02Å; A620-K622 VanDerWaalsContact C-N 3.28Å; A620-K622 PolarHBondContact O-N 2.89Å; K622-I624 VanDerWaalsContact C-N 3.32Å; K622-I624 PolarHBondContact O-N 2.68Å; K622-K625 PolarHBondContact O-N 2.69Å; K622-K625 VanDerWaalsContact O-N 3.14Å; K622-E626 WeakPolarHBondContact CE-OE1 3.49Å; K622-E626 IonicContact NZ-OE1 3.66Å; K622-E626 WeakPolarHBondContact O-CG 3.47Å; K622-E626 PolarHBondContact O-N 3.45Å
623	L	88.5	Confident	87.8	Confident	77 Å²	77	102.6 Å²	102.6	40%	0.403	52%	0.516	S	S	.	.	H	α-helix	trans	-60	-38.9	176.4	-80.5	165.2	0	0	0	112.9	S619 A620 K625 E626 K627 A632	S619-L623 WeakPolarHBondContact O-CG 3.25Å; S619-L623 PolarHBondContact O-N 3.45Å; A620-L623 PolarHBondContact O-N 3.3Å; L623-K625 VanDerWaalsContact C-N 3.35Å; L623-E626 PolarHBondContact O-N 2.92Å; L623-K627 PolarHBondContact O-N 3.06Å; L623-A632 HydrophobicContact CB-CB 4.38Å
624	I	92.5	Very high	87.8	Confident	83 Å²	83	101.5 Å²	101.5	43%	0.426	52%	0.515	S	S	.	.	H	α-helix	trans	-63.5	-40	175.6	-70.5	162.4	0	0	0	111	A620 K622 G628 A629	A620-I624 WeakPolarHBondContact O-CB 3.43Å; A620-I624 WeakPolarHBondContact O-CD1 3.32Å; A620-I624 WeakPolarHBondContact O-CG1 3.32Å; A620-I624 PolarHBondContact O-N 3.48Å; K622-I624 VanDerWaalsContact C-N 3.32Å; K622-I624 PolarHBondContact O-N 2.68Å; I624-G628 VanDerWaalsContact O-CA 3.23Å; I624-G628 WeakPolarHBondContact O-CA 3.2Å; I624-G628 PolarHBondContact O-N 3.07Å; I624-A629 HydrophobicContact CG1-CB 4.2Å; I624-A629 HydrophobicContact CG2-CB 4.04Å
625	K	91.1	Very high	87.7	Confident	163 Å²	163	98.6 Å²	98.6	71%	0.709	51%	0.511	S	S	*	.	H	α-helix	trans	-69.6	-35.5	176.1	-72.4	162.3	-174.5	158	0	112.8	E621 K622 L623	E621-K625 WeakPolarHBondContact O-CD 3.38Å; E621-K625 VanDerWaalsContact O-CG 3.27Å; E621-K625 WeakPolarHBondContact O-CG 3.45Å; E621-K625 PolarHBondContact O-N 3.07Å; E621-K625 VanDerWaalsContact O-N 3.12Å; E621-K625 IonicContact OE2-NZ 3.23Å; K622-K625 PolarHBondContact O-N 2.69Å; K622-K625 VanDerWaalsContact O-N 3.14Å; L623-K625 VanDerWaalsContact C-N 3.35Å
626	E	89.5	Confident	87.5	Confident	120 Å²	120	91.1 Å²	91.1	56%	0.561	49%	0.49	S	S	*	.	H	α-helix	trans	-81.2	-34	-178.1	-73	176.2	-176.6	0	0	114	K622 L623	K622-E626 WeakPolarHBondContact CE-OE1 3.49Å; K622-E626 IonicContact NZ-OE1 3.66Å; K622-E626 WeakPolarHBondContact O-CG 3.47Å; K622-E626 PolarHBondContact O-N 3.45Å; L623-E626 PolarHBondContact O-N 2.92Å
627	K	83.4	Confident	87.3	Confident	128 Å²	128	86.5 Å²	86.5	56%	0.557	47%	0.472	S	S	*	.	H	α-helix	trans	-128.9	-4.4	-169.7	-62.5	-176.2	-178.6	178.7	0	115.2	L623 A632	L623-K627 PolarHBondContact O-N 3.06Å; K627-A632 HydrophobicContact CB-CB 4.46Å
628	G	89.4	Confident	87	Confident	31 Å²	31	82.1 Å²	82.1	32%	0.32	46%	0.464	S	S	.	.			trans	79.3	149.6	-170.8	0	0	0	0	0	112.7	I624 V630 A632	I624-G628 VanDerWaalsContact O-CA 3.23Å; I624-G628 WeakPolarHBondContact O-CA 3.2Å; I624-G628 PolarHBondContact O-N 3.07Å; G628-V630 PolarHBondContact O-N 2.75Å; G628-A632 WeakPolarHBondContact O-CB 3.42Å; G628-A632 PolarHBondContact O-N 3.02Å
629	A	87.4	Confident	86.6	Confident	56 Å²	56	80.9 Å²	80.9	46%	0.463	46%	0.458	S	S	.	.	H	α-helix	trans	-66.4	-38.9	-170.9	0	0	0	0	0	114	I624 L633	I624-A629 HydrophobicContact CG1-CB 4.2Å; I624-A629 HydrophobicContact CG2-CB 4.04Å; A629-L633 VanDerWaalsContact O-CB 3.29Å; A629-L633 WeakPolarHBondContact O-CB 3.36Å; A629-L633 PolarHBondContact O-N 2.73Å; A629-L633 VanDerWaalsContact O-N 3.14Å
630	V	87.2	Confident	86.2	Confident	113 Å²	113	81.6 Å²	81.6	69%	0.685	46%	0.455	S	S	*	.	H	α-helix	trans	-70.4	-48.5	-177.6	-179.5	0	0	0	0	110.6	G628 L633 A634	G628-V630 PolarHBondContact O-N 2.75Å; V630-L633 PolarHBondContact O-N 3.37Å; V630-A634 WeakPolarHBondContact O-CB 3.31Å; V630-A634 PolarHBondContact O-N 2.78Å
631	D	85.8	Confident	85.5	Confident	109 Å²	109	80.2 Å²	80.2	58%	0.583	44%	0.443	S	S	*	.	H	α-helix	trans	-73.1	-34.1	-176.5	-56.9	-61.1	0	0	0	112.4	A634 A635	D631-A634 PolarHBondContact O-N 3.13Å; D631-A635 VanDerWaalsContact O-CB 3.28Å; D631-A635 WeakPolarHBondContact O-CB 3.18Å; D631-A635 PolarHBondContact O-N 2.92Å
632	A	86.2	Confident	84.4	Confident	15 Å²	15	77.5 Å²	77.5	12%	0.124	44%	0.44	C	S	.	.	H	α-helix	trans	-62.1	-44	170.2	0	0	0	0	0	112	L623 K627 G628 A636	L623-A632 HydrophobicContact CB-CB 4.38Å; K627-A632 HydrophobicContact CB-CB 4.46Å; G628-A632 WeakPolarHBondContact O-CB 3.42Å; G628-A632 PolarHBondContact O-N 3.02Å; A632-A636 WeakPolarHBondContact O-CB 3.5Å; A632-A636 PolarHBondContact O-N 3.16Å
633	L	86.7	Confident	83.2	Confident	95 Å²	95	72.6 Å²	72.6	50%	0.497	42%	0.424	S	S	.	.	H	α-helix	trans	-69.4	-39.3	177.2	-177.8	60.7	0	0	0	112	L605 A629 V630 A636 L637	L605-L633 HydrophobicContact CD1-CD1 4.4Å; A629-L633 VanDerWaalsContact O-CB 3.29Å; A629-L633 WeakPolarHBondContact O-CB 3.36Å; A629-L633 PolarHBondContact O-N 2.73Å; A629-L633 VanDerWaalsContact O-N 3.14Å; V630-L633 PolarHBondContact O-N 3.37Å; L633-A636 PolarHBondContact O-N 3.06Å; L633-L637 HydrophobicContact CD1-CD1 4.41Å; L633-L637 HydrophobicContact CD1-CG 4.39Å; L633-L637 HydrophobicContact CG-CD1 4.13Å; L633-L637 WeakPolarHBondContact O-CB 3.36Å; L633-L637 WeakPolarHBondContact O-CG 3.47Å; L633-L637 PolarHBondContact O-N 2.91Å
634	A	84.4	Confident	81.6	Confident	52 Å²	52	74 Å²	74	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-63.5	-42.8	175.5	0	0	0	0	0	111.7	V630 D631 L637 A638	V630-A634 WeakPolarHBondContact O-CB 3.31Å; V630-A634 PolarHBondContact O-N 2.78Å; D631-A634 PolarHBondContact O-N 3.13Å; A634-L637 PolarHBondContact O-N 3.37Å; A634-A638 VanDerWaalsContact O-CB 3.3Å; A634-A638 WeakPolarHBondContact O-CB 3.05Å; A634-A638 PolarHBondContact O-N 3.02Å
635	A	83.4	Confident	79.9	Confident	57 Å²	57	75 Å²	75	47%	0.471	45%	0.451	S	S	.	.	H	α-helix	trans	-64.5	-41	174.3	0	0	0	0	0	112.2	D631 A638 H639	D631-A635 VanDerWaalsContact O-CB 3.28Å; D631-A635 WeakPolarHBondContact O-CB 3.18Å; D631-A635 PolarHBondContact O-N 2.92Å; A635-A638 PolarHBondContact O-N 3.28Å; A635-H639 WeakPolarHBondContact O-CB 3.3Å; A635-H639 PolarHBondContact O-N 2.87Å
636	A	84.1	Confident	78.3	Confident	43 Å²	43	70.2 Å²	70.2	36%	0.355	43%	0.432	S	S	.	.	H	α-helix	trans	-63.1	-47	175	0	0	0	0	0	111.7	A632 L633 H639 I640	A632-A636 WeakPolarHBondContact O-CB 3.5Å; A632-A636 PolarHBondContact O-N 3.16Å; L633-A636 PolarHBondContact O-N 3.06Å; A636-H639 PolarHBondContact O-N 3.34Å; A636-I640 WeakPolarHBondContact O-CB 3.35Å; A636-I640 VanDerWaalsContact O-CG1 3.26Å; A636-I640 WeakPolarHBondContact O-CG1 3.41Å; A636-I640 PolarHBondContact O-N 3.01Å
637	L	82.8	Confident	77	Confident	40 Å²	40	71.1 Å²	71.1	21%	0.209	44%	0.436	C	S	.	.	H	α-helix	trans	-61.3	-43.5	175.4	-75	168.8	0	0	0	111.9	A601 L605 L633 A634 H639 I640 S641	A601-L637 HydrophobicContact CB-CD2 3.8Å; L605-L637 HydrophobicContact CD1-CD2 3.79Å; L633-L637 HydrophobicContact CD1-CD1 4.41Å; L633-L637 HydrophobicContact CD1-CG 4.39Å; L633-L637 HydrophobicContact CG-CD1 4.13Å; L633-L637 WeakPolarHBondContact O-CB 3.36Å; L633-L637 WeakPolarHBondContact O-CG 3.47Å; L633-L637 PolarHBondContact O-N 2.91Å; A634-L637 PolarHBondContact O-N 3.37Å; L637-H639 VanDerWaalsContact C-N 3.3Å; L637-H639 PolarHBondContact O-N 2.94Å; L637-I640 PolarHBondContact O-N 3.42Å; L637-S641 WeakPolarHBondContact O-CB 3.42Å; L637-S641 PolarHBondContact O-N 2.88Å; L637-S641 PolarHBondContact O-OG 2.7Å
638	A	80.4	Confident	76.2	Confident	40 Å²	40	69.5 Å²	69.5	33%	0.331	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-35.5	175.8	0	0	0	0	0	112.8	A634 A635 S641 G642 A643	A634-A638 VanDerWaalsContact O-CB 3.3Å; A634-A638 WeakPolarHBondContact O-CB 3.05Å; A634-A638 PolarHBondContact O-N 3.02Å; A635-A638 PolarHBondContact O-N 3.28Å; A638-S641 WeakPolarHBondContact CA-OG 3.28Å; A638-S641 PolarHBondContact O-OG 3.42Å; A638-G642 PolarHBondContact O-N 2.93Å; A638-A643 PolarHBondContact O-N 3.49Å
639	H	80.8	Confident	75.7	Confident	141 Å²	141	70.1 Å²	70.1	65%	0.653	42%	0.424	S	S	*	.	H	α-helix	trans	-72.7	-48.4	175.1	-171.5	44.8	0	0	0	112.3	A635 A636 L637 S641 G642	A635-H639 WeakPolarHBondContact O-CB 3.3Å; A635-H639 PolarHBondContact O-N 2.87Å; A636-H639 PolarHBondContact O-N 3.34Å; L637-H639 VanDerWaalsContact C-N 3.3Å; L637-H639 PolarHBondContact O-N 2.94Å; H639-S641 VanDerWaalsContact C-N 3.32Å; H639-S641 PolarHBondContact O-N 2.97Å; H639-G642 PolarHBondContact O-N 3.44Å
640	I	79.6	Confident	75.3	Confident	85 Å²	85	67.5 Å²	67.5	44%	0.436	40%	0.401	S	S	.	.	H	α-helix	trans	-59.9	-41.6	177.3	-67.9	163.9	0	0	0	111.1	A601 L605 A636 L637 G642	A601-I640 HydrophobicContact CB-CB 4.27Å; A601-I640 HydrophobicContact CB-CG2 3.76Å; L605-I640 HydrophobicContact CD2-CD1 4.12Å; A636-I640 WeakPolarHBondContact O-CB 3.35Å; A636-I640 VanDerWaalsContact O-CG1 3.26Å; A636-I640 WeakPolarHBondContact O-CG1 3.41Å; A636-I640 PolarHBondContact O-N 3.01Å; L637-I640 PolarHBondContact O-N 3.42Å; I640-G642 PolarHBondContact O-N 3.04Å
641	S	70.7	Confident	74.8	Confident	12 Å²	12	62.7 Å²	62.7	8%	0.084	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-1.5	176.6	61.4	0	0	0	0	114.5	S597 L637 A638 H639 A643	S597-S641 WeakPolarHBondContact OG-CA 3.49Å; S597-S641 VanDerWaalsContact OG-CB 3.26Å; S597-S641 WeakPolarHBondContact OG-CB 3.43Å; S597-S641 PolarHBondContact OG-O 3.02Å; L637-S641 WeakPolarHBondContact O-CB 3.42Å; L637-S641 PolarHBondContact O-N 2.88Å; L637-S641 PolarHBondContact O-OG 2.7Å; A638-S641 WeakPolarHBondContact CA-OG 3.28Å; A638-S641 PolarHBondContact O-OG 3.42Å; H639-S641 VanDerWaalsContact C-N 3.32Å; H639-S641 PolarHBondContact O-N 2.97Å; S641-A643 PolarHBondContact O-N 3.37Å
642	G	69	Low	74.4	Confident	37 Å²	37	58.7 Å²	58.7	38%	0.381	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	24.7	179.7	0	0	0	0	0	114.2	A638 H639 I640 T644	A638-G642 PolarHBondContact O-N 2.93Å; H639-G642 PolarHBondContact O-N 3.44Å; I640-G642 PolarHBondContact O-N 3.04Å; G642-T644 PolarHBondContact O-N 3.48Å
643	A	63.5	Low	73.8	Confident	27 Å²	27	58.5 Å²	58.5	22%	0.223	35%	0.347	C	S	.	.			trans	-87.2	22.5	-173.4	0	0	0	0	0	113.7	I594 A638 S641 S645 L646	I594-A643 HydrophobicContact CG1-CB 4.22Å; A638-A643 PolarHBondContact O-N 3.49Å; S641-A643 PolarHBondContact O-N 3.37Å; A643-S645 VanDerWaalsContact C-N 3.32Å; A643-S645 PolarHBondContact O-N 2.79Å; A643-L646 HydrophobicContact CB-CD1 4.26Å
644	T	56.4	Low	73.3	Confident	108 Å²	108	54 Å²	54	66%	0.663	32%	0.324	S	S	*	.	S	Bend	trans	-71.9	-20.4	-174.3	50.2	0	0	0	0	114.3	G642	G642-T644 PolarHBondContact O-N 3.48Å
645	S	55.5	Low	73	Confident	104 Å²	104	52.8 Å²	52.8	73%	0.727	31%	0.31	S	S	*	.			trans	-158.4	123.4	173.3	57	0	0	0	0	110.1	A643	A643-S645 VanDerWaalsContact C-N 3.32Å; A643-S645 PolarHBondContact O-N 2.79Å
646	L	58.3	Low	72.6	Confident	62 Å²	62	51.9 Å²	51.9	33%	0.325	30%	0.303	S	S	.	.			trans	-128.4	121.7	-179	-79.2	152	0	0	0	110.5	A590 I593 I594 A643	A590-L646 HydrophobicContact CB-CB 4Å; I593-L646 HydrophobicContact CB-CD2 4.42Å; I593-L646 HydrophobicContact CG2-CD2 4.05Å; I594-L646 HydrophobicContact CD1-CD1 3.58Å; I594-L646 HydrophobicContact CG1-CD1 3.34Å; A643-L646 HydrophobicContact CB-CD1 4.26Å
647	E	63	Low	72.2	Confident	138 Å²	138	51.6 Å²	51.6	65%	0.645	30%	0.304	S	S	*	.			trans	-78	128.8	175.2	-62.3	179.9	160.1	0	0	110.5
648	Q	66.7	Low	72.2	Confident	94 Å²	94	52.8 Å²	52.8	44%	0.439	31%	0.306	S	S	.	.			trans	-70.2	143	168.6	-66.2	-175.1	-14.5	0	0	110.3	G657 Y658 T659 A709	Q648-G657 PolarHBondContact O-N 2.91Å; Q648-Y658 CarbonylContact C-O 3.38Å; Q648-T659 PolarHBondContact OE1-OG1 3.24Å; Q648-A709 HydrophobicContact CB-CB 4.19Å
649	R	77	Confident	72.1	Confident	45 Å²	45	51.4 Å²	51.4	17%	0.17	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-134.9	150.5	177.9	-48.7	-151.4	-167.3	117.5	17.3	112	D451 D655 A656 Y658	D451-R649 IonicContact OD2-CZ 2.87Å; D451-R649 IonicContact OD2-NH1 2.78Å; D451-R649 PolarHBondContact OD2-NH1 3.12Å; D451-R649 IonicContact OD2-NH2 3.96Å; D451-R649 PolarHBondContact OD2-NH2 2.93Å; R649-D655 CarbonylContact C-O 3.58Å; R649-D655 VanDerWaalsContact CA-O 3.28Å; R649-D655 WeakPolarHBondContact CA-O 3.45Å; R649-A656 HydrophobicContact CG-CB 4.15Å; R649-Y658 CarbonylContact C-O 3.54Å; R649-Y658 WeakPolarHBondContact CA-O 3.48Å; R649-Y658 PolarHBondContact N-O 3.41Å
650	S	79.2	Confident	72.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.263	C	S	.	.			trans	-63.7	134.3	176.1	163.5	0	0	0	0	112.2	L652 N653 S654 D655 Y658 T660 D706	S650-L652 VanDerWaalsContact C-N 3.34Å; S650-L652 PolarHBondContact OG-N 2.68Å; S650-N653 WeakPolarHBondContact CB-OD1 3.42Å; S650-N653 VanDerWaalsContact OG-CG 3.32Å; S650-N653 PolarHBondContact OG-N 2.73Å; S650-N653 PolarHBondContact OG-OD1 3.08Å; S650-N653 VanDerWaalsContact OG-OD1 3.1Å; S650-S654 WeakPolarHBondContact O-CA 3.46Å; S650-S654 PolarHBondContact O-N 2.86Å; S650-D655 PolarHBondContact N-O 2.76Å; S650-Y658 PolarHBondContact N-O 3.09Å; S650-T660 PolarHBondContact OG-OG1 3.01Å; S650-D706 VanDerWaalsContact CB-OD1 3.28Å; S650-D706 WeakPolarHBondContact CB-OD1 3.48Å; S650-D706 PolarHBondContact OG-OD1 3.09Å; S650-D706 PolarHBondContact OG-OD2 3.02Å; S650-D706 VanDerWaalsContact OG-OD2 3.09Å
651	L	78.1	Confident	72.5	Confident	12 Å²	12	40.8 Å²	40.8	6%	0.063	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-24.1	171	-61.3	178.4	0	0	0	112.4	G586 V587 T589 T660 A730 L733	G586-L651 WeakPolarHBondContact CA-O 3.38Å; V587-L651 WeakPolarHBondContact O-CD2 3.49Å; T589-L651 HydrophobicContact CG2-CD2 4.22Å; L651-T660 PolarHBondContact N-OG1 2.99Å; L651-A730 HydrophobicContact CD1-CB 3.92Å; L651-A730 VanDerWaalsContact CD1-O 3.31Å; L651-A730 WeakPolarHBondContact CD1-O 3.46Å; L651-L733 HydrophobicContact CB-CD1 4.38Å
652	L	76	Confident	73.3	Confident	26 Å²	26	41.7 Å²	41.7	14%	0.136	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-27	-178.1	-56.6	-174	0	0	0	113.4	S650 T660 C704 D706 L733 L736	S650-L652 VanDerWaalsContact C-N 3.34Å; S650-L652 PolarHBondContact OG-N 2.68Å; L652-T660 HydrophobicContact CD1-CG2 4.11Å; L652-T660 HydrophobicContact CD2-CG2 3.86Å; L652-T660 HydrophobicContact CG-CG2 3.66Å; L652-C704 HydrophobicContact CD2-CB 4.34Å; L652-D706 WeakPolarHBondContact CG-OD1 3.04Å; L652-L733 HydrophobicContact CD2-CD1 3.7Å; L652-L736 HydrophobicContact CD2-CD1 4.19Å
653	N	73.3	Confident	74	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.053	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153.7	-4.7	-165	68.3	32.9	0	0	0	116.8	A439 C440 H441 S650 D655 R693 D706	A439-N653 CarbonylContact O-C 3.49Å; A439-N653 WeakPolarHBondContact O-CA 3.35Å; C440-N653 WeakPolarHBondContact CA-O 3.37Å; H441-N653 PolarHBondContact N-O 2.84Å; S650-N653 WeakPolarHBondContact CB-OD1 3.42Å; S650-N653 VanDerWaalsContact OG-CG 3.32Å; S650-N653 PolarHBondContact OG-N 2.73Å; S650-N653 PolarHBondContact OG-OD1 3.08Å; S650-N653 VanDerWaalsContact OG-OD1 3.1Å; N653-D655 VanDerWaalsContact CG-OD2 3.23Å; N653-D655 PolarHBondContact ND2-OD2 3.27Å; N653-D655 WeakPolarHBondContact OD1-CA 3.24Å; N653-D655 WeakPolarHBondContact OD1-CB 3.3Å; N653-D655 PolarHBondContact OD1-N 2.8Å; N653-D655 PolarHBondContact OD1-OD2 3.05Å; N653-D655 VanDerWaalsContact OD1-OD2 3.12Å; N653-R693 WeakPolarHBondContact ND2-CD 3.37Å; N653-R693 PolarHBondContact ND2-NE 2.67Å; N653-R693 PolarHBondContact ND2-NH1 2.77Å; N653-D706 PolarHBondContact ND2-OD2 2.81Å
654	S	78.1	Confident	75	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.			trans	75.1	6.1	-174.6	-45.9	0	0	0	0	118.8	A439 C440 Q444 V587 S650 A656	A439-S654 PolarHBondContact O-OG 2.78Å; C440-S654 WeakPolarHBondContact CA-OG 3.29Å; C440-S654 WeakPolarHBondContact CB-OG 3.5Å; C440-S654 PolarHBondContact SG-OG 2.97Å; Q444-S654 PolarHBondContact OE1-O 3.38Å; V587-S654 WeakPolarHBondContact CG2-OG 3.2Å; S650-S654 WeakPolarHBondContact O-CA 3.46Å; S650-S654 PolarHBondContact O-N 2.86Å; S654-A656 PolarHBondContact O-N 2.59Å
655	D	77.4	Confident	76.2	Confident	27 Å²	27	37.9 Å²	37.9	14%	0.144	21%	0.207	C	C	.	.			trans	-63.8	123.2	-178.5	-72.4	-35.8	0	0	0	111.3	Q444 R649 S650 N653 Y658 R693	Q444-D655 PolarHBondContact NE2-OD1 2.69Å; Q444-D655 PolarHBondContact OE1-OD1 3.48Å; R649-D655 CarbonylContact C-O 3.58Å; R649-D655 VanDerWaalsContact CA-O 3.28Å; R649-D655 WeakPolarHBondContact CA-O 3.45Å; S650-D655 PolarHBondContact N-O 2.76Å; N653-D655 VanDerWaalsContact CG-OD2 3.23Å; N653-D655 PolarHBondContact ND2-OD2 3.27Å; N653-D655 WeakPolarHBondContact OD1-CA 3.24Å; N653-D655 WeakPolarHBondContact OD1-CB 3.3Å; N653-D655 PolarHBondContact OD1-N 2.8Å; N653-D655 PolarHBondContact OD1-OD2 3.05Å; N653-D655 VanDerWaalsContact OD1-OD2 3.12Å; D655-Y658 HydrophobicContact CB-CD2 3.91Å; D655-Y658 HydrophobicContact CB-CG 4.45Å; D655-R693 IonicContact OD1-NH2 3.52Å; D655-R693 IonicContact OD2-CZ 3.75Å; D655-R693 IonicContact OD2-NE 2.66Å; D655-R693 IonicContact OD2-NH2 3.94Å; D655-R693 PolarHBondContact OD2-NH2 2.74Å
656	A	75.1	Confident	77.4	Confident	39 Å²	39	36.9 Å²	36.9	32%	0.322	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-77.1	145	179	0	0	0	0	0	111.9	R649 S654 Y658	R649-A656 HydrophobicContact CG-CB 4.15Å; S654-A656 PolarHBondContact O-N 2.59Å; A656-Y658 VanDerWaalsContact C-N 3.28Å; A656-Y658 WeakPolarHBondContact O-CD2 3.13Å
657	G	76.2	Confident	78.4	Confident	36 Å²	36	39 Å²	39	37%	0.371	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	8.1	-172.6	0	0	0	0	0	113.9	Q648 P708 A709	Q648-G657 PolarHBondContact O-N 2.91Å; G657-P708 WeakPolarHBondContact O-CA 3.39Å; G657-A709 WeakPolarHBondContact O-CB 3.3Å; G657-A709 PolarHBondContact O-N 2.88Å
658	Y	81.1	Confident	79.2	Confident	66 Å²	66	37.6 Å²	37.6	26%	0.259	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	152.7	175.9	-69.2	-97	0	0	0	110.9	Q648 R649 S650 D655 A656 H692 D706 V707 P708	Q648-Y658 CarbonylContact C-O 3.38Å; R649-Y658 CarbonylContact C-O 3.54Å; R649-Y658 WeakPolarHBondContact CA-O 3.48Å; R649-Y658 PolarHBondContact N-O 3.41Å; S650-Y658 PolarHBondContact N-O 3.09Å; D655-Y658 HydrophobicContact CB-CD2 3.91Å; D655-Y658 HydrophobicContact CB-CG 4.45Å; A656-Y658 VanDerWaalsContact C-N 3.28Å; A656-Y658 WeakPolarHBondContact O-CD2 3.13Å; Y658-H692 AromaticContact CE1-CD2 3.69Å; Y658-D706 HydrophobicContact CD1-CB 4.41Å; Y658-V707 CarbonylContact C-O 3.52Å; Y658-V707 VanDerWaalsContact CA-O 3.24Å; Y658-V707 WeakPolarHBondContact CA-O 3.26Å; Y658-P708 HydrophobicContact CD1-CG 4.28Å; Y658-P708 HydrophobicContact CE1-CG 3.77Å
659	T	80.3	Confident	79.8	Confident	11 Å²	11	33.4 Å²	33.4	7%	0.067	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.2	174.9	-71.1	0	0	0	0	108.8	Q648 V707 V712 V729	Q648-T659 PolarHBondContact OE1-OG1 3.24Å; T659-V707 PolarHBondContact N-O 3.1Å; T659-V707 PolarHBondContact O-N 3.28Å; T659-V712 HydrophobicContact CG2-CG2 4.03Å; T659-V729 HydrophobicContact CG2-CG1 3.69Å
660	T	84.4	Confident	79.7	Confident	2 Å²	2	38 Å²	38	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.5	178.7	-56.3	0	0	0	0	110.1	S650 L651 L652 C704 F705 D706 A730	S650-T660 PolarHBondContact OG-OG1 3.01Å; L651-T660 PolarHBondContact N-OG1 2.99Å; L652-T660 HydrophobicContact CD1-CG2 4.11Å; L652-T660 HydrophobicContact CD2-CG2 3.86Å; L652-T660 HydrophobicContact CG-CG2 3.66Å; T660-C704 HydrophobicContact CG2-CB 4.41Å; T660-F705 CarbonylContact C-O 3.59Å; T660-F705 WeakPolarHBondContact CA-O 3.28Å; T660-D706 PolarHBondContact OG1-OD1 3.24Å; T660-A730 HydrophobicContact CG2-CB 4.33Å; T660-A730 WeakPolarHBondContact O-CB 3.49Å; T660-A730 PolarHBondContact O-N 3.09Å
661	M	83.4	Confident	79.8	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	151.1	173.8	-57.1	-171.6	80.7	0	0	110.4	C704 F705 V707 I715 Q716 L727 T728 V729	M661-C704 CarbonylContact O-C 3.6Å; M661-C704 VanDerWaalsContact O-CA 3.28Å; M661-C704 WeakPolarHBondContact O-CA 3.39Å; M661-F705 HydrophobicContact CB-CD2 4.44Å; M661-F705 HydrophobicContact CB-CE2 4Å; M661-F705 HydrophobicContact CB-CZ 4.15Å; M661-F705 PolarHBondContact N-O 3.26Å; M661-F705 PolarHBondContact O-N 2.77Å; M661-F705 HydrophobicContact SD-CE2 4.47Å; M661-V707 HydrophobicContact CG-CG2 4.23Å; M661-V707 HydrophobicContact SD-CB 4.49Å; M661-V707 HydrophobicContact SD-CG2 3.96Å; M661-I715 HydrophobicContact CE-CB 4.47Å; M661-I715 HydrophobicContact CE-CG2 3.97Å; M661-I715 HydrophobicContact SD-CD1 3.93Å; M661-I715 HydrophobicContact SD-CG2 4.21Å; M661-Q716 HydrophobicContact CE-CG 4.35Å; M661-L727 HydrophobicContact CB-CD1 4.2Å; M661-L727 HydrophobicContact CE-CD1 4.23Å; M661-L727 HydrophobicContact CE-CD2 3.82Å; M661-L727 HydrophobicContact CE-CG 3.9Å; M661-T728 WeakPolarHBondContact CA-O 3.43Å; M661-V729 HydrophobicContact CE-CG2 4.18Å
662	Q	86.6	Confident	79.9	Confident	30 Å²	30	44.3 Å²	44.3	14%	0.14	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.9	178.9	180	178.2	-3.6	0	0	109.6	Q664 L697 T728 P734	Q662-Q664 HydrophobicContact CG-CG 4.09Å; Q662-Q664 VanDerWaalsContact NE2-NE2 3.14Å; Q662-L697 HydrophobicContact CG-CD1 3.98Å; Q662-L697 HydrophobicContact CG-CD2 4.21Å; Q662-L697 VanDerWaalsContact NE2-CD1 3.31Å; Q662-T728 PolarHBondContact N-O 2.99Å; Q662-T728 PolarHBondContact O-N 3.3Å; Q662-P734 HydrophobicContact CB-CG 4.5Å; Q662-P734 HydrophobicContact CG-CG 4.41Å
663	L	85.1	Confident	80.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	101.3	175	174.8	60.2	0	0	0	108.5	A675 I679 G702 V703 F705 W719 W725 Q726 L727	L663-A675 HydrophobicContact CD2-CB 4.09Å; L663-I679 HydrophobicContact CD2-CD1 3.93Å; L663-I679 HydrophobicContact CD2-CG1 3.98Å; L663-G702 CarbonylContact O-C 3.59Å; L663-G702 WeakPolarHBondContact O-CA 3.3Å; L663-V703 HydrophobicContact CB-CG2 3.91Å; L663-V703 HydrophobicContact CD2-CG2 4.24Å; L663-V703 HydrophobicContact CG-CG2 4.43Å; L663-V703 PolarHBondContact N-O 2.85Å; L663-V703 PolarHBondContact O-N 3.37Å; L663-F705 HydrophobicContact CB-CE1 4Å; L663-W719 HydrophobicContact CD1-CH2 3.58Å; L663-W719 HydrophobicContact CD1-CZ2 3.42Å; L663-W719 VanDerWaalsContact CD1-CZ2 3.42Å; L663-W719 HydrophobicContact CD2-CH2 4.22Å; L663-W725 HydrophobicContact CD1-CB 4.16Å; L663-W725 HydrophobicContact CD1-CD2 4.39Å; L663-W725 HydrophobicContact CD1-CE3 3.72Å; L663-W725 HydrophobicContact CD1-CZ3 4.42Å; L663-W725 HydrophobicContact CD2-CE3 4Å; L663-W725 HydrophobicContact CD2-CZ3 3.94Å; L663-W725 HydrophobicContact CG-CE3 3.65Å; L663-W725 HydrophobicContact CG-CZ3 3.85Å; L663-Q726 CarbonylContact C-O 3.59Å; L663-Q726 WeakPolarHBondContact CA-O 3.38Å; L663-L727 HydrophobicContact CB-CD1 4Å; L663-L727 HydrophobicContact CD1-CB 4.37Å; L663-L727 HydrophobicContact CD1-CD1 4.45Å
664	Q	83.7	Confident	80.5	Confident	80 Å²	80	50.5 Å²	50.5	37%	0.374	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	144.4	176.5	-62.5	-167.4	12.3	0	0	111.1	Q662 L697 W725 Q726	Q662-Q664 HydrophobicContact CG-CG 4.09Å; Q662-Q664 VanDerWaalsContact NE2-NE2 3.14Å; Q664-L697 HydrophobicContact CG-CD1 4.33Å; Q664-W725 WeakPolarHBondContact O-CA 3.3Å; Q664-Q726 PolarHBondContact N-O 3.15Å; Q664-Q726 PolarHBondContact O-N 3.15Å
665	C	82.6	Confident	80.6	Confident	13 Å²	13	50.5 Å²	50.5	9%	0.088	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.3	176.6	-174.6	0	0	0	0	109.9	Q667 M669 T701 R724 W725	C665-Q667 PolarHBondContact O-N 2.66Å; C665-Q667 VanDerWaalsContact O-N 3.09Å; C665-Q667 PolarHBondContact SG-O 3.12Å; C665-M669 HydrophobicContact CB-CG 4.05Å; C665-M669 HydrophobicContact CB-SD 3.91Å; C665-T701 PolarHBondContact N-O 3.23Å; C665-R724 CarbonylContact C-O 3.49Å; C665-R724 VanDerWaalsContact CA-O 3.3Å; C665-R724 WeakPolarHBondContact CA-O 3.48Å; C665-W725 HydrophobicContact CB-CE3 3.79Å; C665-W725 HydrophobicContact CB-CH2 4.19Å; C665-W725 HydrophobicContact CB-CZ3 3.58Å
666	S	80.8	Confident	80.9	Confident	82 Å²	82	52.4 Å²	52.4	57%	0.573	28%	0.276	S	S	*	.	S	Bend	trans	-74	6.8	177.2	65.2	0	0	0	0	114.6	R723 R724	S666-R723 PolarHBondContact OG-O 3.49Å; S666-R724 PolarHBondContact N-O 2.84Å; S666-R724 WeakPolarHBondContact OG-CA 3.43Å
667	Q	79.2	Confident	81.2	Confident	107 Å²	107	57.6 Å²	57.6	50%	0.5	29%	0.287	S	S	.	.	S	Bend	trans	-141.9	151.7	178.9	-56.2	-171.7	-71.1	0	0	110.2	C665 M669	C665-Q667 PolarHBondContact O-N 2.66Å; C665-Q667 VanDerWaalsContact O-N 3.09Å; C665-Q667 PolarHBondContact SG-O 3.12Å; Q667-M669 PolarHBondContact O-N 2.94Å
668	E	79.4	Confident	81.4	Confident	109 Å²	109	56.3 Å²	56.3	51%	0.509	27%	0.272	S	S	.	.			trans	-64	131.2	177.3	-164.9	-161.3	136.7	0	0	111.5	H670 K700	E668-H670 IonicContact OE1-CE1 3.38Å; E668-H670 PolarHBondContact OE1-CE1 3.39Å; E668-H670 IonicContact OE1-ND1 2.84Å; E668-H670 PolarHBondContact OE1-ND1 3.02Å; E668-H670 VanDerWaalsContact OE1-ND1 3.11Å; E668-H670 IonicContact OE2-CE1 3.99Å; E668-K700 HydrophobicContact CG-CB 3.81Å
669	M	79.1	Confident	81.5	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.025	26%	0.26	C	S	.	.			trans	-99	109.4	178.7	-63.8	172.2	56.1	0	0	112.3	C665 Q667 N671 A675 F696 K700 V703 W725	C665-M669 HydrophobicContact CB-CG 4.05Å; C665-M669 HydrophobicContact CB-SD 3.91Å; Q667-M669 PolarHBondContact O-N 2.94Å; M669-N671 VanDerWaalsContact C-N 3.26Å; M669-N671 PolarHBondContact O-N 2.81Å; M669-A675 HydrophobicContact CE-CB 3.64Å; M669-F696 HydrophobicContact CB-CE1 3.88Å; M669-F696 HydrophobicContact CE-CE1 4.11Å; M669-F696 WeakPolarHBondContact O-CE1 3.33Å; M669-K700 WeakPolarHBondContact CB-O 3.25Å; M669-K700 PolarHBondContact N-O 3.09Å; M669-K700 WeakPolarHBondContact O-CB 3.47Å; M669-K700 WeakPolarHBondContact O-CD 3.22Å; M669-V703 HydrophobicContact CE-CG1 3.86Å; M669-V703 HydrophobicContact SD-CG1 4.37Å; M669-W725 HydrophobicContact CE-CH2 3.87Å; M669-W725 HydrophobicContact CE-CZ3 4.38Å; M669-W725 HydrophobicContact CG-CH2 4.36Å; M669-W725 HydrophobicContact SD-CH2 3.61Å; M669-W725 HydrophobicContact SD-CZ3 3.72Å
670	H	75.5	Confident	81.6	Confident	141 Å²	141	56.7 Å²	56.7	65%	0.653	27%	0.274	S	S	*	.	S	Bend	trans	-75.5	-8.2	176.1	-54.5	-38.2	0	0	0	114.6	E668	E668-H670 IonicContact OE1-CE1 3.38Å; E668-H670 PolarHBondContact OE1-CE1 3.39Å; E668-H670 IonicContact OE1-ND1 2.84Å; E668-H670 PolarHBondContact OE1-ND1 3.02Å; E668-H670 VanDerWaalsContact OE1-ND1 3.11Å; E668-H670 IonicContact OE2-CE1 3.99Å
671	N	80.3	Confident	81.5	Confident	95 Å²	95	62.2 Å²	62.2	51%	0.508	30%	0.3	S	S	.	.			trans	-151.9	140.1	179.3	-170.3	-11.6	0	0	0	111.9	M669 G673 Y674	M669-N671 VanDerWaalsContact C-N 3.26Å; M669-N671 PolarHBondContact O-N 2.81Å; N671-G673 PolarHBondContact O-N 2.98Å; N671-G673 PolarHBondContact OD1-N 2.81Å; N671-Y674 HydrophobicContact CB-CD2 4.15Å; N671-Y674 HydrophobicContact CB-CE2 4.3Å; N671-Y674 WeakPolarHBondContact O-CD2 3.46Å; N671-Y674 PolarHBondContact O-N 3.47Å
672	L	80.3	Confident	81.3	Confident	51 Å²	51	65.5 Å²	65.5	27%	0.267	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.3	171.8	-72.7	160.5	0	0	0	112.4	Y674 A675 W676 M694 F696 V703	L672-Y674 PolarHBondContact O-N 3.35Å; L672-Y674 VanDerWaalsContact O-N 3.09Å; L672-A675 PolarHBondContact O-N 2.83Å; L672-W676 PolarHBondContact O-N 2.81Å; L672-W676 VanDerWaalsContact O-N 3.15Å; L672-M694 HydrophobicContact CD2-CG 3.96Å; L672-M694 HydrophobicContact CD2-SD 4Å; L672-F696 HydrophobicContact CD2-CD1 4.24Å; L672-F696 HydrophobicContact CD2-CD2 4.39Å; L672-F696 HydrophobicContact CD2-CE1 4.22Å; L672-F696 HydrophobicContact CD2-CE2 4.37Å; L672-F696 HydrophobicContact CD2-CG 4.34Å; L672-F696 HydrophobicContact CD2-CZ 4.3Å; L672-F696 HydrophobicContact CG-CD2 4.34Å; L672-F696 HydrophobicContact CG-CE1 4.28Å; L672-F696 HydrophobicContact CG-CE2 3.9Å; L672-F696 HydrophobicContact CG-CZ 3.89Å; L672-V703 HydrophobicContact CD2-CG1 3.72Å
673	G	79.5	Confident	80.9	Confident	34 Å²	34	65.6 Å²	65.6	35%	0.351	32%	0.317	S	S	.	.	H	α-helix	trans	-54.5	-25.5	176.3	0	0	0	0	0	114.7	N671 R677	N671-G673 PolarHBondContact O-N 2.98Å; N671-G673 PolarHBondContact OD1-N 2.81Å; G673-R677 WeakPolarHBondContact O-CB 3.11Å; G673-R677 PolarHBondContact O-N 2.98Å
674	Y	81.8	Confident	80.6	Confident	132 Å²	132	67.2 Å²	67.2	52%	0.518	33%	0.333	S	S	.	.	H	α-helix	trans	-69.9	-37.9	174.2	-71.7	-76.8	0	0	0	112.8	N671 L672 T678	N671-Y674 HydrophobicContact CB-CD2 4.15Å; N671-Y674 HydrophobicContact CB-CE2 4.3Å; N671-Y674 WeakPolarHBondContact O-CD2 3.46Å; N671-Y674 PolarHBondContact O-N 3.47Å; L672-Y674 PolarHBondContact O-N 3.35Å; L672-Y674 VanDerWaalsContact O-N 3.09Å; Y674-T678 PolarHBondContact O-N 2.88Å; Y674-T678 PolarHBondContact O-OG1 3.08Å
675	A	81.2	Confident	80	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-69.8	-48.2	173.6	0	0	0	0	0	110.8	L663 M669 L672 R677 T678 I679 M694 V703 W725	L663-A675 HydrophobicContact CD2-CB 4.09Å; M669-A675 HydrophobicContact CE-CB 3.64Å; L672-A675 PolarHBondContact O-N 2.83Å; A675-R677 VanDerWaalsContact C-N 3.29Å; A675-R677 PolarHBondContact O-N 2.92Å; A675-T678 PolarHBondContact O-N 3.24Å; A675-T678 VanDerWaalsContact O-N 3.15Å; A675-I679 HydrophobicContact CB-CD1 4.42Å; A675-I679 WeakPolarHBondContact O-CB 3.44Å; A675-I679 WeakPolarHBondContact O-CG1 3.15Å; A675-I679 PolarHBondContact O-N 3.29Å; A675-M694 HydrophobicContact CB-CE 4.43Å; A675-M694 HydrophobicContact CB-SD 3.89Å; A675-V703 HydrophobicContact CB-CB 4.49Å; A675-V703 HydrophobicContact CB-CG1 4.01Å; A675-V703 HydrophobicContact CB-CG2 3.61Å; A675-W725 HydrophobicContact CB-CH2 4.3Å
676	W	82.5	Confident	79.3	Confident	67 Å²	67	75.2 Å²	75.2	25%	0.254	37%	0.374	S	S	.	.	H	α-helix	trans	-54	-44.7	176.5	-76.3	117.1	0	0	0	112.4	L672 T678 I679 K680 E688 I691 M694	L672-W676 PolarHBondContact O-N 2.81Å; L672-W676 VanDerWaalsContact O-N 3.15Å; W676-T678 PolarHBondContact O-N 2.88Å; W676-I679 PolarHBondContact O-N 2.96Å; W676-K680 WeakPolarHBondContact O-CB 3.01Å; W676-K680 PolarHBondContact O-N 3.38Å; W676-E688 HydrophobicContact CE3-CG 4Å; W676-E688 HydrophobicContact CH2-CG 4.42Å; W676-E688 HydrophobicContact CZ3-CB 4.32Å; W676-E688 HydrophobicContact CZ3-CG 3.7Å; W676-I691 HydrophobicContact CH2-CB 3.68Å; W676-I691 HydrophobicContact CH2-CG2 3.43Å; W676-I691 VanDerWaalsContact CH2-CG2 3.43Å; W676-I691 HydrophobicContact CZ2-CG2 4.21Å; W676-I691 HydrophobicContact CZ3-CB 3.79Å; W676-I691 HydrophobicContact CZ3-CD1 3.92Å; W676-I691 HydrophobicContact CZ3-CG1 4.44Å; W676-I691 HydrophobicContact CZ3-CG2 3.8Å; W676-M694 HydrophobicContact CD2-CE 3.52Å; W676-M694 HydrophobicContact CD2-SD 4.22Å; W676-M694 VanDerWaalsContact CE2-CE 3.46Å; W676-M694 HydrophobicContact CE3-CE 3.78Å; W676-M694 HydrophobicContact CG-CE 4.09Å; W676-M694 HydrophobicContact CG-SD 4.32Å; W676-M694 HydrophobicContact CH2-CE 4Å; W676-M694 HydrophobicContact CZ2-CB 4.2Å; W676-M694 HydrophobicContact CZ2-CE 3.73Å; W676-M694 HydrophobicContact CZ2-SD 4.37Å; W676-M694 HydrophobicContact CZ3-CE 4Å
677	R	81.6	Confident	78.8	Confident	147 Å²	147	72.4 Å²	72.4	56%	0.555	35%	0.351	S	S	*	.	H	α-helix	trans	-63.7	-42.7	178.5	-150.6	-165.2	82.4	-170.9	8.5	112.4	G673 A675 K680 E681	G673-R677 WeakPolarHBondContact O-CB 3.11Å; G673-R677 PolarHBondContact O-N 2.98Å; A675-R677 VanDerWaalsContact C-N 3.29Å; A675-R677 PolarHBondContact O-N 2.92Å; R677-K680 PolarHBondContact O-N 2.91Å; R677-E681 IonicContact CZ-OE1 3.12Å; R677-E681 IonicContact NE-OE1 2.68Å; R677-E681 PolarHBondContact NE-OE1 2.88Å; R677-E681 IonicContact NH2-OE1 2.75Å; R677-E681 PolarHBondContact NH2-OE1 2.8Å; R677-E681 IonicContact NH2-OE2 3.66Å; R677-E681 WeakPolarHBondContact O-CB 3.49Å; R677-E681 WeakPolarHBondContact O-CG 3.36Å; R677-E681 PolarHBondContact O-N 3.2Å
678	T	81.6	Confident	78.2	Confident	10 Å²	10	71 Å²	71	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-69.6	-39.6	178	-64.1	0	0	0	0	112.6	Y674 A675 W676 K680 E681 Q682 W719 W725	Y674-T678 PolarHBondContact O-N 2.88Å; Y674-T678 PolarHBondContact O-OG1 3.08Å; A675-T678 PolarHBondContact O-N 3.24Å; A675-T678 VanDerWaalsContact O-N 3.15Å; W676-T678 PolarHBondContact O-N 2.88Å; T678-K680 VanDerWaalsContact C-N 3.31Å; T678-K680 PolarHBondContact O-N 3.37Å; T678-E681 PolarHBondContact O-N 3.07Å; T678-Q682 PolarHBondContact O-N 2.94Å; T678-W719 HydrophobicContact CG2-CH2 3.88Å; T678-W725 VanDerWaalsContact CG2-CD1 3.49Å; T678-W725 HydrophobicContact CG2-CD2 4.1Å; T678-W725 HydrophobicContact CG2-CG 3.9Å; T678-W725 HydrophobicContact CG2-CZ2 4.48Å; T678-W725 WeakPolarHBondContact OG1-CZ2 2.81Å; T678-W725 PolarHBondContact OG1-NE1 3.06Å
679	I	82.8	Confident	78	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-58.3	-46.7	172.4	-77.3	163.3	0	0	0	110	L663 A675 W676 Q682 L683 F687 I691 M694 F705 W719	L663-I679 HydrophobicContact CD2-CD1 3.93Å; L663-I679 HydrophobicContact CD2-CG1 3.98Å; A675-I679 HydrophobicContact CB-CD1 4.42Å; A675-I679 WeakPolarHBondContact O-CB 3.44Å; A675-I679 WeakPolarHBondContact O-CG1 3.15Å; A675-I679 PolarHBondContact O-N 3.29Å; W676-I679 PolarHBondContact O-N 2.96Å; I679-Q682 PolarHBondContact O-N 2.84Å; I679-L683 HydrophobicContact CG2-CD1 4.43Å; I679-L683 WeakPolarHBondContact O-CB 3.39Å; I679-L683 PolarHBondContact O-N 3.21Å; I679-F687 HydrophobicContact CG2-CD1 4.39Å; I679-I691 HydrophobicContact CD1-CD1 4.07Å; I679-I691 HydrophobicContact CG2-CD1 3.41Å; I679-I691 VanDerWaalsContact CG2-CD1 3.41Å; I679-M694 HydrophobicContact CD1-CE 3.5Å; I679-F705 HydrophobicContact CD1-CE1 3.9Å; I679-F705 HydrophobicContact CD1-CZ 4.13Å; I679-W719 HydrophobicContact CG1-CZ3 4.42Å
680	K	83.4	Confident	77.9	Confident	84 Å²	84	74.1 Å²	74.1	37%	0.365	36%	0.363	S	S	.	.	H	α-helix	trans	-65	-37.5	177.1	-168	172	-171.9	175.5	0	113	W676 R677 T678 G684 E685	W676-K680 WeakPolarHBondContact O-CB 3.01Å; W676-K680 PolarHBondContact O-N 3.38Å; R677-K680 PolarHBondContact O-N 2.91Å; T678-K680 VanDerWaalsContact C-N 3.31Å; T678-K680 PolarHBondContact O-N 3.37Å; K680-G684 PolarHBondContact O-N 2.84Å; K680-E685 VanDerWaalsContact CE-CG 3.47Å; K680-E685 WeakPolarHBondContact CE-OE1 3.43Å; K680-E685 IonicContact NZ-OE1 2.66Å; K680-E685 PolarHBondContact NZ-OE1 3.33Å
681	E	81.4	Confident	78.2	Confident	118 Å²	118	67.8 Å²	67.8	55%	0.551	33%	0.334	S	S	*	.	H	α-helix	trans	-66.3	-30.6	175.5	-78.8	164.6	-177.1	0	0	113.6	R677 T678	R677-E681 IonicContact CZ-OE1 3.12Å; R677-E681 IonicContact NE-OE1 2.68Å; R677-E681 PolarHBondContact NE-OE1 2.88Å; R677-E681 IonicContact NH2-OE1 2.75Å; R677-E681 PolarHBondContact NH2-OE1 2.8Å; R677-E681 IonicContact NH2-OE2 3.66Å; R677-E681 WeakPolarHBondContact O-CB 3.49Å; R677-E681 WeakPolarHBondContact O-CG 3.36Å; R677-E681 PolarHBondContact O-N 3.2Å; T678-E681 PolarHBondContact O-N 3.07Å
682	Q	79.5	Confident	78.1	Confident	70 Å²	70	66.8 Å²	66.8	33%	0.327	33%	0.326	S	S	.	.	H	α-helix	trans	-103.2	-34.4	-178.6	-67.6	-154.2	9.5	0	0	115.1	T678 I679 W719 K720	T678-Q682 PolarHBondContact O-N 2.94Å; I679-Q682 PolarHBondContact O-N 2.84Å; Q682-W719 HydrophobicContact CB-CE3 3.95Å; Q682-W719 HydrophobicContact CB-CZ3 4.01Å; Q682-W719 HydrophobicContact CG-CE3 4.41Å; Q682-W719 HydrophobicContact CG-CZ3 4.27Å; Q682-W719 VanDerWaalsContact OE1-CE3 3.29Å; Q682-K720 PolarHBondContact NE2-O 3.2Å; Q682-K720 PolarHBondContact OE1-O 3.3Å
683	L	78.8	Confident	77.7	Confident	32 Å²	32	70.3 Å²	70.3	17%	0.168	34%	0.336	C	S	.	.	H	α-helix	trans	-112	-3.3	-170.2	-57.2	173.2	0	0	0	113.7	I679 F687 I715 N718 W719	I679-L683 HydrophobicContact CG2-CD1 4.43Å; I679-L683 WeakPolarHBondContact O-CB 3.39Å; I679-L683 PolarHBondContact O-N 3.21Å; L683-F687 HydrophobicContact CB-CB 3.97Å; L683-F687 HydrophobicContact CB-CD1 3.95Å; L683-F687 HydrophobicContact CB-CG 3.97Å; L683-F687 HydrophobicContact CD1-CD1 3.68Å; L683-F687 HydrophobicContact CD1-CE1 3.92Å; L683-F687 HydrophobicContact CD1-CG 4.4Å; L683-F687 HydrophobicContact CG-CD1 4.46Å; L683-F687 WeakPolarHBondContact O-CB 3.41Å; L683-I715 HydrophobicContact CD1-CG2 3.84Å; L683-I715 HydrophobicContact CD2-CG2 4.2Å; L683-N718 HydrophobicContact CD2-CB 4.17Å; L683-W719 HydrophobicContact CD1-CE3 4.04Å; L683-W719 HydrophobicContact CD1-CZ3 4.44Å; L683-W719 HydrophobicContact CD2-CB 4.42Å; L683-W719 HydrophobicContact CD2-CE3 4.34Å; L683-W719 HydrophobicContact CG-CE3 4.09Å
684	G	77.3	Confident	77.8	Confident	34 Å²	34	69.5 Å²	69.5	35%	0.351	32%	0.323	S	S	.	.			trans	84	172.5	176.9	0	0	0	0	0	115	K680	K680-G684 PolarHBondContact O-N 2.84Å
685	E	71.6	Confident	77.8	Confident	129 Å²	129	64.3 Å²	64.3	60%	0.603	31%	0.305	S	S	*	.	S	Bend	trans	-72.3	-39.5	-174.7	-54.3	-152.3	122.7	0	0	112.8	K680 F687 E688	K680-E685 VanDerWaalsContact CE-CG 3.47Å; K680-E685 WeakPolarHBondContact CE-OE1 3.43Å; K680-E685 IonicContact NZ-OE1 2.66Å; K680-E685 PolarHBondContact NZ-OE1 3.33Å; E685-F687 PolarHBondContact O-N 3.48Å; E685-F687 VanDerWaalsContact O-N 3.09Å; E685-E688 WeakPolarHBondContact O-CB 3.28Å; E685-E688 PolarHBondContact O-N 2.91Å; E685-E688 VanDerWaalsContact O-N 3.12Å
686	D	68.1	Low	77.9	Confident	132 Å²	132	65.7 Å²	65.7	71%	0.706	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.1	180	-63.7	-60.4	0	0	0	113.3	H690	D686-H690 PolarHBondContact O-CE1 2.98Å; D686-H690 PolarHBondContact O-ND1 3.39Å
687	F	70.8	Confident	77.9	Confident	22 Å²	22	63 Å²	63	10%	0.096	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-24.5	179.9	-159.7	-99.9	0	0	0	113.3	I679 L683 E685 N689 H690 I691 V707 K711 I715	I679-F687 HydrophobicContact CG2-CD1 4.39Å; L683-F687 HydrophobicContact CB-CB 3.97Å; L683-F687 HydrophobicContact CB-CD1 3.95Å; L683-F687 HydrophobicContact CB-CG 3.97Å; L683-F687 HydrophobicContact CD1-CD1 3.68Å; L683-F687 HydrophobicContact CD1-CE1 3.92Å; L683-F687 HydrophobicContact CD1-CG 4.4Å; L683-F687 HydrophobicContact CG-CD1 4.46Å; L683-F687 WeakPolarHBondContact O-CB 3.41Å; E685-F687 PolarHBondContact O-N 3.48Å; E685-F687 VanDerWaalsContact O-N 3.09Å; F687-N689 VanDerWaalsContact C-N 3.26Å; F687-N689 PolarHBondContact O-N 2.77Å; F687-H690 HydrophobicContact CD2-CB 4.42Å; F687-H690 HydrophobicContact CE2-CB 4.09Å; F687-H690 HydrophobicContact CZ-CB 4.35Å; F687-H690 PolarHBondContact O-N 2.89Å; F687-I691 HydrophobicContact CD1-CD1 3.73Å; F687-I691 HydrophobicContact CD1-CG1 3.95Å; F687-I691 HydrophobicContact CE1-CD1 3.58Å; F687-I691 HydrophobicContact CE1-CG1 3.47Å; F687-I691 VanDerWaalsContact CE1-CG1 3.47Å; F687-I691 HydrophobicContact CZ-CG1 4.23Å; F687-V707 HydrophobicContact CZ-CG1 3.96Å; F687-V707 HydrophobicContact CZ-CG2 4.49Å; F687-K711 HydrophobicContact CE2-CB 4.42Å; F687-I715 HydrophobicContact CD2-CG1 4.5Å; F687-I715 HydrophobicContact CE1-CD1 3.96Å; F687-I715 HydrophobicContact CE1-CG1 4.07Å; F687-I715 HydrophobicContact CE2-CD1 3.68Å; F687-I715 HydrophobicContact CE2-CG1 3.68Å; F687-I715 HydrophobicContact CZ-CD1 3.16Å; F687-I715 HydrophobicContact CZ-CG1 3.48Å; F687-I715 VanDerWaalsContact CZ-CG1 3.48Å
688	E	66.9	Low	77.8	Confident	79 Å²	79	61.4 Å²	61.4	37%	0.369	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-58.1	-38	178.4	179.1	160.8	-171.8	0	0	112	W676 E685 H690 I691	W676-E688 HydrophobicContact CE3-CG 4Å; W676-E688 HydrophobicContact CH2-CG 4.42Å; W676-E688 HydrophobicContact CZ3-CB 4.32Å; W676-E688 HydrophobicContact CZ3-CG 3.7Å; E685-E688 WeakPolarHBondContact O-CB 3.28Å; E685-E688 PolarHBondContact O-N 2.91Å; E685-E688 VanDerWaalsContact O-N 3.12Å; E688-H690 PolarHBondContact O-N 2.96Å; E688-I691 PolarHBondContact O-N 2.92Å
689	N	73.8	Confident	77.5	Confident	122 Å²	122	63.4 Å²	63.4	65%	0.652	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-65.3	-20.2	178.3	-65.7	-56.6	0	0	0	114.4	F687 H692	F687-N689 VanDerWaalsContact C-N 3.26Å; F687-N689 PolarHBondContact O-N 2.77Å; N689-H692 PolarHBondContact O-CE1 3.13Å
690	H	78.1	Confident	77.3	Confident	56 Å²	56	65.9 Å²	65.9	26%	0.259	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-96.4	-7.4	-175.5	-62.3	94.2	0	0	0	113.3	D686 F687 E688 P708 K711	D686-H690 PolarHBondContact O-CE1 2.98Å; D686-H690 PolarHBondContact O-ND1 3.39Å; F687-H690 HydrophobicContact CD2-CB 4.42Å; F687-H690 HydrophobicContact CE2-CB 4.09Å; F687-H690 HydrophobicContact CZ-CB 4.35Å; F687-H690 PolarHBondContact O-N 2.89Å; E688-H690 PolarHBondContact O-N 2.96Å; H690-P708 VanDerWaalsContact O-CD 3.26Å; H690-P708 WeakPolarHBondContact O-CD 3.37Å; H690-K711 PolarHBondContact CD2-NZ 3.35Å; H690-K711 VanDerWaalsContact CD2-NZ 3.27Å; H690-K711 PolarHBondContact NE2-NZ 2.88Å
691	I	80.6	Confident	77.2	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.041	33%	0.334	C	S	.	.			trans	-93.6	128.9	179.9	-67.5	176.9	0	0	0	109.7	W676 I679 F687 E688 M694 F705	W676-I691 HydrophobicContact CH2-CB 3.68Å; W676-I691 HydrophobicContact CH2-CG2 3.43Å; W676-I691 VanDerWaalsContact CH2-CG2 3.43Å; W676-I691 HydrophobicContact CZ2-CG2 4.21Å; W676-I691 HydrophobicContact CZ3-CB 3.79Å; W676-I691 HydrophobicContact CZ3-CD1 3.92Å; W676-I691 HydrophobicContact CZ3-CG1 4.44Å; W676-I691 HydrophobicContact CZ3-CG2 3.8Å; I679-I691 HydrophobicContact CD1-CD1 4.07Å; I679-I691 HydrophobicContact CG2-CD1 3.41Å; I679-I691 VanDerWaalsContact CG2-CD1 3.41Å; F687-I691 HydrophobicContact CD1-CD1 3.73Å; F687-I691 HydrophobicContact CD1-CG1 3.95Å; F687-I691 HydrophobicContact CE1-CD1 3.58Å; F687-I691 HydrophobicContact CE1-CG1 3.47Å; F687-I691 VanDerWaalsContact CE1-CG1 3.47Å; F687-I691 HydrophobicContact CZ-CG1 4.23Å; E688-I691 PolarHBondContact O-N 2.92Å; I691-M694 HydrophobicContact CG2-CE 4.02Å; I691-F705 HydrophobicContact CB-CD2 4.47Å; I691-F705 HydrophobicContact CD1-CD2 4.36Å; I691-F705 HydrophobicContact CD1-CE2 4.16Å; I691-F705 HydrophobicContact CG1-CD2 4.12Å; I691-F705 HydrophobicContact CG1-CE2 4.21Å; I691-F705 HydrophobicContact CG2-CB 3.76Å; I691-F705 HydrophobicContact CG2-CD2 3.73Å; I691-F705 HydrophobicContact CG2-CG 3.84Å
692	H	78.1	Confident	77.4	Confident	75 Å²	75	59.5 Å²	59.5	35%	0.347	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145	-179	-67	-12.7	0	0	0	112.3	Y658 N689 M694 D706	Y658-H692 AromaticContact CE1-CD2 3.69Å; N689-H692 PolarHBondContact O-CE1 3.13Å; H692-M694 VanDerWaalsContact C-N 3.28Å; H692-M694 PolarHBondContact O-N 3.15Å; H692-M694 VanDerWaalsContact O-N 3.13Å; H692-D706 HydrophobicContact CB-CB 4.29Å; H692-D706 PolarHBondContact N-O 3.3Å; H692-D706 PolarHBondContact O-N 3.31Å
693	R	71.9	Confident	77.7	Confident	125 Å²	125	56.2 Å²	56.2	47%	0.472	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.5	24.4	164.8	-58	163.2	-175.3	-127.6	21.4	116.6	N653 D655 T695 D706	N653-R693 WeakPolarHBondContact ND2-CD 3.37Å; N653-R693 PolarHBondContact ND2-NE 2.67Å; N653-R693 PolarHBondContact ND2-NH1 2.77Å; D655-R693 IonicContact OD1-NH2 3.52Å; D655-R693 IonicContact OD2-CZ 3.75Å; D655-R693 IonicContact OD2-NE 2.66Å; D655-R693 IonicContact OD2-NH2 3.94Å; D655-R693 PolarHBondContact OD2-NH2 2.74Å; R693-T695 PolarHBondContact O-N 2.75Å; R693-T695 PolarHBondContact O-OG1 2.96Å; R693-D706 WeakPolarHBondContact CD-OD2 3.26Å
694	M	82.1	Confident	78	Confident	17 Å²	17	54.7 Å²	54.7	8%	0.084	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-44.8	123.8	179.5	-167	-171.8	-68.7	0	0	112.9	L672 A675 W676 I679 I691 H692 V703 C704 F705	L672-M694 HydrophobicContact CD2-CG 3.96Å; L672-M694 HydrophobicContact CD2-SD 4Å; A675-M694 HydrophobicContact CB-CE 4.43Å; A675-M694 HydrophobicContact CB-SD 3.89Å; W676-M694 HydrophobicContact CD2-CE 3.52Å; W676-M694 HydrophobicContact CD2-SD 4.22Å; W676-M694 VanDerWaalsContact CE2-CE 3.46Å; W676-M694 HydrophobicContact CE3-CE 3.78Å; W676-M694 HydrophobicContact CG-CE 4.09Å; W676-M694 HydrophobicContact CG-SD 4.32Å; W676-M694 HydrophobicContact CH2-CE 4Å; W676-M694 HydrophobicContact CZ2-CB 4.2Å; W676-M694 HydrophobicContact CZ2-CE 3.73Å; W676-M694 HydrophobicContact CZ2-SD 4.37Å; W676-M694 HydrophobicContact CZ3-CE 4Å; I679-M694 HydrophobicContact CD1-CE 3.5Å; I691-M694 HydrophobicContact CG2-CE 4.02Å; H692-M694 VanDerWaalsContact C-N 3.28Å; H692-M694 PolarHBondContact O-N 3.15Å; H692-M694 VanDerWaalsContact O-N 3.13Å; M694-V703 HydrophobicContact CG-CB 3.91Å; M694-V703 HydrophobicContact CG-CG1 4.25Å; M694-V703 HydrophobicContact CG-CG2 4.03Å; M694-V703 HydrophobicContact SD-CB 4.31Å; M694-V703 HydrophobicContact SD-CG1 4.26Å; M694-V703 HydrophobicContact SD-CG2 4.03Å; M694-C704 CarbonylContact C-O 3.52Å; M694-C704 VanDerWaalsContact CA-O 3.27Å; M694-C704 WeakPolarHBondContact CA-O 3.24Å; M694-F705 HydrophobicContact CB-CB 4.06Å; M694-F705 HydrophobicContact CE-CD1 4.3Å; M694-F705 HydrophobicContact CG-CB 4.23Å; M694-F705 HydrophobicContact CG-CD1 4.44Å
695	T	80.9	Confident	78.4	Confident	23 Å²	23	53.1 Å²	53.1	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.3	-174.4	-67	0	0	0	0	110	R693 V703 C704 L736 K739	R693-T695 PolarHBondContact O-N 2.75Å; R693-T695 PolarHBondContact O-OG1 2.96Å; T695-V703 CarbonylContact O-C 3.56Å; T695-V703 VanDerWaalsContact O-CA 3.3Å; T695-V703 WeakPolarHBondContact O-CA 3.31Å; T695-C704 PolarHBondContact N-O 2.84Å; T695-C704 PolarHBondContact O-N 2.82Å; T695-C704 PolarHBondContact O-SG 2.88Å; T695-C704 VanDerWaalsContact O-SG 3.38Å; T695-L736 HydrophobicContact CG2-CB 4.47Å; T695-L736 HydrophobicContact CG2-CD1 4.21Å; T695-K739 PolarHBondContact OG1-NZ 2.89Å
696	F	84.3	Confident	79.1	Confident	28 Å²	28	47 Å²	47	12%	0.123	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	146.9	179.4	-76.2	-62	0	0	0	113.1	M669 L672 K700 V703 L736 E737	M669-F696 HydrophobicContact CB-CE1 3.88Å; M669-F696 HydrophobicContact CE-CE1 4.11Å; M669-F696 WeakPolarHBondContact O-CE1 3.33Å; L672-F696 HydrophobicContact CD2-CD1 4.24Å; L672-F696 HydrophobicContact CD2-CD2 4.39Å; L672-F696 HydrophobicContact CD2-CE1 4.22Å; L672-F696 HydrophobicContact CD2-CE2 4.37Å; L672-F696 HydrophobicContact CD2-CG 4.34Å; L672-F696 HydrophobicContact CD2-CZ 4.3Å; L672-F696 HydrophobicContact CG-CD2 4.34Å; L672-F696 HydrophobicContact CG-CE1 4.28Å; L672-F696 HydrophobicContact CG-CE2 3.9Å; L672-F696 HydrophobicContact CG-CZ 3.89Å; F696-K700 HydrophobicContact CD1-CB 4.34Å; F696-K700 HydrophobicContact CD1-CG 4.29Å; F696-K700 HydrophobicContact CG-CG 4.25Å; F696-V703 HydrophobicContact CD1-CG1 3.95Å; F696-V703 HydrophobicContact CE1-CG1 4.37Å; F696-L736 WeakPolarHBondContact O-CA 3.44Å; F696-E737 HydrophobicContact CB-CB 3.81Å; F696-E737 VanDerWaalsContact CD2-OE2 3.3Å; F696-E737 WeakPolarHBondContact CD2-OE2 3.2Å; F696-E737 PolarHBondContact O-N 3.26Å
697	L	82.8	Confident	79.8	Confident	10 Å²	10	40.7 Å²	40.7	5%	0.052	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-71.8	152.9	160	-58.7	176.5	0	0	0	110.2	Q662 Q664 G699 K700 G702 C704 P734 L736	Q662-L697 HydrophobicContact CG-CD1 3.98Å; Q662-L697 HydrophobicContact CG-CD2 4.21Å; Q662-L697 VanDerWaalsContact NE2-CD1 3.31Å; Q664-L697 HydrophobicContact CG-CD1 4.33Å; L697-G699 PolarHBondContact O-N 2.97Å; L697-K700 WeakPolarHBondContact O-CA 3.27Å; L697-K700 PolarHBondContact O-N 2.84Å; L697-G702 PolarHBondContact N-O 3.07Å; L697-C704 HydrophobicContact CD2-CB 4.42Å; L697-P734 HydrophobicContact CD2-CB 3.5Å; L697-P734 HydrophobicContact CD2-CG 4.25Å; L697-L736 HydrophobicContact CD2-CD2 4.37Å
698	K	79.3	Confident	80.4	Confident	115 Å²	115	40.4 Å²	40.4	50%	0.5	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	127.1	174.4	-177.6	-177.3	173.8	-168.5	0	109.9	K700 E735	K698-K700 VanDerWaalsContact C-N 3.31Å; K698-E735 HydrophobicContact CB-CB 3.95Å; K698-E735 WeakPolarHBondContact CB-O 3.34Å; K698-E735 HydrophobicContact CD-CB 3.76Å; K698-E735 HydrophobicContact CD-CG 4.37Å; K698-E735 VanDerWaalsContact CD-OE2 3.24Å; K698-E735 WeakPolarHBondContact CD-OE2 3.35Å; K698-E735 WeakPolarHBondContact CE-OE2 3.46Å; K698-E735 PolarHBondContact N-O 3.26Å; K698-E735 IonicContact NZ-OE1 2.67Å; K698-E735 PolarHBondContact NZ-OE1 3.03Å; K698-E735 IonicContact NZ-OE2 2.84Å; K698-E735 PolarHBondContact NZ-OE2 3.09Å
699	G	74.9	Confident	80.9	Confident	51 Å²	51	38.1 Å²	38.1	53%	0.526	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	6.9	-172	0	0	0	0	0	115	L697 T701	L697-G699 PolarHBondContact O-N 2.97Å; G699-T701 PolarHBondContact O-N 3.04Å; G699-T701 VanDerWaalsContact O-N 3.09Å
700	K	78.4	Confident	81.2	Confident	54 Å²	54	37.7 Å²	37.7	24%	0.235	20%	0.199	C	C	.	.	S	Bend	trans	57	22.4	173.3	-56.8	174.5	-169.9	165.7	0	115.6	E668 M669 F696 L697 K698 G702 E737	E668-K700 HydrophobicContact CG-CB 3.81Å; M669-K700 WeakPolarHBondContact CB-O 3.25Å; M669-K700 PolarHBondContact N-O 3.09Å; M669-K700 WeakPolarHBondContact O-CB 3.47Å; M669-K700 WeakPolarHBondContact O-CD 3.22Å; F696-K700 HydrophobicContact CD1-CB 4.34Å; F696-K700 HydrophobicContact CD1-CG 4.29Å; F696-K700 HydrophobicContact CG-CG 4.25Å; L697-K700 WeakPolarHBondContact O-CA 3.27Å; L697-K700 PolarHBondContact O-N 2.84Å; K698-K700 VanDerWaalsContact C-N 3.31Å; K700-G702 PolarHBondContact O-N 2.88Å; K700-E737 WeakPolarHBondContact CE-OE1 3.37Å; K700-E737 WeakPolarHBondContact CE-OE2 3.34Å; K700-E737 IonicContact NZ-OE1 3.11Å
701	T	81.7	Confident	81.3	Confident	68 Å²	68	38 Å²	38	42%	0.417	20%	0.199	S	C	.	.	S	Bend	trans	-78.9	31.8	174.1	48.4	0	0	0	0	112.7	C665 G699	C665-T701 PolarHBondContact N-O 3.23Å; G699-T701 PolarHBondContact O-N 3.04Å; G699-T701 VanDerWaalsContact O-N 3.09Å
702	G	85.4	Confident	81.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.2	-173	-178	0	0	0	0	0	114	L663 L697 K700	L663-G702 CarbonylContact O-C 3.59Å; L663-G702 WeakPolarHBondContact O-CA 3.3Å; L697-G702 PolarHBondContact N-O 3.07Å; K700-G702 PolarHBondContact O-N 2.88Å
703	V	85.7	Confident	81.2	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.7	-179.4	-61	0	0	0	0	111.7	L663 M669 L672 A675 M694 T695 F696 F705	L663-V703 HydrophobicContact CB-CG2 3.91Å; L663-V703 HydrophobicContact CD2-CG2 4.24Å; L663-V703 HydrophobicContact CG-CG2 4.43Å; L663-V703 PolarHBondContact N-O 2.85Å; L663-V703 PolarHBondContact O-N 3.37Å; M669-V703 HydrophobicContact CE-CG1 3.86Å; M669-V703 HydrophobicContact SD-CG1 4.37Å; L672-V703 HydrophobicContact CD2-CG1 3.72Å; A675-V703 HydrophobicContact CB-CB 4.49Å; A675-V703 HydrophobicContact CB-CG1 4.01Å; A675-V703 HydrophobicContact CB-CG2 3.61Å; M694-V703 HydrophobicContact CG-CB 3.91Å; M694-V703 HydrophobicContact CG-CG1 4.25Å; M694-V703 HydrophobicContact CG-CG2 4.03Å; M694-V703 HydrophobicContact SD-CB 4.31Å; M694-V703 HydrophobicContact SD-CG1 4.26Å; M694-V703 HydrophobicContact SD-CG2 4.03Å; T695-V703 CarbonylContact O-C 3.56Å; T695-V703 VanDerWaalsContact O-CA 3.3Å; T695-V703 WeakPolarHBondContact O-CA 3.31Å; F696-V703 HydrophobicContact CD1-CG1 3.95Å; F696-V703 HydrophobicContact CE1-CG1 4.37Å; V703-F705 HydrophobicContact CG2-CD1 4.14Å; V703-F705 HydrophobicContact CG2-CE1 4.37Å
704	C	85.3	Confident	81.5	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.2	164.7	64	0	0	0	0	109.7	L652 T660 M661 M694 T695 L697 L736	L652-C704 HydrophobicContact CD2-CB 4.34Å; T660-C704 HydrophobicContact CG2-CB 4.41Å; M661-C704 CarbonylContact O-C 3.6Å; M661-C704 VanDerWaalsContact O-CA 3.28Å; M661-C704 WeakPolarHBondContact O-CA 3.39Å; M694-C704 CarbonylContact C-O 3.52Å; M694-C704 VanDerWaalsContact CA-O 3.27Å; M694-C704 WeakPolarHBondContact CA-O 3.24Å; T695-C704 PolarHBondContact N-O 2.84Å; T695-C704 PolarHBondContact O-N 2.82Å; T695-C704 PolarHBondContact O-SG 2.88Å; T695-C704 VanDerWaalsContact O-SG 3.38Å; L697-C704 HydrophobicContact CD2-CB 4.42Å; C704-L736 HydrophobicContact CB-CD2 4.38Å; C704-L736 WeakPolarHBondContact SG-CD2 3.19Å
705	F	85.9	Confident	81.4	Confident	1 Å²	1	39.3 Å²	39.3	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	157.9	177	53.4	-90.6	0	0	0	111.9	T660 M661 L663 I679 I691 M694 V703 V707 L727	T660-F705 CarbonylContact C-O 3.59Å; T660-F705 WeakPolarHBondContact CA-O 3.28Å; M661-F705 HydrophobicContact CB-CD2 4.44Å; M661-F705 HydrophobicContact CB-CE2 4Å; M661-F705 HydrophobicContact CB-CZ 4.15Å; M661-F705 PolarHBondContact N-O 3.26Å; M661-F705 PolarHBondContact O-N 2.77Å; M661-F705 HydrophobicContact SD-CE2 4.47Å; L663-F705 HydrophobicContact CB-CE1 4Å; I679-F705 HydrophobicContact CD1-CE1 3.9Å; I679-F705 HydrophobicContact CD1-CZ 4.13Å; I691-F705 HydrophobicContact CB-CD2 4.47Å; I691-F705 HydrophobicContact CD1-CD2 4.36Å; I691-F705 HydrophobicContact CD1-CE2 4.16Å; I691-F705 HydrophobicContact CG1-CD2 4.12Å; I691-F705 HydrophobicContact CG1-CE2 4.21Å; I691-F705 HydrophobicContact CG2-CB 3.76Å; I691-F705 HydrophobicContact CG2-CD2 3.73Å; I691-F705 HydrophobicContact CG2-CG 3.84Å; M694-F705 HydrophobicContact CB-CB 4.06Å; M694-F705 HydrophobicContact CE-CD1 4.3Å; M694-F705 HydrophobicContact CG-CB 4.23Å; M694-F705 HydrophobicContact CG-CD1 4.44Å; V703-F705 HydrophobicContact CG2-CD1 4.14Å; V703-F705 HydrophobicContact CG2-CE1 4.37Å; F705-V707 HydrophobicContact CD2-CG2 3.56Å; F705-V707 HydrophobicContact CE2-CG2 3.57Å; F705-L727 HydrophobicContact CE1-CD1 4.38Å; F705-L727 HydrophobicContact CZ-CD1 3.96Å
706	D	85.2	Confident	81.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144.1	176	-64.2	-41.3	0	0	0	111.1	S650 L652 N653 Y658 T660 H692 R693	S650-D706 VanDerWaalsContact CB-OD1 3.28Å; S650-D706 WeakPolarHBondContact CB-OD1 3.48Å; S650-D706 PolarHBondContact OG-OD1 3.09Å; S650-D706 PolarHBondContact OG-OD2 3.02Å; S650-D706 VanDerWaalsContact OG-OD2 3.09Å; L652-D706 WeakPolarHBondContact CG-OD1 3.04Å; N653-D706 PolarHBondContact ND2-OD2 2.81Å; Y658-D706 HydrophobicContact CD1-CB 4.41Å; T660-D706 PolarHBondContact OG1-OD1 3.24Å; H692-D706 HydrophobicContact CB-CB 4.29Å; H692-D706 PolarHBondContact N-O 3.3Å; H692-D706 PolarHBondContact O-N 3.31Å; R693-D706 WeakPolarHBondContact CD-OD2 3.26Å
707	V	84.3	Confident	81	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.2	179.6	-179.2	0	0	0	0	109.8	Y658 T659 M661 F687 F705 A709 K711 I715	Y658-V707 CarbonylContact C-O 3.52Å; Y658-V707 VanDerWaalsContact CA-O 3.24Å; Y658-V707 WeakPolarHBondContact CA-O 3.26Å; T659-V707 PolarHBondContact N-O 3.1Å; T659-V707 PolarHBondContact O-N 3.28Å; M661-V707 HydrophobicContact CG-CG2 4.23Å; M661-V707 HydrophobicContact SD-CB 4.49Å; M661-V707 HydrophobicContact SD-CG2 3.96Å; F687-V707 HydrophobicContact CZ-CG1 3.96Å; F687-V707 HydrophobicContact CZ-CG2 4.49Å; F705-V707 HydrophobicContact CD2-CG2 3.56Å; F705-V707 HydrophobicContact CE2-CG2 3.57Å; V707-A709 PolarHBondContact O-N 3.03Å; V707-K711 HydrophobicContact CG1-CB 4.21Å; V707-I715 HydrophobicContact CB-CD1 4.45Å; V707-I715 HydrophobicContact CG1-CD1 3.48Å; V707-I715 VanDerWaalsContact CG1-CD1 3.48Å; V707-I715 HydrophobicContact CG2-CD1 4.33Å
708	P	82.4	Confident	80.9	Confident	17 Å²	17	52.4 Å²	52.4	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	133.7	169.1	-26.8	35.3	0	0	0	113.4	G657 Y658 H690 D710 K711	G657-P708 WeakPolarHBondContact O-CA 3.39Å; Y658-P708 HydrophobicContact CD1-CG 4.28Å; Y658-P708 HydrophobicContact CE1-CG 3.77Å; H690-P708 VanDerWaalsContact O-CD 3.26Å; H690-P708 WeakPolarHBondContact O-CD 3.37Å; P708-D710 VanDerWaalsContact C-N 3.26Å; P708-D710 WeakPolarHBondContact CB-OD1 3.39Å; P708-D710 PolarHBondContact O-N 2.89Å; P708-K711 HydrophobicContact CB-CG 4.34Å; P708-K711 PolarHBondContact O-N 3.27Å
709	A	78.9	Confident	81	Confident	31 Å²	31	48 Å²	48	26%	0.256	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-62.2	-29.6	-171.1	0	0	0	0	0	113.8	Q648 G657 V707 K711	Q648-A709 HydrophobicContact CB-CB 4.19Å; G657-A709 WeakPolarHBondContact O-CB 3.3Å; G657-A709 PolarHBondContact O-N 2.88Å; V707-A709 PolarHBondContact O-N 3.03Å; A709-K711 VanDerWaalsContact C-N 3.25Å; A709-K711 PolarHBondContact O-N 2.82Å
710	D	80.1	Confident	81.3	Confident	113 Å²	113	53.1 Å²	53.1	60%	0.604	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-61.9	-30.3	173.4	59.3	-59.1	0	0	0	112.9	P708	P708-D710 VanDerWaalsContact C-N 3.26Å; P708-D710 WeakPolarHBondContact CB-OD1 3.39Å; P708-D710 PolarHBondContact O-N 2.89Å
711	K	78.5	Confident	81.4	Confident	61 Å²	61	55.1 Å²	55.1	27%	0.265	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-93.4	-10.5	-173.9	-50.9	-159.9	179.7	-157.9	0	113.9	F687 H690 V707 P708 A709 K713 V714 I715	F687-K711 HydrophobicContact CE2-CB 4.42Å; H690-K711 PolarHBondContact CD2-NZ 3.35Å; H690-K711 VanDerWaalsContact CD2-NZ 3.27Å; H690-K711 PolarHBondContact NE2-NZ 2.88Å; V707-K711 HydrophobicContact CG1-CB 4.21Å; P708-K711 HydrophobicContact CB-CG 4.34Å; P708-K711 PolarHBondContact O-N 3.27Å; A709-K711 VanDerWaalsContact C-N 3.25Å; A709-K711 PolarHBondContact O-N 2.82Å; K711-K713 VanDerWaalsContact C-N 3.34Å; K711-K713 PolarHBondContact O-N 3.22Å; K711-V714 PolarHBondContact O-N 3.09Å; K711-I715 HydrophobicContact CB-CD1 4.39Å; K711-I715 WeakPolarHBondContact O-CD1 3.43Å; K711-I715 VanDerWaalsContact O-CG1 3.31Å; K711-I715 WeakPolarHBondContact O-CG1 3.05Å; K711-I715 PolarHBondContact O-N 3.38Å; K711-I715 VanDerWaalsContact O-N 3.09Å
712	V	78.8	Confident	81.2	Confident	11 Å²	11	53.6 Å²	53.6	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-55.6	-46.5	-177.7	179.6	0	0	0	0	111.7	T659 I715 Q716 V729	T659-V712 HydrophobicContact CG2-CG2 4.03Å; V712-I715 PolarHBondContact O-N 3.35Å; V712-Q716 WeakPolarHBondContact O-CG 3.12Å; V712-Q716 PolarHBondContact O-N 2.96Å; V712-Q716 VanDerWaalsContact O-N 3.08Å; V712-V729 HydrophobicContact CG1-CG2 3.84Å
713	K	77.7	Confident	80.5	Confident	156 Å²	156	65.5 Å²	65.5	68%	0.678	33%	0.325	S	S	*	.	H	α-helix	trans	-61.1	-50.6	177.7	-65.4	-173.3	178.9	-175.8	0	111.9	K711 I715 Q716 D717	K711-K713 VanDerWaalsContact C-N 3.34Å; K711-K713 PolarHBondContact O-N 3.22Å; K713-I715 PolarHBondContact O-N 3.49Å; K713-Q716 PolarHBondContact O-N 2.98Å; K713-D717 VanDerWaalsContact O-CG 3.22Å; K713-D717 PolarHBondContact O-N 3.05Å; K713-D717 VanDerWaalsContact O-OD2 3.11Å
714	V	79.7	Confident	80	Confident	84 Å²	84	72.1 Å²	72.1	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-54.6	-32.5	179.2	-175.5	0	0	0	0	111.8	K711 N718	K711-V714 PolarHBondContact O-N 3.09Å; V714-N718 WeakPolarHBondContact O-CB 3.3Å; V714-N718 PolarHBondContact O-N 3.45Å; V714-N718 PolarHBondContact O-ND2 3.38Å
715	I	78.4	Confident	79.8	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.015	36%	0.355	C	S	.	.	H	α-helix	trans	-76	-46.1	175.5	-61.4	149.8	0	0	0	111.2	M661 L683 F687 V707 K711 V712 K713 D717 N718 W719 L727	M661-I715 HydrophobicContact CE-CB 4.47Å; M661-I715 HydrophobicContact CE-CG2 3.97Å; M661-I715 HydrophobicContact SD-CD1 3.93Å; M661-I715 HydrophobicContact SD-CG2 4.21Å; L683-I715 HydrophobicContact CD1-CG2 3.84Å; L683-I715 HydrophobicContact CD2-CG2 4.2Å; F687-I715 HydrophobicContact CD2-CG1 4.5Å; F687-I715 HydrophobicContact CE1-CD1 3.96Å; F687-I715 HydrophobicContact CE1-CG1 4.07Å; F687-I715 HydrophobicContact CE2-CD1 3.68Å; F687-I715 HydrophobicContact CE2-CG1 3.68Å; F687-I715 HydrophobicContact CZ-CD1 3.16Å; F687-I715 HydrophobicContact CZ-CG1 3.48Å; F687-I715 VanDerWaalsContact CZ-CG1 3.48Å; V707-I715 HydrophobicContact CB-CD1 4.45Å; V707-I715 HydrophobicContact CG1-CD1 3.48Å; V707-I715 VanDerWaalsContact CG1-CD1 3.48Å; V707-I715 HydrophobicContact CG2-CD1 4.33Å; K711-I715 HydrophobicContact CB-CD1 4.39Å; K711-I715 WeakPolarHBondContact O-CD1 3.43Å; K711-I715 VanDerWaalsContact O-CG1 3.31Å; K711-I715 WeakPolarHBondContact O-CG1 3.05Å; K711-I715 PolarHBondContact O-N 3.38Å; K711-I715 VanDerWaalsContact O-N 3.09Å; V712-I715 PolarHBondContact O-N 3.35Å; K713-I715 PolarHBondContact O-N 3.49Å; I715-D717 VanDerWaalsContact C-N 3.26Å; I715-D717 PolarHBondContact O-N 3.14Å; I715-N718 PolarHBondContact O-N 3.11Å; I715-W719 WeakPolarHBondContact O-CB 3.48Å; I715-W719 PolarHBondContact O-N 3.2Å; I715-L727 HydrophobicContact CG2-CD2 3.53Å
716	Q	79.4	Confident	79.6	Confident	110 Å²	110	78.4 Å²	78.4	51%	0.514	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-34.3	178.7	-67.3	-177.8	-78.2	0	0	112.3	M661 V712 K713	M661-Q716 HydrophobicContact CE-CG 4.35Å; V712-Q716 WeakPolarHBondContact O-CG 3.12Å; V712-Q716 PolarHBondContact O-N 2.96Å; V712-Q716 VanDerWaalsContact O-N 3.08Å; K713-Q716 PolarHBondContact O-N 2.98Å
717	D	79.3	Confident	79.6	Confident	129 Å²	129	79.3 Å²	79.3	69%	0.69	38%	0.383	S	S	*	.	H	α-helix	trans	-75.6	-31.8	178.8	-60.5	-35.1	0	0	0	112.9	K713 I715	K713-D717 VanDerWaalsContact O-CG 3.22Å; K713-D717 PolarHBondContact O-N 3.05Å; K713-D717 VanDerWaalsContact O-OD2 3.11Å; I715-D717 VanDerWaalsContact C-N 3.26Å; I715-D717 PolarHBondContact O-N 3.14Å
718	N	80.6	Confident	79.5	Confident	97 Å²	97	82.2 Å²	82.2	52%	0.519	40%	0.401	S	S	.	.	H	α-helix	trans	-94.1	-27.1	-178.8	-75.5	-63.4	0	0	0	114.1	L683 V714 I715	L683-N718 HydrophobicContact CD2-CB 4.17Å; V714-N718 WeakPolarHBondContact O-CB 3.3Å; V714-N718 PolarHBondContact O-N 3.45Å; V714-N718 PolarHBondContact O-ND2 3.38Å; I715-N718 PolarHBondContact O-N 3.11Å
719	W	81.4	Confident	79.4	Confident	22 Å²	22	83.8 Å²	83.8	8%	0.083	41%	0.41	C	S	.	.			trans	-71	145	-178.4	-179.1	-91.4	0	0	0	112.2	L663 T678 I679 Q682 L683 I715 D721 W725 L727	L663-W719 HydrophobicContact CD1-CH2 3.58Å; L663-W719 HydrophobicContact CD1-CZ2 3.42Å; L663-W719 VanDerWaalsContact CD1-CZ2 3.42Å; L663-W719 HydrophobicContact CD2-CH2 4.22Å; T678-W719 HydrophobicContact CG2-CH2 3.88Å; I679-W719 HydrophobicContact CG1-CZ3 4.42Å; Q682-W719 HydrophobicContact CB-CE3 3.95Å; Q682-W719 HydrophobicContact CB-CZ3 4.01Å; Q682-W719 HydrophobicContact CG-CE3 4.41Å; Q682-W719 HydrophobicContact CG-CZ3 4.27Å; Q682-W719 VanDerWaalsContact OE1-CE3 3.29Å; L683-W719 HydrophobicContact CD1-CE3 4.04Å; L683-W719 HydrophobicContact CD1-CZ3 4.44Å; L683-W719 HydrophobicContact CD2-CB 4.42Å; L683-W719 HydrophobicContact CD2-CE3 4.34Å; L683-W719 HydrophobicContact CG-CE3 4.09Å; I715-W719 WeakPolarHBondContact O-CB 3.48Å; I715-W719 PolarHBondContact O-N 3.2Å; W719-D721 VanDerWaalsContact CD1-OD1 3.27Å; W719-D721 PolarHBondContact NE1-OD1 2.82Å; W719-W725 HydrophobicContact CZ2-CB 4.09Å; W719-L727 HydrophobicContact CB-CD2 4.07Å; W719-L727 HydrophobicContact CD2-CB 3.95Å; W719-L727 HydrophobicContact CD2-CD2 3.64Å; W719-L727 HydrophobicContact CD2-CG 4.44Å; W719-L727 HydrophobicContact CE3-CD2 3.97Å; W719-L727 HydrophobicContact CG-CB 4.01Å; W719-L727 HydrophobicContact CG-CD2 3.66Å; W719-L727 HydrophobicContact CG-CG 4.49Å; W719-L727 HydrophobicContact CZ2-CB 4.07Å; W719-L727 VanDerWaalsContact NE1-CB 3.3Å
720	K	80	Confident	79.2	Confident	159 Å²	159	82.8 Å²	82.8	69%	0.691	40%	0.402	S	S	*	.			trans	-128.9	100.8	-179.8	-68.1	176.5	-175.1	170.1	0	110.2	Q682	Q682-K720 PolarHBondContact NE2-O 3.2Å; Q682-K720 PolarHBondContact OE1-O 3.3Å
721	D	81.6	Confident	78.6	Confident	95 Å²	95	82.5 Å²	82.5	51%	0.508	41%	0.405	S	S	.	.			trans	-56.4	142.4	173.2	-82.9	-9.8	0	0	0	111.5	W719 Q726 L727	W719-D721 VanDerWaalsContact CD1-OD1 3.27Å; W719-D721 PolarHBondContact NE1-OD1 2.82Å; D721-Q726 VanDerWaalsContact OD1-CA 3.26Å; D721-Q726 WeakPolarHBondContact OD1-CA 3.19Å; D721-L727 PolarHBondContact OD1-N 3.33Å
722	G	76.5	Confident	78.2	Confident	36 Å²	36	86 Å²	86	37%	0.371	42%	0.422	S	S	.	.			trans	-148.4	176	-179.1	0	0	0	0	0	112.5	R724 W725	G722-R724 PolarHBondContact O-N 2.85Å; G722-W725 PolarHBondContact N-O 3.45Å; G722-W725 PolarHBondContact O-N 3.28Å; G722-W725 VanDerWaalsContact O-N 3.15Å
723	R	70.4	Confident	78.1	Confident	250 Å²	250	87.5 Å²	87.5	94%	0.943	43%	0.429	S	S	*	.	S	Bend	trans	-59.1	-13.7	-176.5	-65.7	-173.7	178.7	-170.2	0.1	115.4	S666	S666-R723 PolarHBondContact OG-O 3.49Å
724	R	74.9	Confident	78.1	Confident	139 Å²	139	80.8 Å²	80.8	53%	0.525	40%	0.402	S	S	.	.	S	Bend	trans	-104.4	-32.7	176.7	-177.7	172.1	-80.4	151.7	-3.8	113.8	C665 S666 G722	C665-R724 CarbonylContact C-O 3.49Å; C665-R724 VanDerWaalsContact CA-O 3.3Å; C665-R724 WeakPolarHBondContact CA-O 3.48Å; S666-R724 PolarHBondContact N-O 2.84Å; S666-R724 WeakPolarHBondContact OG-CA 3.43Å; G722-R724 PolarHBondContact O-N 2.85Å
725	W	81.5	Confident	77.8	Confident	27 Å²	27	83.1 Å²	83.1	10%	0.102	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.8	-165.3	-66.3	115.8	0	0	0	110.6	L663 Q664 C665 M669 A675 T678 W719 G722	L663-W725 HydrophobicContact CD1-CB 4.16Å; L663-W725 HydrophobicContact CD1-CD2 4.39Å; L663-W725 HydrophobicContact CD1-CE3 3.72Å; L663-W725 HydrophobicContact CD1-CZ3 4.42Å; L663-W725 HydrophobicContact CD2-CE3 4Å; L663-W725 HydrophobicContact CD2-CZ3 3.94Å; L663-W725 HydrophobicContact CG-CE3 3.65Å; L663-W725 HydrophobicContact CG-CZ3 3.85Å; Q664-W725 WeakPolarHBondContact O-CA 3.3Å; C665-W725 HydrophobicContact CB-CE3 3.79Å; C665-W725 HydrophobicContact CB-CH2 4.19Å; C665-W725 HydrophobicContact CB-CZ3 3.58Å; M669-W725 HydrophobicContact CE-CH2 3.87Å; M669-W725 HydrophobicContact CE-CZ3 4.38Å; M669-W725 HydrophobicContact CG-CH2 4.36Å; M669-W725 HydrophobicContact SD-CH2 3.61Å; M669-W725 HydrophobicContact SD-CZ3 3.72Å; A675-W725 HydrophobicContact CB-CH2 4.3Å; T678-W725 VanDerWaalsContact CG2-CD1 3.49Å; T678-W725 HydrophobicContact CG2-CD2 4.1Å; T678-W725 HydrophobicContact CG2-CG 3.9Å; T678-W725 HydrophobicContact CG2-CZ2 4.48Å; T678-W725 WeakPolarHBondContact OG1-CZ2 2.81Å; T678-W725 PolarHBondContact OG1-NE1 3.06Å; W719-W725 HydrophobicContact CZ2-CB 4.09Å; G722-W725 PolarHBondContact N-O 3.45Å; G722-W725 PolarHBondContact O-N 3.28Å; G722-W725 VanDerWaalsContact O-N 3.15Å
726	Q	82.3	Confident	77.8	Confident	106 Å²	106	85.7 Å²	85.7	50%	0.495	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.6	177.6	-70.5	176.7	-16.9	0	0	109.6	L663 Q664 D721	L663-Q726 CarbonylContact C-O 3.59Å; L663-Q726 WeakPolarHBondContact CA-O 3.38Å; Q664-Q726 PolarHBondContact N-O 3.15Å; Q664-Q726 PolarHBondContact O-N 3.15Å; D721-Q726 VanDerWaalsContact OD1-CA 3.26Å; D721-Q726 WeakPolarHBondContact OD1-CA 3.19Å
727	L	84.3	Confident	77.7	Confident	19 Å²	19	83.5 Å²	83.5	10%	0.099	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.7	-177.6	-176.8	67.3	0	0	0	111.2	M661 L663 F705 I715 W719 D721	M661-L727 HydrophobicContact CB-CD1 4.2Å; M661-L727 HydrophobicContact CE-CD1 4.23Å; M661-L727 HydrophobicContact CE-CD2 3.82Å; M661-L727 HydrophobicContact CE-CG 3.9Å; L663-L727 HydrophobicContact CB-CD1 4Å; L663-L727 HydrophobicContact CD1-CB 4.37Å; L663-L727 HydrophobicContact CD1-CD1 4.45Å; F705-L727 HydrophobicContact CE1-CD1 4.38Å; F705-L727 HydrophobicContact CZ-CD1 3.96Å; I715-L727 HydrophobicContact CG2-CD2 3.53Å; W719-L727 HydrophobicContact CB-CD2 4.07Å; W719-L727 HydrophobicContact CD2-CB 3.95Å; W719-L727 HydrophobicContact CD2-CD2 3.64Å; W719-L727 HydrophobicContact CD2-CG 4.44Å; W719-L727 HydrophobicContact CE3-CD2 3.97Å; W719-L727 HydrophobicContact CG-CB 4.01Å; W719-L727 HydrophobicContact CG-CD2 3.66Å; W719-L727 HydrophobicContact CG-CG 4.49Å; W719-L727 HydrophobicContact CZ2-CB 4.07Å; W719-L727 VanDerWaalsContact NE1-CB 3.3Å; D721-L727 PolarHBondContact OD1-N 3.33Å
728	T	82.9	Confident	76.8	Confident	62 Å²	62	82.8 Å²	82.8	38%	0.38	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	150.6	178.4	57.3	0	0	0	0	111.4	M661 Q662	M661-T728 WeakPolarHBondContact CA-O 3.43Å; Q662-T728 PolarHBondContact N-O 2.99Å; Q662-T728 PolarHBondContact O-N 3.3Å
729	V	79.6	Confident	75.6	Confident	50 Å²	50	83.2 Å²	83.2	30%	0.303	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	128.6	163.8	176.1	0	0	0	0	107.4	T659 M661 V712 T731	T659-V729 HydrophobicContact CG2-CG1 3.69Å; M661-V729 HydrophobicContact CE-CG2 4.18Å; V712-V729 HydrophobicContact CG1-CG2 3.84Å; V729-T731 PolarHBondContact O-N 3.27Å
730	A	75.3	Confident	73.6	Confident	10 Å²	10	91.3 Å²	91.3	8%	0.083	44%	0.439	C	S	.	.			trans	-76.5	123.4	-178.2	0	0	0	0	0	110.2	L651 T660 P734	L651-A730 HydrophobicContact CD1-CB 3.92Å; L651-A730 VanDerWaalsContact CD1-O 3.31Å; L651-A730 WeakPolarHBondContact CD1-O 3.46Å; T660-A730 HydrophobicContact CG2-CB 4.33Å; T660-A730 WeakPolarHBondContact O-CB 3.49Å; T660-A730 PolarHBondContact O-N 3.09Å; A730-P734 HydrophobicContact CB-CG 4.27Å
731	T	67.9	Low	71.7	Confident	107 Å²	107	90.4 Å²	90.4	66%	0.656	44%	0.435	S	S	*	.	S	Bend	trans	-90.5	-29.8	175.4	54	0	0	0	0	112.6	T589 V729	T589-T731 WeakPolarHBondContact CG2-O 3.43Å; V729-T731 PolarHBondContact O-N 3.27Å
732	E	70.7	Confident	69.6	Low	134 Å²	134	91.4 Å²	91.4	63%	0.626	45%	0.447	S	S	*	.	S	Bend	trans	-123.8	157.6	170.1	-68.4	-171.6	-148.4	0	0	108.9	R583 P734	R583-E732 IonicContact NH2-OE2 2.73Å; E732-P734 WeakPolarHBondContact O-CD 3.46Å
733	L	76.6	Confident	67.6	Low	42 Å²	42	96.7 Å²	96.7	22%	0.22	47%	0.467	C	S	.	.			trans	-64.6	117.1	175.5	175.6	63.6	0	0	0	109.4	L651 L652 L736	L651-L733 HydrophobicContact CB-CD1 4.38Å; L652-L733 HydrophobicContact CD2-CD1 3.7Å; L733-L736 HydrophobicContact CD1-CD1 4.46Å
734	P	77	Confident	66.3	Low	16 Å²	16	97 Å²	97	10%	0.104	47%	0.468	C	S	.	.			trans	-65.7	153.4	-179.5	-22.1	35.5	0	0	0	111.7	Q662 L697 A730 E732 L736	Q662-P734 HydrophobicContact CB-CG 4.5Å; Q662-P734 HydrophobicContact CG-CG 4.41Å; L697-P734 HydrophobicContact CD2-CB 3.5Å; L697-P734 HydrophobicContact CD2-CG 4.25Å; A730-P734 HydrophobicContact CB-CG 4.27Å; E732-P734 WeakPolarHBondContact O-CD 3.46Å; P734-L736 HydrophobicContact CB-CD2 4.38Å; P734-L736 VanDerWaalsContact O-CD2 3.3Å; P734-L736 WeakPolarHBondContact O-CD2 3.37Å; P734-L736 WeakPolarHBondContact O-CG 3.46Å; P734-L736 PolarHBondContact O-N 3.12Å; P734-L736 VanDerWaalsContact O-N 3.08Å
735	E	72.7	Confident	64.6	Low	132 Å²	132	93.6 Å²	93.6	62%	0.617	48%	0.475	S	S	*	.			trans	-63.5	114.2	170.7	-67.2	-159.1	113.3	0	0	109.9	K698	K698-E735 HydrophobicContact CB-CB 3.95Å; K698-E735 WeakPolarHBondContact CB-O 3.34Å; K698-E735 HydrophobicContact CD-CB 3.76Å; K698-E735 HydrophobicContact CD-CG 4.37Å; K698-E735 VanDerWaalsContact CD-OE2 3.24Å; K698-E735 WeakPolarHBondContact CD-OE2 3.35Å; K698-E735 WeakPolarHBondContact CE-OE2 3.46Å; K698-E735 PolarHBondContact N-O 3.26Å; K698-E735 IonicContact NZ-OE1 2.67Å; K698-E735 PolarHBondContact NZ-OE1 3.03Å; K698-E735 IonicContact NZ-OE2 2.84Å; K698-E735 PolarHBondContact NZ-OE2 3.09Å
736	L	79.6	Confident	62.6	Low	58 Å²	58	98.4 Å²	98.4	30%	0.304	50%	0.503	S	S	.	.	B	Isolated β-bridge	trans	-90.8	154.5	-176.9	-53.2	-170.3	0	0	0	111.9	L652 T695 F696 L697 C704 L733 P734 E738	L652-L736 HydrophobicContact CD2-CD1 4.19Å; T695-L736 HydrophobicContact CG2-CB 4.47Å; T695-L736 HydrophobicContact CG2-CD1 4.21Å; F696-L736 WeakPolarHBondContact O-CA 3.44Å; L697-L736 HydrophobicContact CD2-CD2 4.37Å; C704-L736 HydrophobicContact CB-CD2 4.38Å; C704-L736 WeakPolarHBondContact SG-CD2 3.19Å; L733-L736 HydrophobicContact CD1-CD1 4.46Å; P734-L736 HydrophobicContact CB-CD2 4.38Å; P734-L736 VanDerWaalsContact O-CD2 3.3Å; P734-L736 WeakPolarHBondContact O-CD2 3.37Å; P734-L736 WeakPolarHBondContact O-CG 3.46Å; P734-L736 PolarHBondContact O-N 3.12Å; P734-L736 VanDerWaalsContact O-N 3.08Å; L736-E738 PolarHBondContact O-N 3.27Å
737	E	75.8	Confident	60.7	Low	64 Å²	64	105.7 Å²	105.7	30%	0.299	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-67.6	118.5	168.1	-171	-177.7	-161.6	0	0	109.6	F696 K700 K739	F696-E737 HydrophobicContact CB-CB 3.81Å; F696-E737 VanDerWaalsContact CD2-OE2 3.3Å; F696-E737 WeakPolarHBondContact CD2-OE2 3.2Å; F696-E737 PolarHBondContact O-N 3.26Å; K700-E737 WeakPolarHBondContact CE-OE1 3.37Å; K700-E737 WeakPolarHBondContact CE-OE2 3.34Å; K700-E737 IonicContact NZ-OE1 3.11Å; E737-K739 PolarHBondContact O-N 2.9Å
738	E	60.4	Low	58.6	Low	113 Å²	113	107.8 Å²	107.8	53%	0.528	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-61.1	120	169.9	-75.7	-157.2	-128.7	0	0	110.5	R572 L736 Q740	R572-E738 IonicContact CZ-OE2 3.3Å; R572-E738 IonicContact NH1-OE2 2.99Å; R572-E738 PolarHBondContact NH1-OE2 2.88Å; R572-E738 IonicContact NH2-OE2 2.77Å; R572-E738 PolarHBondContact NH2-OE2 3.4Å; L736-E738 PolarHBondContact O-N 3.27Å; E738-Q740 PolarHBondContact O-N 3.3Å
739	K	56.9	Low	56.3	Low	107 Å²	107	108 Å²	108	47%	0.465	57%	0.567	S	S	.	*			trans	-66.7	98.9	174.1	-76.3	168.9	-178.1	156	0	108.9	T695 E737 F741	T695-K739 PolarHBondContact OG1-NZ 2.89Å; E737-K739 PolarHBondContact O-N 2.9Å; K739-F741 HydrophobicContact CB-CE2 4.13Å; K739-F741 HydrophobicContact CB-CZ 4.43Å; K739-F741 VanDerWaalsContact O-CD2 3.25Å; K739-F741 WeakPolarHBondContact O-CD2 2.79Å; K739-F741 PolarHBondContact O-N 3.5Å
740	Q	39.1	Very low	54.6	Low	191 Å²	191	115.6 Å²	115.6	89%	0.893	60%	0.596	S	S	*	*			trans	-62.3	87.3	168.1	-69.4	-170.9	4.4	0	0	109.3	E738	E738-Q740 PolarHBondContact O-N 3.3Å
741	F	39.2	Very low	52.8	Low	141 Å²	141	127 Å²	127	62%	0.618	64%	0.637	S	S	*	*			trans	-60.7	124.5	165.1	-69.2	-78.3	0	0	0	107.7	K739 N743	K739-F741 HydrophobicContact CB-CE2 4.13Å; K739-F741 HydrophobicContact CB-CZ 4.43Å; K739-F741 VanDerWaalsContact O-CD2 3.25Å; K739-F741 WeakPolarHBondContact O-CD2 2.79Å; K739-F741 PolarHBondContact O-N 3.5Å; F741-N743 PolarHBondContact O-N 3.05Å
742	P	37.4	Very low	51.5	Low	116 Å²	116	125.7 Å²	125.7	75%	0.753	65%	0.646	S	S	*	*			trans	-61.7	116.9	-175.7	23.9	-33.2	0	0	0	108.7	R744	P742-R744 PolarHBondContact O-N 2.97Å
743	N	35.1	Very low	49.6	Very low	147 Å²	147	123.1 Å²	123.1	79%	0.786	66%	0.655	S	S	*	*			trans	-55.3	103.7	-169.2	-166.8	4.6	0	0	0	110	F741 G745	F741-N743 PolarHBondContact O-N 3.05Å; N743-G745 PolarHBondContact O-N 3.34Å
744	R	42.3	Very low	47.6	Very low	257 Å²	257	133 Å²	133	97%	0.97	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	42.1	-165.9	-148.3	-178.7	-164.7	-165.2	5.2	111.9	P742	P742-R744 PolarHBondContact O-N 2.97Å
745	G	41.2	Very low	45.6	Very low	66 Å²	66	135.9 Å²	135.9	68%	0.68	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.5	7.5	-169.1	0	0	0	0	0	114.6	N743	N743-G745 PolarHBondContact O-N 3.34Å
746	D	39	Very low	43.8	Very low	128 Å²	128	141.7 Å²	141.7	68%	0.684	74%	0.738	S	S	*	*			trans	-141.6	110.7	163	-159.1	-15.5	0	0	0	113.7	G748	D746-G748 PolarHBondContact OD1-N 2.75Å
747	R	42.5	Very low	41.5	Very low	259 Å²	259	142.4 Å²	142.4	98%	0.977	76%	0.76	S	S	*	*			trans	-137	44.9	155.9	-87.5	-163.1	174.2	-171.8	-0.6	110.3
748	G	38.9	Very low	39.5	Very low	63 Å²	63	149.5 Å²	149.5	65%	0.649	79%	0.79	S	S	*	*			trans	-81	5.7	165.7	0	0	0	0	0	113.9	D746 F750	D746-G748 PolarHBondContact OD1-N 2.75Å; G748-F750 PolarHBondContact O-N 2.68Å
749	G	34.2	Very low	38	Very low	67 Å²	67	147.9 Å²	147.9	69%	0.691	80%	0.803	S	S	*	*			trans	-77.4	104.2	-172.3	0	0	0	0	0	114.7	R751	G749-R751 PolarHBondContact O-N 3.16Å
750	F	44.1	Very low	36.8	Very low	210 Å²	210	146.5 Å²	146.5	92%	0.921	82%	0.82	S	S	*	*			trans	-54	125.5	164.8	-90.1	-111.8	0	0	0	111.2	G748	G748-F750 PolarHBondContact O-N 2.68Å
751	R	37.2	Very low	36.5	Very low	248 Å²	248	145.5 Å²	145.5	94%	0.936	82%	0.821	S	S	*	*			trans	-130.7	108.5	161.4	-114.1	-174.4	179.7	-166.6	0.5	109.8	G749 G753	G749-R751 PolarHBondContact O-N 3.16Å; R751-G753 PolarHBondContact O-N 2.66Å; R751-G753 VanDerWaalsContact O-N 3.16Å
752	G	41	Very low	36	Very low	81 Å²	81	142.2 Å²	142.2	84%	0.835	83%	0.827	S	S	*	*			trans	-65.8	110.5	178.1	0	0	0	0	0	111.6	R754	G752-R754 PolarHBondContact O-N 3.24Å
753	G	31.9	Very low	35.8	Very low	79 Å²	79	140.7 Å²	140.7	81%	0.814	83%	0.831	S	S	*	*			trans	-75.9	102.8	174.3	0	0	0	0	0	111.3	R751 G755	R751-G753 PolarHBondContact O-N 2.66Å; R751-G753 VanDerWaalsContact O-N 3.16Å; G753-G755 PolarHBondContact O-N 3.45Å
754	R	34.8	Very low	35.7	Very low	250 Å²	250	145 Å²	145	94%	0.943	84%	0.837	S	S	*	*			trans	-60.1	132.2	161.5	-78.9	-177.9	171.2	174.9	-3.3	108.7	G752	G752-R754 PolarHBondContact O-N 3.24Å
755	G	33.7	Very low	35.4	Very low	77 Å²	77	140.6 Å²	140.6	79%	0.794	83%	0.833	S	S	*	*			trans	-67.4	146.8	-174	0	0	0	0	0	114.1	G753	G753-G755 PolarHBondContact O-N 3.45Å
756	R	35.9	Very low	34.9	Very low	253 Å²	253	141.1 Å²	141.1	96%	0.955	84%	0.838	S	S	*	*			trans	-133.1	131.5	150.5	-80.7	-171.3	168.7	-175.1	-4.2	107.4
757	G	31.3	Very low	34.6	Very low	74 Å²	74	138.3 Å²	138.3	76%	0.763	84%	0.839	S	S	*	*			trans	-89.2	132.1	-172.8	0	0	0	0	0	113.2
758	F	32.5	Very low	34.2	Very low	213 Å²	213	134.4 Å²	134.4	93%	0.934	83%	0.829	S	S	*	*			trans	-136.1	137.7	146.2	-88.3	-97.7	0	0	0	104.7
759	G	30.7	Very low	34	Very low	78 Å²	78	142.1 Å²	142.1	80%	0.804	84%	0.839	S	S	*	*			cis	110.8	51.9	17.5	0	0	0	0	0	110.3
760	G	30.7	Very low	34	Very low	79 Å²	79	144.4 Å²	144.4	81%	0.814	84%	0.844	S	S	*	*			trans	-156.6	92.4	-168.4	0	0	0	0	0	112.6
761	N	32	Very low	33.4	Very low	170 Å²	170	138 Å²	138	91%	0.909	84%	0.837	S	S	*	*			trans	-55	145.5	-178.3	176.9	35.2	0	0	0	116.3
762	G	30	Very low	33.1	Very low	72 Å²	72	129.9 Å²	129.9	74%	0.742	83%	0.832	S	S	*	*			trans	115.8	135	144.2	0	0	0	0	0	118.4
763	G	32.9	Very low	32.6	Very low	83 Å²	83	130 Å²	130	86%	0.856	83%	0.833	S	S	*	*			trans	135.6	93.9	165.6	0	0	0	0	0	115.5
764	R	33.3	Very low	32.5	Very low	238 Å²	238	130.3 Å²	130.3	90%	0.898	84%	0.836	S	S	*	*			trans	-93.6	128.7	173.2	-73.2	176.4	173	166.6	-4.3	111.8
765	N	35.1	Very low	32.3	Very low	165 Å²	165	121.6 Å²	121.6	88%	0.882	82%	0.824	S	S	*	*			trans	158.2	152	136.1	-84.9	-7.7	0	0	0	109.7
766	G	32.1	Very low	32.3	Very low	77 Å²	77	128.5 Å²	128.5	79%	0.794	83%	0.827	S	S	*	*			cis	142	116.6	-0.8	0	0	0	0	0	110.6
767	G	32.6	Very low	32.1	Very low	69 Å²	69	123.5 Å²	123.5	71%	0.711	82%	0.82	S	S	*	*			trans	127.3	83.5	-173.3	0	0	0	0	0	111.5
768	F	33.7	Very low	32.2	Very low	176 Å²	176	127 Å²	127	77%	0.772	82%	0.821	S	S	*	*				65.7	114.6	82.9	-84.9	-81.4	0	0	0	116.3
769	R	34.1	Very low	32.2	Very low	225 Å²	225	128.4 Å²	128.4	85%	0.849	82%	0.82	S	S	*	*			trans	66	152.8	140	-80.6	173.9	-171.8	171	1.4	118.2
770	S	34.3	Very low	32.2	Very low	115 Å²	115	128.3 Å²	128.3	80%	0.804	82%	0.819	S	S	*	*			cis	-147.1	165	-5.9	-166.7	0	0	0	0	110.4
771	G	32.1	Very low	32.1	Very low	75 Å²	75	128 Å²	128	77%	0.773	82%	0.816	S	S	*	*			trans	-73.8	-165.5	-177.1	0	0	0	0	0	115.5
772	G	31.5	Very low	32.1	Very low	79 Å²	79	128.9 Å²	128.9	81%	0.814	81%	0.814	S	S	*	*			trans	142.5	72.2	165.9	0	0	0	0	0	115.4
773	G	30.1	Very low	32.3	Very low	84 Å²	84	135 Å²	135	87%	0.866	82%	0.82	S	S	*	*			trans	-58.7	176.5	174.6	0	0	0	0	0	117.2
774	G	29.3	Very low	32.3	Very low	85 Å²	85	141.8 Å²	141.8	88%	0.876	82%	0.82	S	S	*	*			trans	101.5	145.2	178.1	0	0	0	0	0	113.1
775	G	29.9	Very low	32.2	Very low	67 Å²	67	136.9 Å²	136.9	69%	0.691	82%	0.816	S	S	*	*			cis	153.4	111.6	-6.5	0	0	0	0	0	112.2
776	Y	34.3	Very low	31.9	Very low	221 Å²	221	138.2 Å²	138.2	87%	0.867	82%	0.815	S	S	*	*			trans	41.2	112.2	164	-61.1	-85.8	0	0	0	119.3
777	N	31.7	Very low	31.7	Very low	149 Å²	149	141.6 Å²	141.6	80%	0.797	82%	0.815	S	S	*	*				-177.9	125.8	104.1	-100.1	-52.7	0	0	0	115.5
778	N	33.5	Very low	31.6	Very low	146 Å²	146	147.5 Å²	147.5	78%	0.781	82%	0.824	S	S	*	*				53.6	156.4	123.7	-146.6	-5.7	0	0	0	122.1
779	R	33.1	Very low	31.4	Very low	244 Å²	244	143.5 Å²	143.5	92%	0.921	82%	0.823	S	S	*	*			trans	72.3	142.6	-172	-56.8	177.9	173.2	175.5	-2.2	114.6
780	G	29.6	Very low	31	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	83%	0.825	S	S	*	*			cis	161.3	77.2	-7.2	0	0	0	0	0	114.9
781	G	29.6	Very low	30.8	Very low	73 Å²	73	144.5 Å²	144.5	75%	0.753	83%	0.827	S	S	*	*			trans	69.7	142.2	164.3	0	0	0	0	0	117.6
782	H	31.5	Very low	30.8	Very low	188 Å²	188	155.7 Å²	155.7	87%	0.87	85%	0.848	S	S	*	*				-172.2	138.3	126.4	-104.7	75.2	0	0	0	109.9
783	K	34.1	Very low	30.8	Very low	202 Å²	202	159.6 Å²	159.6	88%	0.878	85%	0.85	S	S	*	*			trans	-71	139.6	168.5	-63.2	177.6	-179.2	178.8	0	108.6
784	R	32.5	Very low	30.8	Very low	225 Å²	225	163.5 Å²	163.5	85%	0.849	85%	0.849	S	S	*	*			trans	-118.6	107.3	165.1	-75.9	-170.5	175.2	-174.5	-1	110
785	T	30.4	Very low	30.9	Very low	134 Å²	134	167.9 Å²	167.9	82%	0.822	85%	0.847	S	S	*	*			trans	-68.9	130.1	162.7	44.4	0	0	0	0	109.3
786	F	28.9	Very low	31	Very low	194 Å²	194	173.8 Å²	173.8	85%	0.851	86%	0.857	S	S	*	*			trans	-98.2	109.9	167	-102.1	-89.4	0	0	0	109.5
787	N	29.6	Very low	30.7	Very low	147 Å²	147	170.9 Å²	170.9	79%	0.786	86%	0.856	S	S	*	*			trans	-129.3	160.7	163.5	-110.2	-19.4	0	0	0	106.5
788	Q	30.4	Very low	30.7	Very low	193 Å²	193	172.3 Å²	172.3	90%	0.902	86%	0.86	S	S	*	*			trans	73.7	98.8	-171.6	-51.7	-179.6	-53.5	0	0	114.7
789	A	27.6	Very low	30.5	Very low	92 Å²	92	174.2 Å²	174.2	76%	0.76	87%	0.866	S	S	*	*			trans	-159.2	43.9	164.3	0	0	0	0	0	111.9
790	F	27.5	Very low	30.3	Very low	205 Å²	205	168.8 Å²	168.8	90%	0.899	86%	0.861	S	S	*	*			trans	-145.3	94.5	171.8	-82.9	-66.1	0	0	0	111.4
791	D	29	Very low	30.3	Very low	157 Å²	157	176.7 Å²	176.7	84%	0.84	87%	0.869	S	S	*	*			trans	-145.2	140.8	153	-98.7	-44.1	0	0	0	105.7
792	Y	32.8	Very low	30.4	Very low	310 Å²	310	186.1 Å²	186.1	100%	1.216	88%	0.879	S	S	*	*			trans	91.8	0	-166.7	-65.6	-72.9	0	0	0	117.8

Retrieved 792 of 792 residues in 359.6 ms (Link to these results)

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