A0A061ILB2_CRIGR Loading...

Fibrinogen beta chain

Cleaved by the protease thrombin to yield monomers which, together with fibrinogen alpha (FGA) and fibrinogen gamma (FGG), polymerize to form an insoluble fibrin matrix. Fibrin has a major function in hemostasis as one of the primary components of blood clots. In addition, functions during the early stages of wound repair to stabilize the lesion and guide cell migration during re-epithelialization. Was originally thought to be essential for platelet aggregation, based on in vitro studies using anticoagulated blood. However subsequent studies have shown that it is not absolutely required for thrombus formation in vivo. Enhances expression of SELP in activated platelets. Maternal fibrinogen is essential for successful pregnancy. Fibrin deposition is also associated with infection, where it protects against IFNG-mediated hemorrhage. May also facilitate the antibacterial immune response via both innate and T-cell mediated pathways.

AlphaFold DB , UniProt , Accession A0A061ILB2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Fgb, Length 479 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.4	Low	46.8	Very low	237 Å²	237	158.3 Å²	158.3	100%	1.167	78%	0.778	S	S	*	*				0	84.8	0	-75.7	-136.1	-74.7	0	0	110.8
2	R	48.8	Very low	46	Very low	228 Å²	228	160.3 Å²	160.3	86%	0.86	78%	0.78	S	S	*	*			trans	-173.9	-8.8	157.6	-111.8	176.5	177.7	-173.2	-1.2	114.5
3	H	54.4	Low	45.2	Very low	166 Å²	166	155.6 Å²	155.6	77%	0.769	77%	0.774	S	S	*	*	S	Bend	trans	-112.8	9.4	174.6	-63.1	-57.2	0	0	0	115
4	L	46.7	Very low	44.7	Very low	139 Å²	139	154 Å²	154	73%	0.728	78%	0.776	S	S	*	*	S	Bend	trans	-96.4	-4.9	177.1	-130.5	105.8	0	0	0	113.8
5	W	46.9	Very low	43.9	Very low	218 Å²	218	156.2 Å²	156.2	83%	0.826	78%	0.782	S	S	*	*	S	Bend	trans	-98.9	-8.8	-176.5	-93.2	56.5	0	0	0	114.4
6	L	49.9	Very low	43	Very low	134 Å²	134	154.4 Å²	154.4	70%	0.702	78%	0.782	S	S	*	*	S	Bend	trans	-94.3	-12.4	179.8	-85.8	156.3	0	0	0	113.8
7	L	47	Very low	42.2	Very low	148 Å²	148	156.1 Å²	156.1	78%	0.775	79%	0.787	S	S	*	*	S	Bend	trans	-93.4	-10.5	174.9	-86.5	160.1	0	0	0	113.6
8	L	43.8	Very low	41.4	Very low	111 Å²	111	153.6 Å²	153.6	58%	0.581	79%	0.794	S	S	*	*	S	Bend	trans	-93.7	-3.3	-179.9	-95.3	156.4	0	0	0	114.3
9	L	44.2	Very low	40.8	Very low	131 Å²	131	150.3 Å²	150.3	69%	0.686	79%	0.792	S	S	*	*	S	Bend	trans	-96.7	-8.8	179.3	-94.4	160.2	0	0	0	114.5
10	C	40.9	Very low	40.2	Very low	112 Å²	112	150.4 Å²	150.4	76%	0.757	79%	0.793	S	S	*	*	S	Bend	trans	-96.8	3.1	177.8	-67.4	0	0	0	0	114.3
11	V	41.2	Very low	39.6	Very low	117 Å²	117	150.1 Å²	150.1	71%	0.709	79%	0.792	S	S	*	*	S	Bend	trans	-110.3	1.4	-178	-172.1	0	0	0	0	112.4
12	F	36.9	Very low	38.5	Very low	182 Å²	182	144.5 Å²	144.5	80%	0.798	77%	0.767	S	S	*	*	S	Bend	trans	-111.5	25.3	-175.5	-97	-74.7	0	0	0	115.7
13	S	36.1	Very low	37.6	Very low	100 Å²	100	142.5 Å²	142.5	70%	0.699	76%	0.761	S	S	*	*	S	Bend	trans	-137.1	41.1	175.5	62	0	0	0	0	113.9
14	V	37.7	Very low	36.4	Very low	133 Å²	133	141.9 Å²	141.9	81%	0.806	76%	0.763	S	S	*	*	S	Bend	trans	-146.2	79.4	157.8	-171.6	0	0	0	0	109.2
15	Q	32.3	Very low	35.6	Very low	187 Å²	187	142.8 Å²	142.8	87%	0.874	77%	0.769	S	S	*	*			trans	177.9	91.7	144.9	-103.3	170.2	-12	0	0	110.4
16	T	29.5	Very low	34.8	Very low	127 Å²	127	137.3 Å²	137.3	78%	0.779	76%	0.763	S	S	*	*			trans	-170.5	128.3	153.8	37.6	0	0	0	0	102.9
17	Q	30.5	Very low	33.8	Very low	183 Å²	183	138.5 Å²	138.5	86%	0.855	77%	0.771	S	S	*	*			cis	-154.6	145.4	9.5	-87.2	140.5	-61.3	0	0	105.1
18	A	27.7	Very low	32.8	Very low	111 Å²	111	134.4 Å²	134.4	92%	0.917	76%	0.764	S	S	*	*			trans	-152.4	94.9	155.4	0	0	0	0	0	107.5
19	A	29.3	Very low	32.3	Very low	92 Å²	92	134.9 Å²	134.9	76%	0.76	77%	0.771	S	S	*	*			trans	-126.9	113	160	0	0	0	0	0	105.3
20	D	28.8	Very low	31.6	Very low	152 Å²	152	137.4 Å²	137.4	81%	0.813	78%	0.784	S	S	*	*			trans	47.9	152	145.8	-71	-21.2	0	0	0	123.1
21	D	28	Very low	31.3	Very low	145 Å²	145	136.5 Å²	136.5	78%	0.775	78%	0.775	S	S	*	*			trans	84.8	126.6	164	-60.9	-14.6	0	0	0	115.3
22	D	28.4	Very low	31	Very low	119 Å²	119	142.8 Å²	142.8	64%	0.636	79%	0.786	S	S	*	*			cis	-179.9	171.9	4.5	-150.9	-3.1	0	0	0	107.1
23	Y	29.8	Very low	30.7	Very low	185 Å²	185	137.8 Å²	137.8	73%	0.725	79%	0.786	S	S	*	*			trans	86.5	105.3	161.7	-67.9	-75.4	0	0	0	123.2
24	D	28.3	Very low	30.7	Very low	153 Å²	153	141.7 Å²	141.7	82%	0.818	79%	0.793	S	S	*	*				78.9	131.1	118.4	-96.4	-21.8	0	0	0	123
25	D	31	Very low	30.8	Very low	159 Å²	159	146.6 Å²	146.6	85%	0.85	80%	0.797	S	S	*	*			trans	-103.5	110.6	-172	-168.7	13.2	0	0	0	107.8
26	S	29.5	Very low	31	Very low	102 Å²	102	143.3 Å²	143.3	71%	0.713	79%	0.792	S	S	*	*			trans	-163.9	102	160.2	66.8	0	0	0	0	111.4
27	D	28.5	Very low	31.5	Very low	160 Å²	160	144.9 Å²	144.9	86%	0.856	79%	0.793	S	S	*	*				176.6	127.5	124.1	-91.1	-21.4	0	0	0	108.5
28	G	26.6	Very low	31.8	Very low	61 Å²	61	143 Å²	143	63%	0.629	79%	0.789	S	S	*	*			cis	86	49.5	42.4	0	0	0	0	0	111.5
29	V	32.2	Very low	32.7	Very low	122 Å²	122	149 Å²	149	74%	0.739	79%	0.788	S	S	*	*			trans	47.7	119.4	142.1	-172.3	0	0	0	0	118.3	V31	V29-V31 HydrophobicContact CG1-CG2 3.75Å
30	L	29.4	Very low	33	Very low	183 Å²	183	155.1 Å²	155.1	96%	0.958	79%	0.792	S	S	*	*			trans	-131.2	136.2	137.1	-94.2	172.6	0	0	0	112.5
31	V	35.9	Very low	33.9	Very low	94 Å²	94	158.1 Å²	158.1	57%	0.57	80%	0.798	S	S	*	*			trans	-89.1	138.4	-166.3	169	0	0	0	0	111.2	V29	V29-V31 HydrophobicContact CG1-CG2 3.75Å
32	R	33.8	Very low	34.6	Very low	249 Å²	249	160.5 Å²	160.5	94%	0.94	80%	0.804	S	S	*	*				-178.6	112.7	126.2	-104.9	176.3	-176.2	175.1	2.5	112.7
33	G	32.3	Very low	35.4	Very low	77 Å²	77	159.6 Å²	159.6	79%	0.794	81%	0.813	S	S	*	*			trans	166.8	61.5	168.2	0	0	0	0	0	112.5
34	H	35.5	Very low	36.3	Very low	182 Å²	182	155.3 Å²	155.3	84%	0.843	82%	0.816	S	S	*	*			trans	-74.7	126.8	174.1	-77.2	-69.2	0	0	0	111
35	R	39	Very low	37.2	Very low	236 Å²	236	154.1 Å²	154.1	89%	0.891	82%	0.816	S	S	*	*			trans	-133.6	138.3	154.3	-162.9	172.1	-167.8	175.4	3.8	110
36	P	36.7	Very low	37.9	Very low	117 Å²	117	151.8 Å²	151.8	76%	0.76	81%	0.813	S	S	*	*			trans	-75.8	142.1	-168.4	-12.9	29.6	0	0	0	113	D38	P36-D38 PolarHBondContact O-N 3.12Å
37	I	39.8	Very low	38.8	Very low	160 Å²	160	155.2 Å²	155.2	82%	0.821	82%	0.822	S	S	*	*			trans	-76.7	110.4	165.2	-66.6	168.2	0	0	0	107.3
38	D	37.5	Very low	39.6	Very low	144 Å²	144	158.8 Å²	158.8	77%	0.77	82%	0.823	S	S	*	*			trans	-104	108.4	168.7	-136.4	-18.3	0	0	0	109.4	P36 R40	P36-D38 PolarHBondContact O-N 3.12Å; D38-R40 PolarHBondContact O-N 3.21Å
39	R	45.8	Very low	40.6	Very low	236 Å²	236	161.9 Å²	161.9	89%	0.891	83%	0.832	S	S	*	*			trans	-80.8	100.4	171.1	-94.6	178.3	160.8	176.6	-3.6	107.9
40	R	36.9	Very low	41.4	Very low	222 Å²	222	160.3 Å²	160.3	84%	0.838	83%	0.833	S	S	*	*			trans	-130.6	121.3	156	-73.6	-169.8	179.3	-170.4	0	110.8	D38 E42	D38-R40 PolarHBondContact O-N 3.21Å; R40-E42 PolarHBondContact O-N 3.37Å
41	K	48	Very low	42.6	Very low	215 Å²	215	157.1 Å²	157.1	94%	0.935	82%	0.823	S	S	*	*			trans	-55.3	124.9	166.9	-84.7	171.7	165.7	175	0	109.3
42	E	41	Very low	43.4	Very low	195 Å²	195	158.1 Å²	158.1	91%	0.911	83%	0.831	S	S	*	*			trans	-124.7	143.5	154	-79.7	-173.1	161.1	0	0	109.8	R40	R40-E42 PolarHBondContact O-N 3.37Å
43	A	45	Very low	43.9	Very low	100 Å²	100	152.4 Å²	152.4	83%	0.826	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-81.1	157.4	-158.4	0	0	0	0	0	113.9
44	A	50.4	Low	44.6	Very low	94 Å²	94	156.7 Å²	156.7	78%	0.777	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-60.6	141.2	178	0	0	0	0	0	113.1
45	P	46.2	Very low	45.2	Very low	128 Å²	128	153.6 Å²	153.6	83%	0.831	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-74.1	137.1	165.9	-8.7	25.2	0	0	0	110.9
46	S	44.9	Very low	45.3	Very low	111 Å²	111	145.9 Å²	145.9	78%	0.776	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-69.7	134.2	-172	48.1	0	0	0	0	114.1	R48	S46-R48 PolarHBondContact O-N 2.97Å
47	L	48.8	Very low	45.6	Very low	173 Å²	173	144 Å²	144	91%	0.906	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-63.4	121.3	160.8	-71.4	158.9	0	0	0	108.8
48	R	45.3	Very low	45.7	Very low	235 Å²	235	140 Å²	140	89%	0.887	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76.4	138.7	161.1	-73	-171.5	-175.8	-154.3	2.2	109.1	S46	S46-R48 PolarHBondContact O-N 2.97Å
49	P	49.1	Very low	45.9	Very low	126 Å²	126	144.7 Å²	144.7	82%	0.818	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-74.1	135.6	-179.1	-8.3	24.3	0	0	0	111.5
50	A	48.7	Very low	45.9	Very low	90 Å²	90	144.8 Å²	144.8	74%	0.744	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-71.3	144.2	162.4	0	0	0	0	0	110
51	P	53.7	Low	46.2	Very low	116 Å²	116	138.6 Å²	138.6	75%	0.753	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-65.5	157.2	-176.9	26.1	-33.8	0	0	0	113
52	P	52.3	Low	45.9	Very low	115 Å²	115	138.7 Å²	138.7	75%	0.747	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-67.5	144.6	-172.1	27.4	-34.7	0	0	0	112.4	I54	P52-I54 PolarHBondContact O-N 3.21Å
53	P	45.3	Very low	46.3	Very low	128 Å²	128	134.6 Å²	134.6	83%	0.831	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.6	130.1	169.6	26.7	-30.5	0	0	0	110.3	S55	P53-S55 PolarHBondContact O-N 3.01Å
54	I	46	Very low	46.1	Very low	167 Å²	167	134.1 Å²	134.1	86%	0.856	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-53	123.5	171.9	-67.2	164	0	0	0	109.3	P52 G56	P52-I54 PolarHBondContact O-N 3.21Å; I54-G56 PolarHBondContact O-N 3.19Å
55	S	47.9	Very low	45.7	Very low	117 Å²	117	138.6 Å²	138.6	82%	0.818	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64	120	172.5	65	0	0	0	0	110.1	P53	P53-S55 PolarHBondContact O-N 3.01Å
56	G	41.1	Very low	45.6	Very low	74 Å²	74	139 Å²	139	76%	0.763	81%	0.81	S	S	*	*			trans	-140	102.3	175.3	0	0	0	0	0	111.8	I54	I54-G56 PolarHBondContact O-N 3.19Å
57	G	43.5	Very low	45.5	Very low	77 Å²	77	137.8 Å²	137.8	79%	0.794	81%	0.807	S	S	*	*			trans	80.9	91.8	147.8	0	0	0	0	0	117
58	G	42.7	Very low	45.3	Very low	77 Å²	77	133.7 Å²	133.7	79%	0.794	80%	0.798	S	S	*	*			trans	-58	141.8	171.7	0	0	0	0	0	114	R60	G58-R60 PolarHBondContact O-N 2.99Å
59	Y	40.4	Very low	45.2	Very low	242 Å²	242	127.8 Å²	127.8	95%	0.949	79%	0.792	S	S	*	*			trans	-63.4	98.2	162.8	-70.2	-90.4	0	0	0	108.8	A61	Y59-A61 PolarHBondContact O-N 2.82Å
60	R	47.1	Very low	45.1	Very low	239 Å²	239	130.6 Å²	130.6	90%	0.902	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-71.8	116.8	158	-89.1	-176.9	173.8	-175.5	-1.6	107.5	G58 R62	G58-R60 PolarHBondContact O-N 2.99Å; R60-R62 PolarHBondContact O-N 2.8Å
61	A	42.3	Very low	45	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-50.2	123.4	157.5	0	0	0	0	0	107.7	Y59 P63	Y59-A61 PolarHBondContact O-N 2.82Å; A61-P63 WeakPolarHBondContact O-CD 3.3Å
62	R	43	Very low	44.5	Very low	217 Å²	217	139.5 Å²	139.5	82%	0.819	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-58.1	122.1	172.7	-166.2	-178.8	-152.3	-171.8	8.4	106.4	R60 A64	R60-R62 PolarHBondContact O-N 2.8Å; R62-A64 PolarHBondContact O-N 3.25Å
63	P	48.5	Very low	44.3	Very low	108 Å²	108	141.9 Å²	141.9	70%	0.701	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-56.5	133.4	174.3	21.5	-29.3	0	0	0	107.4	A61 K65	A61-P63 WeakPolarHBondContact O-CD 3.3Å; P63-K65 PolarHBondContact O-N 3.27Å
64	A	40.7	Very low	44.4	Very low	91 Å²	91	144 Å²	144	75%	0.752	81%	0.807	S	S	*	*			trans	-45.4	119.8	164.9	0	0	0	0	0	106.2	R62 V66	R62-A64 PolarHBondContact O-N 3.25Å; A64-V66 VanDerWaalsContact C-N 3.32Å; A64-V66 PolarHBondContact O-N 3.14Å
65	K	42.8	Very low	44.3	Very low	188 Å²	188	143.5 Å²	143.5	82%	0.817	80%	0.804	S	S	*	*			trans	-53.7	109.2	170.8	-91.9	-176.4	174.4	-178	0	104.8	P63 A67	P63-K65 PolarHBondContact O-N 3.27Å; K65-A67 PolarHBondContact O-N 3.03Å
66	V	43.5	Very low	44.7	Very low	136 Å²	136	146.5 Å²	146.5	82%	0.824	80%	0.802	S	S	*	*			trans	-44.6	117.7	165.7	179.2	0	0	0	0	104.4	A64 A68	A64-V66 VanDerWaalsContact C-N 3.32Å; A64-V66 PolarHBondContact O-N 3.14Å; V66-A68 PolarHBondContact O-N 2.99Å
67	A	42.5	Very low	45.2	Very low	86 Å²	86	146.2 Å²	146.2	71%	0.711	79%	0.793	S	S	*	*			trans	-45	118	173.9	0	0	0	0	0	105.8	K65 S69	K65-A67 PolarHBondContact O-N 3.03Å; A67-S69 PolarHBondContact O-N 3.34Å
68	A	45.3	Very low	46.3	Very low	87 Å²	87	147.9 Å²	147.9	72%	0.719	79%	0.79	S	S	*	*			trans	-48.8	120.1	174.3	0	0	0	0	0	105.2	V66 Q70	V66-A68 PolarHBondContact O-N 2.99Å; A68-Q70 VanDerWaalsContact C-N 3.32Å; A68-Q70 PolarHBondContact O-N 2.71Å
69	S	43.5	Very low	47.4	Very low	110 Å²	110	152.1 Å²	152.1	77%	0.769	79%	0.794	S	S	*	*			trans	-39.3	105.9	173.2	169.9	0	0	0	0	106.1	A67 K71	A67-S69 PolarHBondContact O-N 3.34Å; S69-K71 PolarHBondContact O-N 3.46Å
70	Q	45.5	Very low	48.8	Very low	186 Å²	186	144.6 Å²	144.6	87%	0.869	78%	0.782	S	S	*	*			trans	-63.2	95.3	167.3	-83.6	-179.7	-23.1	0	0	102.1	A68 K72	A68-Q70 VanDerWaalsContact C-N 3.32Å; A68-Q70 PolarHBondContact O-N 2.71Å; Q70-K72 PolarHBondContact O-N 2.85Å
71	K	47.8	Very low	50	Low	185 Å²	185	136.1 Å²	136.1	80%	0.804	77%	0.769	S	S	*	*			trans	-44.9	108.3	151.6	-98.5	-178	173.4	179.6	0	102.5	S69 M73	S69-K71 PolarHBondContact O-N 3.46Å; K71-M73 PolarHBondContact O-N 3.15Å
72	K	43.7	Very low	51.6	Low	207 Å²	207	133.6 Å²	133.6	90%	0.9	75%	0.752	S	S	*	*			trans	-58.3	86.5	159.1	-129.3	179.3	-179.2	-177.1	0	102.2	Q70 E74	Q70-K72 PolarHBondContact O-N 2.85Å; K72-E74 PolarHBondContact O-N 3.24Å
73	M	47.3	Very low	53.2	Low	165 Å²	165	127.1 Å²	127.1	81%	0.813	74%	0.739	S	S	*	*			trans	-57.9	104.2	159.6	-112	177.6	175.6	0	0	101	K71 I75	K71-M73 PolarHBondContact O-N 3.15Å; M73-I75 PolarHBondContact O-N 3.07Å
74	E	46.6	Very low	54.6	Low	174 Å²	174	128.6 Å²	128.6	81%	0.813	74%	0.74	S	S	*	*			trans	-54.7	100.4	163.8	-164.3	174.1	-153.5	0	0	103.9	K72 K76	K72-E74 PolarHBondContact O-N 3.24Å; E74-K76 PolarHBondContact O-N 3.05Å
75	I	45.4	Very low	56.3	Low	155 Å²	155	128.1 Å²	128.1	80%	0.795	72%	0.723	S	S	*	*			trans	-66.4	89.8	173.5	-62.1	173.1	0	0	0	103.1	M73 A77	M73-I75 PolarHBondContact O-N 3.07Å; I75-A77 PolarHBondContact O-N 3.27Å
76	K	56.3	Low	57.8	Low	180 Å²	180	124.3 Å²	124.3	78%	0.783	73%	0.727	S	S	*	*			trans	-57.9	109.8	159.1	-96.3	-175.2	173.2	-178.7	0	104.5	E74 P78	E74-K76 PolarHBondContact O-N 3.05Å; K76-P78 WeakPolarHBondContact O-CD 3.15Å
77	A	50.1	Low	58.9	Low	68 Å²	68	121.5 Å²	121.5	56%	0.562	71%	0.707	S	S	*	*			trans	-52.4	118.2	167.7	0	0	0	0	0	106.3	I75 D79	I75-A77 PolarHBondContact O-N 3.27Å; A77-D79 PolarHBondContact O-N 2.86Å
78	P	67.3	Low	60.2	Low	112 Å²	112	126.6 Å²	126.6	73%	0.727	72%	0.716	S	S	*	*			trans	-70.6	92.4	173.2	28.5	-30.5	0	0	0	106.7	K76 A80	K76-P78 WeakPolarHBondContact O-CD 3.15Å; P78-A80 PolarHBondContact O-N 2.94Å
79	D	66	Low	61.4	Low	166 Å²	166	129.7 Å²	129.7	89%	0.888	72%	0.72	S	S	*	*			trans	-74.1	88.7	166.5	-73.4	-18.7	0	0	0	107.1	A77	A77-D79 PolarHBondContact O-N 2.86Å
80	A	70.3	Confident	62.7	Low	84 Å²	84	128.9 Å²	128.9	69%	0.694	71%	0.707	S	S	*	*			trans	-130.6	151.6	-176.5	0	0	0	0	0	110.5	P78	P78-A80 PolarHBondContact O-N 2.94Å
81	G	71.2	Confident	64.4	Low	61 Å²	61	121.4 Å²	121.4	63%	0.629	68%	0.68	S	S	*	*	S	Bend	trans	103	4.3	178.2	0	0	0	0	0	115.2	P95	G81-P95 VanDerWaalsContact O-CD 3.32Å; G81-P95 WeakPolarHBondContact O-CD 3.49Å; G81-P95 VanDerWaalsContact O-CG 3.28Å; G81-P95 WeakPolarHBondContact O-CG 3.37Å
82	G	76	Confident	65.9	Low	40 Å²	40	117 Å²	117	41%	0.412	67%	0.668	S	S	.	*			trans	-95.7	157	171.1	0	0	0	0	0	114	L93	G82-L93 CarbonylContact C-O 3.48Å; G82-L93 WeakPolarHBondContact CA-O 3.33Å
83	C	76.9	Confident	67.6	Low	80 Å²	80	110.8 Å²	110.8	54%	0.541	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.4	144.6	173.9	59.7	0	0	0	0	111	V92 L93	C83-V92 WeakPolarHBondContact O-CA 3.37Å; C83-L93 PolarHBondContact N-O 3.44Å; C83-L93 PolarHBondContact O-N 2.97Å
84	L	77.1	Confident	69.1	Low	139 Å²	139	107.6 Å²	107.6	73%	0.728	64%	0.637	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.4	122.2	177.1	-169.8	75.7	0	0	0	109.3	V92	L84-V92 HydrophobicContact CD1-CG2 3.65Å
85	H	77.4	Confident	70.7	Confident	81 Å²	81	101.4 Å²	101.4	38%	0.375	61%	0.612	S	S	.	*			trans	-77.1	145.7	178.3	-159.4	-91.7	0	0	0	110.8	D87 L90 G91 L93	H85-D87 PolarHBondContact ND1-N 2.59Å; H85-D87 PolarHBondContact O-N 3.21Å; H85-L90 HydrophobicContact CB-CB 3.95Å; H85-L90 WeakPolarHBondContact ND1-CD1 3.37Å; H85-G91 PolarHBondContact N-O 3.3Å; H85-L93 HydrophobicContact CB-CD1 4.42Å; H85-L93 HydrophobicContact CB-CG 4.47Å
86	A	73.8	Confident	72.4	Confident	109 Å²	109	97.8 Å²	97.8	90%	0.901	60%	0.598	S	S	*	*	S	Bend	trans	-70	-17.7	-177.1	0	0	0	0	0	113.8
87	D	67.3	Low	73.6	Confident	76 Å²	76	92.1 Å²	92.1	41%	0.406	59%	0.59	S	S	.	*	S	Bend	trans	-90.2	121.2	172.6	-172.6	-24.6	0	0	0	109.7	H85 N89 L90	H85-D87 PolarHBondContact ND1-N 2.59Å; H85-D87 PolarHBondContact O-N 3.21Å; D87-N89 PolarHBondContact O-N 3.46Å; D87-N89 VanDerWaalsContact O-N 3.13Å; D87-N89 WeakPolarHBondContact OD1-CB 3.3Å; D87-N89 PolarHBondContact OD1-N 3.47Å; D87-L90 HydrophobicContact CB-CD1 4.23Å; D87-L90 PolarHBondContact O-N 3.07Å
88	Q	70.1	Confident	75.2	Confident	193 Å²	193	93.4 Å²	93.4	90%	0.902	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-24	-177.6	-75.1	-176.1	-11.6	0	0	113.2	L90	Q88-L90 VanDerWaalsContact C-N 3.33Å; Q88-L90 PolarHBondContact O-N 3.36Å
89	N	70.3	Confident	75.8	Confident	152 Å²	152	93.2 Å²	93.2	81%	0.813	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-22.1	177.8	-67.8	-38.6	0	0	0	113.6	D87	D87-N89 PolarHBondContact O-N 3.46Å; D87-N89 VanDerWaalsContact O-N 3.13Å; D87-N89 WeakPolarHBondContact OD1-CB 3.3Å; D87-N89 PolarHBondContact OD1-N 3.47Å
90	L	70.3	Confident	76.6	Confident	93 Å²	93	90.1 Å²	90.1	49%	0.487	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.8	-15.2	-173.4	-73.3	168.1	0	0	0	114.1	H85 D87 Q88	H85-L90 HydrophobicContact CB-CB 3.95Å; H85-L90 WeakPolarHBondContact ND1-CD1 3.37Å; D87-L90 HydrophobicContact CB-CD1 4.23Å; D87-L90 PolarHBondContact O-N 3.07Å; Q88-L90 VanDerWaalsContact C-N 3.33Å; Q88-L90 PolarHBondContact O-N 3.36Å
91	G	82.2	Confident	77.3	Confident	30 Å²	30	91.9 Å²	91.9	31%	0.309	56%	0.56	S	S	.	*			trans	59.6	-140	171.7	0	0	0	0	0	114.6	H85	H85-G91 PolarHBondContact N-O 3.3Å
92	V	79	Confident	77.9	Confident	92 Å²	92	94 Å²	94	56%	0.558	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.2	119.5	179.1	-178.7	0	0	0	0	109.5	C83 L84	C83-V92 WeakPolarHBondContact O-CA 3.37Å; L84-V92 HydrophobicContact CD1-CG2 3.65Å
93	L	77.9	Confident	78.3	Confident	77 Å²	77	95.4 Å²	95.4	40%	0.403	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.7	124.4	173.8	-62.4	176.6	0	0	0	109.2	G82 C83 H85	G82-L93 CarbonylContact C-O 3.48Å; G82-L93 WeakPolarHBondContact CA-O 3.33Å; C83-L93 PolarHBondContact N-O 3.44Å; C83-L93 PolarHBondContact O-N 2.97Å; H85-L93 HydrophobicContact CB-CD1 4.42Å; H85-L93 HydrophobicContact CB-CG 4.47Å
94	C	79.2	Confident	78.6	Confident	97 Å²	97	97.1 Å²	97.1	66%	0.655	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-94.7	159.9	174.6	-68.6	0	0	0	0	111.4	T96	C94-T96 PolarHBondContact O-N 3.26Å
95	P	79.7	Confident	78.9	Confident	44 Å²	44	93.2 Å²	93.2	29%	0.286	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-53.8	138.2	173.5	-22.9	32.9	0	0	0	111.2	G81 Q99 L100	G81-P95 VanDerWaalsContact O-CD 3.32Å; G81-P95 WeakPolarHBondContact O-CD 3.49Å; G81-P95 VanDerWaalsContact O-CG 3.28Å; G81-P95 WeakPolarHBondContact O-CG 3.37Å; P95-Q99 HydrophobicContact CB-CB 4.17Å; P95-L100 HydrophobicContact CB-CD2 4.5Å; P95-L100 HydrophobicContact CB-CG 4.4Å
96	T	81.9	Confident	79.2	Confident	80 Å²	80	93.8 Å²	93.8	49%	0.491	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-68.9	159.2	178.1	57.9	0	0	0	0	111.5	C94 C98 Q99 L100	C94-T96 PolarHBondContact O-N 3.26Å; T96-C98 PolarHBondContact O-N 3.44Å; T96-C98 VanDerWaalsContact O-N 3.15Å; T96-Q99 WeakPolarHBondContact O-CB 3.48Å; T96-Q99 PolarHBondContact O-N 2.85Å; T96-Q99 PolarHBondContact OG1-N 2.85Å; T96-Q99 PolarHBondContact OG1-OE1 3.22Å; T96-Q99 VanDerWaalsContact OG1-OE1 3.08Å; T96-L100 PolarHBondContact O-N 3.26Å; T96-L100 VanDerWaalsContact O-N 3.14Å
97	G	82.4	Confident	79.7	Confident	60 Å²	60	93.8 Å²	93.8	62%	0.619	52%	0.524	S	S	*	.	H	α-helix	trans	-54.5	-33.5	175.4	0	0	0	0	0	113.4	L100 Q101	G97-L100 PolarHBondContact O-N 2.94Å; G97-Q101 WeakPolarHBondContact O-CB 3.41Å; G97-Q101 PolarHBondContact O-N 3.12Å
98	C	82.6	Confident	80.5	Confident	95 Å²	95	95.3 Å²	95.3	64%	0.642	53%	0.528	S	S	*	.	H	α-helix	trans	-65.7	-40.3	174.1	-64.5	0	0	0	0	112.5	T96 Q102	T96-C98 PolarHBondContact O-N 3.44Å; T96-C98 VanDerWaalsContact O-N 3.15Å; C98-Q102 WeakPolarHBondContact O-CB 3.38Å; C98-Q102 PolarHBondContact O-N 3.03Å
99	Q	80.9	Confident	81.1	Confident	109 Å²	109	93.1 Å²	93.1	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-67.1	-39.2	177.9	-80.8	164.7	-42.8	0	0	111.9	P95 T96 T103	P95-Q99 HydrophobicContact CB-CB 4.17Å; T96-Q99 WeakPolarHBondContact O-CB 3.48Å; T96-Q99 PolarHBondContact O-N 2.85Å; T96-Q99 PolarHBondContact OG1-N 2.85Å; T96-Q99 PolarHBondContact OG1-OE1 3.22Å; T96-Q99 VanDerWaalsContact OG1-OE1 3.08Å; Q99-T103 WeakPolarHBondContact O-CB 3.33Å; Q99-T103 PolarHBondContact O-N 3Å; Q99-T103 PolarHBondContact O-OG1 3.39Å
100	L	82.4	Confident	81.8	Confident	100 Å²	100	89.2 Å²	89.2	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-68	-44.7	176.1	-69.7	173.8	0	0	0	112	P95 T96 G97 Q102 T103 L104	P95-L100 HydrophobicContact CB-CD2 4.5Å; P95-L100 HydrophobicContact CB-CG 4.4Å; T96-L100 PolarHBondContact O-N 3.26Å; T96-L100 VanDerWaalsContact O-N 3.14Å; G97-L100 PolarHBondContact O-N 2.94Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-Q102 PolarHBondContact O-N 2.98Å; L100-T103 PolarHBondContact O-N 2.86Å; L100-L104 PolarHBondContact O-N 2.89Å
101	Q	84.9	Confident	82.6	Confident	122 Å²	122	89.7 Å²	89.7	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-59.2	-45.7	175.6	-175.8	-177.3	20.7	0	0	111.4	G97 T103 L104 I105	G97-Q101 WeakPolarHBondContact O-CB 3.41Å; G97-Q101 PolarHBondContact O-N 3.12Å; Q101-T103 VanDerWaalsContact C-N 3.3Å; Q101-T103 PolarHBondContact O-N 2.73Å; Q101-L104 PolarHBondContact O-N 3.12Å; Q101-I105 HydrophobicContact CG-CD1 3.89Å; Q101-I105 WeakPolarHBondContact O-CG1 3.37Å; Q101-I105 PolarHBondContact O-N 3.18Å
102	Q	84.6	Confident	82.8	Confident	104 Å²	104	94.7 Å²	94.7	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-38.5	178.4	-164.1	65.9	36.4	0	0	111.4	C98 L100 I105 N106	C98-Q102 WeakPolarHBondContact O-CB 3.38Å; C98-Q102 PolarHBondContact O-N 3.03Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-Q102 PolarHBondContact O-N 2.98Å; Q102-I105 PolarHBondContact O-N 3.34Å; Q102-N106 PolarHBondContact NE2-OD1 3.32Å; Q102-N106 WeakPolarHBondContact O-CB 3.41Å; Q102-N106 PolarHBondContact O-N 3.38Å; Q102-N106 PolarHBondContact O-ND2 3.35Å; Q102-N106 PolarHBondContact O-OD1 3.41Å
103	T	83.1	Confident	83.1	Confident	71 Å²	71	93.1 Å²	93.1	44%	0.436	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-43.6	176.7	-53.7	0	0	0	0	111.3	Q99 L100 Q101 N106 Q107	Q99-T103 WeakPolarHBondContact O-CB 3.33Å; Q99-T103 PolarHBondContact O-N 3Å; Q99-T103 PolarHBondContact O-OG1 3.39Å; L100-T103 PolarHBondContact O-N 2.86Å; Q101-T103 VanDerWaalsContact C-N 3.3Å; Q101-T103 PolarHBondContact O-N 2.73Å; T103-N106 PolarHBondContact O-N 2.83Å; T103-Q107 WeakPolarHBondContact O-CG 3.31Å; T103-Q107 PolarHBondContact O-N 3.18Å
104	L	83.9	Confident	83.4	Confident	116 Å²	116	92.7 Å²	92.7	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-63.7	-44.7	175.8	-74.7	171.4	0	0	0	112	L100 Q101 N106 Q107 E108	L100-L104 PolarHBondContact O-N 2.89Å; Q101-L104 PolarHBondContact O-N 3.12Å; L104-N106 VanDerWaalsContact C-N 3.31Å; L104-N106 PolarHBondContact O-N 2.8Å; L104-Q107 CarbonylContact O-C 3.46Å; L104-Q107 PolarHBondContact O-N 3.28Å; L104-E108 WeakPolarHBondContact O-CB 3.41Å; L104-E108 PolarHBondContact O-N 3.17Å
105	I	83.8	Confident	83.8	Confident	56 Å²	56	91.7 Å²	91.7	29%	0.287	51%	0.505	S	S	.	.	H	α-helix	trans	-64.3	-39.1	177	-68	169.8	0	0	0	110.9	Q101 Q102 Q107 E108 K109	Q101-I105 HydrophobicContact CG-CD1 3.89Å; Q101-I105 WeakPolarHBondContact O-CG1 3.37Å; Q101-I105 PolarHBondContact O-N 3.18Å; Q102-I105 PolarHBondContact O-N 3.34Å; I105-Q107 VanDerWaalsContact C-N 3.28Å; I105-Q107 PolarHBondContact O-N 2.93Å; I105-E108 PolarHBondContact O-N 2.85Å; I105-K109 PolarHBondContact O-N 2.95Å
106	N	82.1	Confident	84	Confident	94 Å²	94	92.6 Å²	92.6	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-67.3	-28.6	176.9	-71.7	-9.6	0	0	0	112.2	Q102 T103 L104 P110	Q102-N106 PolarHBondContact NE2-OD1 3.32Å; Q102-N106 WeakPolarHBondContact O-CB 3.41Å; Q102-N106 PolarHBondContact O-N 3.38Å; Q102-N106 PolarHBondContact O-ND2 3.35Å; Q102-N106 PolarHBondContact O-OD1 3.41Å; T103-N106 PolarHBondContact O-N 2.83Å; L104-N106 VanDerWaalsContact C-N 3.31Å; L104-N106 PolarHBondContact O-N 2.8Å; N106-P110 WeakPolarHBondContact O-CD 3.45Å; N106-P110 WeakPolarHBondContact O-CG 3.37Å
107	Q	84.2	Confident	84.3	Confident	109 Å²	109	95 Å²	95	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-84.1	-35.2	173	-72.9	-177.6	-12.2	0	0	112.9	T103 L104 I105 K109 P110 I111	T103-Q107 WeakPolarHBondContact O-CG 3.31Å; T103-Q107 PolarHBondContact O-N 3.18Å; L104-Q107 CarbonylContact O-C 3.46Å; L104-Q107 PolarHBondContact O-N 3.28Å; I105-Q107 VanDerWaalsContact C-N 3.28Å; I105-Q107 PolarHBondContact O-N 2.93Å; Q107-K109 PolarHBondContact O-N 2.72Å; Q107-P110 VanDerWaalsContact O-CD 3.26Å; Q107-P110 WeakPolarHBondContact O-CD 3.41Å; Q107-P110 VanDerWaalsContact O-CG 3.31Å; Q107-P110 WeakPolarHBondContact O-CG 3.19Å; Q107-I111 HydrophobicContact CB-CD1 4.39Å; Q107-I111 WeakPolarHBondContact O-CB 3.46Å; Q107-I111 WeakPolarHBondContact O-CD1 3.1Å; Q107-I111 WeakPolarHBondContact O-CG1 3.36Å; Q107-I111 PolarHBondContact O-N 3.43Å
108	E	85.5	Confident	84.5	Confident	107 Å²	107	97.2 Å²	97.2	50%	0.5	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-45.5	-178.1	-172.1	-169.1	161.2	0	0	111.2	L104 I105 I111 K112	L104-E108 WeakPolarHBondContact O-CB 3.41Å; L104-E108 PolarHBondContact O-N 3.17Å; I105-E108 PolarHBondContact O-N 2.85Å; E108-I111 PolarHBondContact O-N 2.82Å; E108-K112 WeakPolarHBondContact O-CB 3.18Å; E108-K112 PolarHBondContact O-N 3.37Å; E108-K112 IonicContact OE1-NZ 2.65Å
109	K	81.9	Confident	84.6	Confident	147 Å²	147	97.1 Å²	97.1	64%	0.639	51%	0.512	S	S	*	.	H	α-helix	trans	-55.5	-54.1	-177.8	-72.9	-178.1	-179.2	-179	0	113.8	I105 Q107 A113	I105-K109 PolarHBondContact O-N 2.95Å; Q107-K109 PolarHBondContact O-N 2.72Å; K109-A113 WeakPolarHBondContact O-CB 3.16Å; K109-A113 PolarHBondContact O-N 3.26Å; K109-A113 VanDerWaalsContact O-N 3.14Å
110	P	86	Confident	84.9	Confident	71 Å²	71	93.8 Å²	93.8	46%	0.461	51%	0.507	S	S	.	.	H	α-helix	trans	-66.4	-36.7	178.1	24.9	-33.3	0	0	0	112.2	N106 Q107 S114	N106-P110 WeakPolarHBondContact O-CD 3.45Å; N106-P110 WeakPolarHBondContact O-CG 3.37Å; Q107-P110 VanDerWaalsContact O-CD 3.26Å; Q107-P110 WeakPolarHBondContact O-CD 3.41Å; Q107-P110 VanDerWaalsContact O-CG 3.31Å; Q107-P110 WeakPolarHBondContact O-CG 3.19Å; P110-S114 PolarHBondContact O-N 2.92Å; P110-S114 PolarHBondContact O-OG 3.35Å; P110-S114 VanDerWaalsContact O-OG 3.06Å
111	I	85.4	Confident	85.1	Confident	102 Å²	102	93.3 Å²	93.3	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-67.9	-44	179.7	-66.1	170.7	0	0	0	111	Q107 E108 A113 S114 V115	Q107-I111 HydrophobicContact CB-CD1 4.39Å; Q107-I111 WeakPolarHBondContact O-CB 3.46Å; Q107-I111 WeakPolarHBondContact O-CD1 3.1Å; Q107-I111 WeakPolarHBondContact O-CG1 3.36Å; Q107-I111 PolarHBondContact O-N 3.43Å; E108-I111 PolarHBondContact O-N 2.82Å; I111-A113 PolarHBondContact O-N 2.92Å; I111-S114 PolarHBondContact O-N 2.56Å; I111-V115 HydrophobicContact CG2-CG2 4.33Å; I111-V115 VanDerWaalsContact O-CG2 3.28Å; I111-V115 WeakPolarHBondContact O-CG2 3.21Å; I111-V115 PolarHBondContact O-N 3.32Å
112	K	86.7	Confident	85.2	Confident	135 Å²	135	92.2 Å²	92.2	59%	0.587	50%	0.502	S	S	*	.	H	α-helix	trans	-65.9	-38.9	-179.6	-169.4	174.6	-172.2	168.5	0	111.9	E108 V115 A116	E108-K112 WeakPolarHBondContact O-CB 3.18Å; E108-K112 PolarHBondContact O-N 3.37Å; E108-K112 IonicContact OE1-NZ 2.65Å; K112-V115 PolarHBondContact O-N 3.05Å; K112-A116 WeakPolarHBondContact O-CB 3.42Å; K112-A116 PolarHBondContact O-N 3.32Å
113	A	84.8	Confident	85.3	Confident	60 Å²	60	92.8 Å²	92.8	50%	0.496	51%	0.505	S	S	.	.	H	α-helix	trans	-62.3	-48.6	172.5	0	0	0	0	0	111.2	K109 I111 V115 A116 E117	K109-A113 WeakPolarHBondContact O-CB 3.16Å; K109-A113 PolarHBondContact O-N 3.26Å; K109-A113 VanDerWaalsContact O-N 3.14Å; I111-A113 PolarHBondContact O-N 2.92Å; A113-V115 VanDerWaalsContact C-N 3.33Å; A113-V115 PolarHBondContact O-N 2.66Å; A113-A116 PolarHBondContact O-N 2.94Å; A113-E117 WeakPolarHBondContact O-CB 3.39Å; A113-E117 PolarHBondContact O-N 3.07Å
114	S	85.8	Confident	85.4	Confident	67 Å²	67	92.1 Å²	92.1	47%	0.469	50%	0.503	S	S	.	.	H	α-helix	trans	-60.9	-39.6	177.1	-64.2	0	0	0	0	112.9	P110 I111 L118	P110-S114 PolarHBondContact O-N 2.92Å; P110-S114 PolarHBondContact O-OG 3.35Å; P110-S114 VanDerWaalsContact O-OG 3.06Å; I111-S114 PolarHBondContact O-N 2.56Å; S114-L118 WeakPolarHBondContact O-CB 3.44Å; S114-L118 PolarHBondContact O-N 3.46Å
115	V	86.3	Confident	85.6	Confident	77 Å²	77	91 Å²	91	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-67.4	-41.2	177.2	170.8	0	0	0	0	111.3	I111 K112 A113 L118 N119	I111-V115 HydrophobicContact CG2-CG2 4.33Å; I111-V115 VanDerWaalsContact O-CG2 3.28Å; I111-V115 WeakPolarHBondContact O-CG2 3.21Å; I111-V115 PolarHBondContact O-N 3.32Å; K112-V115 PolarHBondContact O-N 3.05Å; A113-V115 VanDerWaalsContact C-N 3.33Å; A113-V115 PolarHBondContact O-N 2.66Å; V115-L118 PolarHBondContact O-N 3.48Å; V115-N119 WeakPolarHBondContact O-CB 3.28Å; V115-N119 PolarHBondContact O-N 2.92Å
116	A	84.9	Confident	85.9	Confident	63 Å²	63	91.3 Å²	91.3	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-65	-42.3	176.9	0	0	0	0	0	111.8	K112 A113 N119 G120	K112-A116 WeakPolarHBondContact O-CB 3.42Å; K112-A116 PolarHBondContact O-N 3.32Å; A113-A116 PolarHBondContact O-N 2.94Å; A116-N119 PolarHBondContact O-N 2.84Å; A116-G120 PolarHBondContact O-N 3.44Å; A116-G120 VanDerWaalsContact O-N 3.07Å
117	E	87.1	Confident	86.1	Confident	130 Å²	130	91.9 Å²	91.9	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-64.9	-45	175.5	-172.8	-178.9	172.8	0	0	111.7	A113 N119 G120 N121	A113-E117 WeakPolarHBondContact O-CB 3.39Å; A113-E117 PolarHBondContact O-N 3.07Å; E117-N119 VanDerWaalsContact C-N 3.31Å; E117-N119 PolarHBondContact O-N 2.97Å; E117-G120 PolarHBondContact O-N 2.83Å; E117-N121 WeakPolarHBondContact O-CB 3.48Å; E117-N121 PolarHBondContact O-N 3.37Å; E117-N121 PolarHBondContact O-ND2 2.88Å
118	L	86.7	Confident	86.4	Confident	106 Å²	106	90.9 Å²	90.9	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-60.5	-42.3	176.6	-127.2	91.7	0	0	0	111.4	S114 V115 N121 I122	S114-L118 WeakPolarHBondContact O-CB 3.44Å; S114-L118 PolarHBondContact O-N 3.46Å; V115-L118 PolarHBondContact O-N 3.48Å; L118-N121 PolarHBondContact O-N 3.14Å; L118-I122 HydrophobicContact CD2-CD1 4.03Å; L118-I122 HydrophobicContact CG-CD1 4.42Å; L118-I122 VanDerWaalsContact O-CB 3.28Å; L118-I122 WeakPolarHBondContact O-CB 3.36Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 2.91Å
119	N	86.2	Confident	86.6	Confident	94 Å²	94	89.2 Å²	89.2	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-64.5	-41.7	178.5	-80.2	-16.3	0	0	0	111.7	V115 A116 E117 I122 Q123	V115-N119 WeakPolarHBondContact O-CB 3.28Å; V115-N119 PolarHBondContact O-N 2.92Å; A116-N119 PolarHBondContact O-N 2.84Å; E117-N119 VanDerWaalsContact C-N 3.31Å; E117-N119 PolarHBondContact O-N 2.97Å; N119-I122 PolarHBondContact O-N 3.34Å; N119-Q123 WeakPolarHBondContact O-CB 3.49Å; N119-Q123 PolarHBondContact O-N 2.64Å
120	G	85.4	Confident	87	Confident	39 Å²	39	85 Å²	85	40%	0.402	50%	0.498	S	S	.	.	H	α-helix	trans	-63.3	-41.9	174.8	0	0	0	0	0	112.9	A116 E117 Q123 S124	A116-G120 PolarHBondContact O-N 3.44Å; A116-G120 VanDerWaalsContact O-N 3.07Å; E117-G120 PolarHBondContact O-N 2.83Å; G120-Q123 PolarHBondContact O-N 3.27Å; G120-S124 WeakPolarHBondContact O-CB 3.3Å; G120-S124 PolarHBondContact O-N 2.89Å; G120-S124 PolarHBondContact O-OG 2.96Å
121	N	87.6	Confident	87.2	Confident	89 Å²	89	84.6 Å²	84.6	48%	0.476	49%	0.494	S	S	.	.	H	α-helix	trans	-68.6	-42.8	177.1	-70.2	-20.5	0	0	0	111.8	E117 L118 Q123 S124 V125	E117-N121 WeakPolarHBondContact O-CB 3.48Å; E117-N121 PolarHBondContact O-N 3.37Å; E117-N121 PolarHBondContact O-ND2 2.88Å; L118-N121 PolarHBondContact O-N 3.14Å; N121-Q123 VanDerWaalsContact C-N 3.32Å; N121-Q123 PolarHBondContact O-N 3.43Å; N121-S124 PolarHBondContact O-OG 3.26Å; N121-V125 VanDerWaalsContact O-CB 3.29Å; N121-V125 WeakPolarHBondContact O-CB 3.36Å; N121-V125 WeakPolarHBondContact O-CG2 2.95Å; N121-V125 PolarHBondContact O-N 3.15Å
122	I	88.1	Confident	87.6	Confident	99 Å²	99	83.6 Å²	83.6	51%	0.508	49%	0.493	S	S	.	.	H	α-helix	trans	-62.4	-42	175.2	-74.9	167.8	0	0	0	110.4	L118 N119 S126	L118-I122 HydrophobicContact CD2-CD1 4.03Å; L118-I122 HydrophobicContact CG-CD1 4.42Å; L118-I122 VanDerWaalsContact O-CB 3.28Å; L118-I122 WeakPolarHBondContact O-CB 3.36Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 2.91Å; N119-I122 PolarHBondContact O-N 3.34Å; I122-S126 WeakPolarHBondContact O-CA 3.35Å; I122-S126 WeakPolarHBondContact O-CB 3.46Å; I122-S126 PolarHBondContact O-N 2.93Å
123	Q	85.1	Confident	87.9	Confident	117 Å²	117	83.8 Å²	83.8	55%	0.547	49%	0.494	S	S	.	.	H	α-helix	trans	-67.8	-47.1	-178.6	-171.8	166.5	-7.8	0	0	111.6	N119 G120 N121 V125 S126 E127	N119-Q123 WeakPolarHBondContact O-CB 3.49Å; N119-Q123 PolarHBondContact O-N 2.64Å; G120-Q123 PolarHBondContact O-N 3.27Å; N121-Q123 VanDerWaalsContact C-N 3.32Å; N121-Q123 PolarHBondContact O-N 3.43Å; Q123-V125 PolarHBondContact O-N 3.22Å; Q123-S126 PolarHBondContact O-N 3.24Å; Q123-E127 HydrophobicContact CG-CG 4.47Å; Q123-E127 VanDerWaalsContact CG-OE1 3.31Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.22Å; Q123-E127 PolarHBondContact NE2-OE1 3.29Å; Q123-E127 WeakPolarHBondContact O-CB 3.33Å; Q123-E127 VanDerWaalsContact O-CG 3.26Å; Q123-E127 WeakPolarHBondContact O-CG 3.23Å; Q123-E127 PolarHBondContact O-N 3.3Å
124	S	85.8	Confident	88.2	Confident	56 Å²	56	87 Å²	87	39%	0.392	50%	0.499	S	S	.	.	H	α-helix	trans	-63.4	-40.2	176.1	56.3	0	0	0	0	113.3	G120 N121 T128	G120-S124 WeakPolarHBondContact O-CB 3.3Å; G120-S124 PolarHBondContact O-N 2.89Å; G120-S124 PolarHBondContact O-OG 2.96Å; N121-S124 PolarHBondContact O-OG 3.26Å; S124-T128 WeakPolarHBondContact O-CG2 3.22Å; S124-T128 PolarHBondContact O-N 3.41Å; S124-T128 VanDerWaalsContact O-N 3.11Å; S124-T128 PolarHBondContact O-OG1 2.89Å
125	V	88.8	Confident	88.6	Confident	93 Å²	93	91.1 Å²	91.1	56%	0.564	51%	0.505	S	S	*	.	H	α-helix	trans	-69.8	-36.7	174.5	173.6	0	0	0	0	111.4	N121 Q123 T128 S129	N121-V125 VanDerWaalsContact O-CB 3.29Å; N121-V125 WeakPolarHBondContact O-CB 3.36Å; N121-V125 WeakPolarHBondContact O-CG2 2.95Å; N121-V125 PolarHBondContact O-N 3.15Å; Q123-V125 PolarHBondContact O-N 3.22Å; V125-T128 WeakPolarHBondContact CA-OG1 3.28Å; V125-T128 PolarHBondContact O-OG1 2.88Å; V125-T128 VanDerWaalsContact O-OG1 3.05Å; V125-S129 WeakPolarHBondContact O-CB 3.34Å; V125-S129 PolarHBondContact O-N 3.03Å
126	S	88.4	Confident	88.9	Confident	62 Å²	62	92.6 Å²	92.6	43%	0.434	51%	0.51	S	S	.	.	H	α-helix	trans	-69	-41.2	177.7	-175.8	0	0	0	0	111.7	I122 Q123 S130	I122-S126 WeakPolarHBondContact O-CA 3.35Å; I122-S126 WeakPolarHBondContact O-CB 3.46Å; I122-S126 PolarHBondContact O-N 2.93Å; Q123-S126 PolarHBondContact O-N 3.24Å; S126-S130 WeakPolarHBondContact O-CB 3.38Å; S126-S130 PolarHBondContact O-N 2.82Å; S126-S130 PolarHBondContact O-OG 3.08Å
127	E	88.1	Confident	89.3	Confident	107 Å²	107	92.1 Å²	92.1	50%	0.5	50%	0.5	S	S	.	.	H	α-helix	trans	-64.5	-47.2	176.9	-76.2	172	-170	0	0	111.2	Q123 S130 T131	Q123-E127 HydrophobicContact CG-CG 4.47Å; Q123-E127 VanDerWaalsContact CG-OE1 3.31Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.22Å; Q123-E127 PolarHBondContact NE2-OE1 3.29Å; Q123-E127 WeakPolarHBondContact O-CB 3.33Å; Q123-E127 VanDerWaalsContact O-CG 3.26Å; Q123-E127 WeakPolarHBondContact O-CG 3.23Å; Q123-E127 PolarHBondContact O-N 3.3Å; E127-S130 PolarHBondContact O-N 3.24Å; E127-T131 WeakPolarHBondContact O-CB 3.48Å; E127-T131 PolarHBondContact O-N 3.15Å; E127-T131 PolarHBondContact O-OG1 2.73Å
128	T	89.9	Confident	89.6	Confident	87 Å²	87	90.4 Å²	90.4	53%	0.534	50%	0.495	S	S	.	.	H	α-helix	trans	-65.8	-41.7	176.9	49.8	0	0	0	0	112.5	S124 V125 T131 T132	S124-T128 WeakPolarHBondContact O-CG2 3.22Å; S124-T128 PolarHBondContact O-N 3.41Å; S124-T128 VanDerWaalsContact O-N 3.11Å; S124-T128 PolarHBondContact O-OG1 2.89Å; V125-T128 WeakPolarHBondContact CA-OG1 3.28Å; V125-T128 PolarHBondContact O-OG1 2.88Å; V125-T128 VanDerWaalsContact O-OG1 3.05Å; T128-T131 PolarHBondContact O-N 3.31Å; T128-T132 WeakPolarHBondContact O-CB 3.37Å; T128-T132 PolarHBondContact O-N 2.8Å; T128-T132 PolarHBondContact O-OG1 2.98Å
129	S	90.6	Very high	90	Very high	73 Å²	73	90.1 Å²	90.1	51%	0.51	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-45.1	174.8	-176.7	0	0	0	0	111.9	V125 T132 F133	V125-S129 WeakPolarHBondContact O-CB 3.34Å; V125-S129 PolarHBondContact O-N 3.03Å; S129-T132 PolarHBondContact O-N 3.17Å; S129-F133 WeakPolarHBondContact O-CB 3.47Å; S129-F133 PolarHBondContact O-N 3.43Å
130	S	88.9	Confident	90.4	Very high	57 Å²	57	91.5 Å²	91.5	40%	0.399	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-44.4	178.4	-61.2	0	0	0	0	111.6	S126 E127 F133 Q134	S126-S130 WeakPolarHBondContact O-CB 3.38Å; S126-S130 PolarHBondContact O-N 2.82Å; S126-S130 PolarHBondContact O-OG 3.08Å; E127-S130 PolarHBondContact O-N 3.24Å; S130-F133 PolarHBondContact O-N 3.27Å; S130-Q134 WeakPolarHBondContact O-CG 3.17Å; S130-Q134 PolarHBondContact O-N 3.01Å
131	T	91.3	Very high	90.8	Very high	64 Å²	64	93.6 Å²	93.6	39%	0.393	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-44.4	176.7	-54.7	0	0	0	0	110.9	E127 T128 F133 Q134 Y135	E127-T131 WeakPolarHBondContact O-CB 3.48Å; E127-T131 PolarHBondContact O-N 3.15Å; E127-T131 PolarHBondContact O-OG1 2.73Å; T128-T131 PolarHBondContact O-N 3.31Å; T131-F133 VanDerWaalsContact C-N 3.34Å; T131-F133 PolarHBondContact O-N 2.91Å; T131-Q134 WeakPolarHBondContact O-CB 3.31Å; T131-Q134 PolarHBondContact O-N 3.13Å; T131-Y135 HydrophobicContact CG2-CD2 3.85Å; T131-Y135 HydrophobicContact CG2-CE2 3.63Å; T131-Y135 VanDerWaalsContact O-CD2 3.25Å; T131-Y135 WeakPolarHBondContact O-CD2 3.4Å; T131-Y135 PolarHBondContact O-N 3.01Å
132	T	92.4	Very high	91.1	Very high	80 Å²	80	94 Å²	94	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-63.3	-40.5	177.4	-55.9	0	0	0	0	111.7	T128 S129 Y135 L136	T128-T132 WeakPolarHBondContact O-CB 3.37Å; T128-T132 PolarHBondContact O-N 2.8Å; T128-T132 PolarHBondContact O-OG1 2.98Å; S129-T132 PolarHBondContact O-N 3.17Å; T132-Y135 PolarHBondContact O-N 3.38Å; T132-L136 HydrophobicContact CG2-CD1 4.22Å; T132-L136 WeakPolarHBondContact O-CG 3.36Å; T132-L136 PolarHBondContact O-N 3.45Å
133	F	93.1	Very high	91.4	Very high	140 Å²	140	97 Å²	97	61%	0.614	50%	0.502	S	S	*	.	H	α-helix	trans	-63.5	-40.2	175.7	-172.9	-95.2	0	0	0	112.1	S129 S130 T131 L136 T137	S129-F133 WeakPolarHBondContact O-CB 3.47Å; S129-F133 PolarHBondContact O-N 3.43Å; S130-F133 PolarHBondContact O-N 3.27Å; T131-F133 VanDerWaalsContact C-N 3.34Å; T131-F133 PolarHBondContact O-N 2.91Å; F133-L136 PolarHBondContact O-N 3.19Å; F133-T137 HydrophobicContact CD1-CG2 4.25Å; F133-T137 HydrophobicContact CE1-CG2 3.87Å; F133-T137 HydrophobicContact CZ-CG2 4.11Å; F133-T137 WeakPolarHBondContact O-CG2 3.22Å; F133-T137 PolarHBondContact O-N 3.32Å; F133-T137 PolarHBondContact O-OG1 3.16Å
134	Q	92.3	Very high	91.8	Very high	128 Å²	128	96.5 Å²	96.5	60%	0.598	50%	0.498	S	S	*	.	H	α-helix	trans	-63.2	-43.4	173.7	-72.9	175.7	-1.3	0	0	112.1	S130 T131 T137 L138	S130-Q134 WeakPolarHBondContact O-CG 3.17Å; S130-Q134 PolarHBondContact O-N 3.01Å; T131-Q134 WeakPolarHBondContact O-CB 3.31Å; T131-Q134 PolarHBondContact O-N 3.13Å; Q134-T137 WeakPolarHBondContact CA-OG1 3.48Å; Q134-T137 PolarHBondContact O-N 3.42Å; Q134-T137 PolarHBondContact O-OG1 3.25Å; Q134-L138 WeakPolarHBondContact O-CB 3.49Å; Q134-L138 PolarHBondContact O-N 3.3Å
135	Y	93.3	Very high	92.2	Very high	153 Å²	153	101.5 Å²	101.5	60%	0.6	51%	0.513	S	S	*	.	H	α-helix	trans	-64.4	-42.9	175.7	-83.8	-68.9	0	0	0	112.6	T131 T132 T137 L138 L139	T131-Y135 HydrophobicContact CG2-CD2 3.85Å; T131-Y135 HydrophobicContact CG2-CE2 3.63Å; T131-Y135 VanDerWaalsContact O-CD2 3.25Å; T131-Y135 WeakPolarHBondContact O-CD2 3.4Å; T131-Y135 PolarHBondContact O-N 3.01Å; T132-Y135 PolarHBondContact O-N 3.38Å; Y135-T137 VanDerWaalsContact C-N 3.34Å; Y135-T137 PolarHBondContact O-N 3.5Å; Y135-L138 PolarHBondContact O-N 3.34Å; Y135-L139 WeakPolarHBondContact O-CB 3.42Å; Y135-L139 VanDerWaalsContact O-CG 3.3Å; Y135-L139 WeakPolarHBondContact O-CG 3.31Å; Y135-L139 PolarHBondContact O-N 3Å
136	L	93.4	Very high	92.5	Very high	108 Å²	108	104.2 Å²	104.2	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-64.1	-39.1	178	-74.7	172.7	0	0	0	112.2	T132 F133 K140	T132-L136 HydrophobicContact CG2-CD1 4.22Å; T132-L136 WeakPolarHBondContact O-CG 3.36Å; T132-L136 PolarHBondContact O-N 3.45Å; F133-L136 PolarHBondContact O-N 3.19Å; L136-K140 WeakPolarHBondContact O-CB 3.47Å; L136-K140 PolarHBondContact O-N 3.42Å
137	T	92.3	Very high	92.7	Very high	52 Å²	52	106.5 Å²	106.5	32%	0.319	52%	0.521	S	S	.	.	H	α-helix	trans	-67.7	-43.9	175.5	45.6	0	0	0	0	111.5	F133 Q134 Y135 L139 K140 D141	F133-T137 HydrophobicContact CD1-CG2 4.25Å; F133-T137 HydrophobicContact CE1-CG2 3.87Å; F133-T137 HydrophobicContact CZ-CG2 4.11Å; F133-T137 WeakPolarHBondContact O-CG2 3.22Å; F133-T137 PolarHBondContact O-N 3.32Å; F133-T137 PolarHBondContact O-OG1 3.16Å; Q134-T137 WeakPolarHBondContact CA-OG1 3.48Å; Q134-T137 PolarHBondContact O-N 3.42Å; Q134-T137 PolarHBondContact O-OG1 3.25Å; Y135-T137 VanDerWaalsContact C-N 3.34Å; Y135-T137 PolarHBondContact O-N 3.5Å; T137-L139 PolarHBondContact O-N 3.41Å; T137-K140 WeakPolarHBondContact O-CB 3.29Å; T137-K140 PolarHBondContact O-N 2.77Å; T137-D141 PolarHBondContact O-N 3.27Å
138	L	94.6	Very high	92.9	Very high	95 Å²	95	103.9 Å²	103.9	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-58.8	-48.4	174.3	-176.9	70	0	0	0	112	Q134 Y135 K140 D141 M142	Q134-L138 WeakPolarHBondContact O-CB 3.49Å; Q134-L138 PolarHBondContact O-N 3.3Å; Y135-L138 PolarHBondContact O-N 3.34Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.05Å; L138-D141 PolarHBondContact O-N 3.44Å; L138-M142 HydrophobicContact CG-CE 4.33Å; L138-M142 WeakPolarHBondContact O-CG 3.2Å; L138-M142 PolarHBondContact O-N 2.79Å
139	L	94.2	Very high	93.1	Very high	99 Å²	99	105.4 Å²	105.4	52%	0.518	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-41.3	177.9	-73.7	171.9	0	0	0	111.5	Y135 T137 M142 W143	Y135-L139 WeakPolarHBondContact O-CB 3.42Å; Y135-L139 VanDerWaalsContact O-CG 3.3Å; Y135-L139 WeakPolarHBondContact O-CG 3.31Å; Y135-L139 PolarHBondContact O-N 3Å; T137-L139 PolarHBondContact O-N 3.41Å; L139-M142 HydrophobicContact CD2-CE 3.69Å; L139-M142 PolarHBondContact O-N 2.83Å; L139-W143 VanDerWaalsContact O-CB 3.22Å; L139-W143 WeakPolarHBondContact O-CB 3.38Å; L139-W143 PolarHBondContact O-N 2.82Å
140	K	94.5	Very high	93.2	Very high	123 Å²	123	104.6 Å²	104.6	54%	0.535	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-42.8	175.7	-179	178.8	-179.4	177.9	0	111.7	L136 T137 L138 W143 K144	L136-K140 WeakPolarHBondContact O-CB 3.47Å; L136-K140 PolarHBondContact O-N 3.42Å; T137-K140 WeakPolarHBondContact O-CB 3.29Å; T137-K140 PolarHBondContact O-N 2.77Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.05Å; K140-W143 PolarHBondContact O-N 3.5Å; K140-K144 WeakPolarHBondContact O-CB 3.29Å; K140-K144 WeakPolarHBondContact O-CG 3.26Å; K140-K144 PolarHBondContact O-N 2.83Å
141	D	94.2	Very high	93.4	Very high	84 Å²	84	108.5 Å²	108.5	45%	0.449	53%	0.527	S	S	.	.	H	α-helix	trans	-71.3	-40.4	179.8	-73.5	-15.2	0	0	0	112	T137 L138 W143 K144 K145	T137-D141 PolarHBondContact O-N 3.27Å; L138-D141 PolarHBondContact O-N 3.44Å; D141-W143 VanDerWaalsContact C-N 3.33Å; D141-W143 PolarHBondContact O-N 3.44Å; D141-K144 PolarHBondContact O-N 3.41Å; D141-K145 WeakPolarHBondContact O-CG 3.44Å; D141-K145 PolarHBondContact O-N 2.9Å
142	M	94.1	Very high	93.5	Very high	96 Å²	96	110.1 Å²	110.1	47%	0.473	53%	0.533	S	S	.	.	H	α-helix	trans	-61.6	-41.6	171.3	-71.3	-165.7	-58.1	0	0	111.7	L138 L139 K145 K146	L138-M142 HydrophobicContact CG-CE 4.33Å; L138-M142 WeakPolarHBondContact O-CG 3.2Å; L138-M142 PolarHBondContact O-N 2.79Å; L139-M142 HydrophobicContact CD2-CE 3.69Å; L139-M142 PolarHBondContact O-N 2.83Å; M142-K145 PolarHBondContact O-N 2.78Å; M142-K146 WeakPolarHBondContact O-CB 3.32Å; M142-K146 PolarHBondContact O-N 2.75Å
143	W	94.3	Very high	93.5	Very high	162 Å²	162	110.3 Å²	110.3	61%	0.614	53%	0.531	S	S	*	.	H	α-helix	trans	-65.7	-42.8	177.8	-171.9	86.6	0	0	0	111.8	L139 K140 D141 K145 K146 Q147	L139-W143 VanDerWaalsContact O-CB 3.22Å; L139-W143 WeakPolarHBondContact O-CB 3.38Å; L139-W143 PolarHBondContact O-N 2.82Å; K140-W143 PolarHBondContact O-N 3.5Å; D141-W143 VanDerWaalsContact C-N 3.33Å; D141-W143 PolarHBondContact O-N 3.44Å; W143-K145 PolarHBondContact O-N 2.8Å; W143-K146 PolarHBondContact O-N 3.07Å; W143-Q147 WeakPolarHBondContact O-CB 3.42Å; W143-Q147 PolarHBondContact O-N 2.98Å
144	K	94.1	Very high	93.6	Very high	108 Å²	108	109.1 Å²	109.1	47%	0.47	53%	0.527	S	S	.	.	H	α-helix	trans	-59.3	-43.6	172.6	-79.1	178.2	174.4	-176.8	0	112.3	K140 D141 Q147 A148	K140-K144 WeakPolarHBondContact O-CB 3.29Å; K140-K144 WeakPolarHBondContact O-CG 3.26Å; K140-K144 PolarHBondContact O-N 2.83Å; D141-K144 PolarHBondContact O-N 3.41Å; K144-Q147 PolarHBondContact O-N 2.82Å; K144-A148 WeakPolarHBondContact O-CB 3.32Å; K144-A148 PolarHBondContact O-N 3.01Å
145	K	93.9	Very high	93.6	Very high	160 Å²	160	107.3 Å²	107.3	70%	0.696	52%	0.522	S	S	*	.	H	α-helix	trans	-62.2	-44.7	175.7	-74.5	179	-179.3	-177.9	0	111.5	D141 M142 W143 Q147 A148 Q149	D141-K145 WeakPolarHBondContact O-CG 3.44Å; D141-K145 PolarHBondContact O-N 2.9Å; M142-K145 PolarHBondContact O-N 2.78Å; W143-K145 PolarHBondContact O-N 2.8Å; K145-Q147 VanDerWaalsContact C-N 3.32Å; K145-Q147 PolarHBondContact O-N 2.78Å; K145-A148 PolarHBondContact O-N 2.87Å; K145-Q149 WeakPolarHBondContact O-CB 3.23Å; K145-Q149 PolarHBondContact O-N 2.99Å
146	K	93.6	Very high	93.6	Very high	151 Å²	151	103.2 Å²	103.2	66%	0.657	51%	0.512	S	S	*	.	H	α-helix	trans	-63.4	-38.6	176.3	-171.5	172.9	-177.7	175.4	0	112	M142 W143 A150	M142-K146 WeakPolarHBondContact O-CB 3.32Å; M142-K146 PolarHBondContact O-N 2.75Å; W143-K146 PolarHBondContact O-N 3.07Å; K146-A150 WeakPolarHBondContact O-CB 3.36Å; K146-A150 PolarHBondContact O-N 2.87Å
147	Q	93.3	Very high	93.7	Very high	109 Å²	109	103 Å²	103	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-66.2	-42.6	175.7	-171.2	-177.5	18.3	0	0	111.7	W143 K144 K145 A150 K151	W143-Q147 WeakPolarHBondContact O-CB 3.42Å; W143-Q147 PolarHBondContact O-N 2.98Å; K144-Q147 PolarHBondContact O-N 2.82Å; K145-Q147 VanDerWaalsContact C-N 3.32Å; K145-Q147 PolarHBondContact O-N 2.78Å; Q147-A150 PolarHBondContact O-N 3.15Å; Q147-K151 PolarHBondContact O-N 2.87Å; Q147-K151 VanDerWaalsContact O-N 3.13Å
148	A	92.7	Very high	93.8	Very high	52 Å²	52	105 Å²	105	43%	0.43	52%	0.519	S	S	.	.	H	α-helix	trans	-62.3	-47.9	174.4	0	0	0	0	0	111.2	K144 K145 A150 K151 D152	K144-A148 WeakPolarHBondContact O-CB 3.32Å; K144-A148 PolarHBondContact O-N 3.01Å; K145-A148 PolarHBondContact O-N 2.87Å; A148-A150 VanDerWaalsContact C-N 3.32Å; A148-A150 PolarHBondContact O-N 3.26Å; A148-K151 WeakPolarHBondContact O-CB 3.34Å; A148-K151 PolarHBondContact O-N 3.09Å; A148-K151 VanDerWaalsContact O-N 3.11Å; A148-D152 PolarHBondContact O-N 2.89Å
149	Q	93.8	Very high	93.8	Very high	119 Å²	119	106.4 Å²	106.4	56%	0.556	52%	0.523	S	S	*	.	H	α-helix	trans	-59.7	-40.6	176.3	-173.8	-176.1	13.4	0	0	112.4	K145 K151 D152 N153	K145-Q149 WeakPolarHBondContact O-CB 3.23Å; K145-Q149 PolarHBondContact O-N 2.99Å; Q149-K151 VanDerWaalsContact C-N 3.29Å; Q149-K151 PolarHBondContact O-N 3.43Å; Q149-D152 PolarHBondContact O-N 3.11Å; Q149-N153 WeakPolarHBondContact O-CB 3.47Å; Q149-N153 VanDerWaalsContact O-CG 3.25Å; Q149-N153 PolarHBondContact O-N 3.46Å; Q149-N153 PolarHBondContact O-OD1 2.85Å
150	A	93.2	Very high	93.8	Very high	57 Å²	57	109.6 Å²	109.6	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-62.2	-39.3	176.8	0	0	0	0	0	111.7	K146 Q147 A148 N153 E154	K146-A150 WeakPolarHBondContact O-CB 3.36Å; K146-A150 PolarHBondContact O-N 2.87Å; Q147-A150 PolarHBondContact O-N 3.15Å; A148-A150 VanDerWaalsContact C-N 3.32Å; A148-A150 PolarHBondContact O-N 3.26Å; A150-N153 PolarHBondContact O-N 2.82Å; A150-E154 PolarHBondContact O-N 2.92Å
151	K	92.1	Very high	93.8	Very high	139 Å²	139	106.3 Å²	106.3	60%	0.604	52%	0.522	S	S	*	.	H	α-helix	trans	-67.8	-39.9	176	-169.5	-179.5	-179.9	-175.8	0	112.3	Q147 A148 Q149 E154 N155	Q147-K151 PolarHBondContact O-N 2.87Å; Q147-K151 VanDerWaalsContact O-N 3.13Å; A148-K151 WeakPolarHBondContact O-CB 3.34Å; A148-K151 PolarHBondContact O-N 3.09Å; A148-K151 VanDerWaalsContact O-N 3.11Å; Q149-K151 VanDerWaalsContact C-N 3.29Å; Q149-K151 PolarHBondContact O-N 3.43Å; K151-E154 WeakPolarHBondContact O-CB 3.18Å; K151-E154 PolarHBondContact O-N 2.98Å; K151-N155 PolarHBondContact O-N 3.17Å
152	D	93.9	Very high	93.9	Very high	97 Å²	97	105.2 Å²	105.2	52%	0.519	52%	0.521	S	S	.	.	H	α-helix	trans	-65.8	-42.4	176.1	-66.3	-21.5	0	0	0	111.1	A148 Q149 E154 N155 V156	A148-D152 PolarHBondContact O-N 2.89Å; Q149-D152 PolarHBondContact O-N 3.11Å; D152-E154 VanDerWaalsContact C-N 3.31Å; D152-E154 PolarHBondContact O-N 3.11Å; D152-N155 PolarHBondContact O-N 3.01Å; D152-V156 WeakPolarHBondContact O-CG2 3.24Å; D152-V156 PolarHBondContact O-N 2.76Å; D152-V156 VanDerWaalsContact O-N 3.11Å
153	N	93.2	Very high	93.9	Very high	84 Å²	84	104.4 Å²	104.4	45%	0.449	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-37.2	175	-72.8	-3.6	0	0	0	112.4	Q149 A150 V156 I157	Q149-N153 WeakPolarHBondContact O-CB 3.47Å; Q149-N153 VanDerWaalsContact O-CG 3.25Å; Q149-N153 PolarHBondContact O-N 3.46Å; Q149-N153 PolarHBondContact O-OD1 2.85Å; A150-N153 PolarHBondContact O-N 2.82Å; N153-V156 PolarHBondContact O-N 3.29Å; N153-I157 VanDerWaalsContact O-CG1 3.26Å; N153-I157 WeakPolarHBondContact O-CG1 3.46Å; N153-I157 PolarHBondContact O-N 2.95Å
154	E	93.9	Very high	94	Very high	115 Å²	115	102.2 Å²	102.2	54%	0.537	52%	0.517	S	S	.	.	H	α-helix	trans	-61.2	-43.9	176	-173	-179.7	178.2	0	0	111.4	A150 K151 D152 V156 I157 N158	A150-E154 PolarHBondContact O-N 2.92Å; K151-E154 WeakPolarHBondContact O-CB 3.18Å; K151-E154 PolarHBondContact O-N 2.98Å; D152-E154 VanDerWaalsContact C-N 3.31Å; D152-E154 PolarHBondContact O-N 3.11Å; E154-V156 PolarHBondContact O-N 3Å; E154-I157 PolarHBondContact O-N 2.97Å; E154-N158 VanDerWaalsContact O-CG 3.23Å; E154-N158 PolarHBondContact O-N 2.81Å; E154-N158 PolarHBondContact O-ND2 3.28Å
155	N	92.8	Very high	94.1	Very high	91 Å²	91	103 Å²	103	49%	0.487	52%	0.523	S	S	.	.	H	α-helix	trans	-61.6	-44.4	175.7	-67.7	-23.8	0	0	0	111.8	K151 D152 I157 N158 E159	K151-N155 PolarHBondContact O-N 3.17Å; D152-N155 PolarHBondContact O-N 3.01Å; N155-I157 PolarHBondContact O-N 2.07Å; N155-N158 PolarHBondContact O-N 2.83Å; N155-E159 PolarHBondContact O-N 2.81Å
156	V	94.3	Very high	94.1	Very high	66 Å²	66	100.1 Å²	100.1	40%	0.4	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-43.5	178.7	174.1	0	0	0	0	110.9	D152 N153 E154 N158 E159 Y160	D152-V156 WeakPolarHBondContact O-CG2 3.24Å; D152-V156 PolarHBondContact O-N 2.76Å; D152-V156 VanDerWaalsContact O-N 3.11Å; N153-V156 PolarHBondContact O-N 3.29Å; E154-V156 PolarHBondContact O-N 3Å; V156-N158 VanDerWaalsContact C-N 3.31Å; V156-N158 PolarHBondContact O-N 3.49Å; V156-E159 PolarHBondContact O-N 2.91Å; V156-Y160 HydrophobicContact CG1-CD2 3.54Å; V156-Y160 HydrophobicContact CG1-CE2 3.48Å; V156-Y160 VanDerWaalsContact CG1-CE2 3.48Å; V156-Y160 VanDerWaalsContact O-CD2 3.25Å; V156-Y160 WeakPolarHBondContact O-CD2 3.34Å; V156-Y160 PolarHBondContact O-N 3.24Å
157	I	95.1	Very high	94.2	Very high	104 Å²	104	98.5 Å²	98.5	53%	0.533	51%	0.51	S	S	.	.	H	α-helix	trans	-60.7	-42.8	176.6	-69.9	165.2	0	0	0	110.9	N153 E154 N155 Y160 S161	N153-I157 VanDerWaalsContact O-CG1 3.26Å; N153-I157 WeakPolarHBondContact O-CG1 3.46Å; N153-I157 PolarHBondContact O-N 2.95Å; E154-I157 PolarHBondContact O-N 2.97Å; N155-I157 PolarHBondContact O-N 2.07Å; I157-Y160 PolarHBondContact O-N 2.96Å; I157-S161 VanDerWaalsContact O-CB 3.31Å; I157-S161 WeakPolarHBondContact O-CB 3.24Å; I157-S161 PolarHBondContact O-N 3.38Å; I157-S161 PolarHBondContact O-OG 3.08Å
158	N	93.3	Very high	94.4	Very high	93 Å²	93	102.2 Å²	102.2	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-64.6	-41.2	178.2	-68.2	-25.2	0	0	0	111.7	E154 N155 V156 S161 S162	E154-N158 VanDerWaalsContact O-CG 3.23Å; E154-N158 PolarHBondContact O-N 2.81Å; E154-N158 PolarHBondContact O-ND2 3.28Å; N155-N158 PolarHBondContact O-N 2.83Å; V156-N158 VanDerWaalsContact C-N 3.31Å; V156-N158 PolarHBondContact O-N 3.49Å; N158-S161 PolarHBondContact O-N 2.97Å; N158-S162 WeakPolarHBondContact O-CB 3.32Å; N158-S162 PolarHBondContact O-N 2.89Å
159	E	94.5	Very high	94.5	Very high	126 Å²	126	104.9 Å²	104.9	59%	0.589	53%	0.526	S	S	*	.	H	α-helix	trans	-63.6	-48.8	176.4	-172.7	176.5	-175.6	0	0	111.7	N155 V156 S161 S162 I163	N155-E159 PolarHBondContact O-N 2.81Å; V156-E159 PolarHBondContact O-N 2.91Å; E159-S161 VanDerWaalsContact C-N 3.28Å; E159-S161 PolarHBondContact O-N 3.32Å; E159-S162 PolarHBondContact O-N 3.01Å; E159-I163 HydrophobicContact CG-CD1 4.15Å; E159-I163 WeakPolarHBondContact O-CG1 3.47Å; E159-I163 PolarHBondContact O-N 3.39Å
160	Y	94.6	Very high	94.6	Very high	166 Å²	166	106.7 Å²	106.7	65%	0.651	53%	0.529	S	S	*	.	H	α-helix	trans	-60.5	-38.1	174.8	-85.2	-72	0	0	0	112.4	V156 I157 L164	V156-Y160 HydrophobicContact CG1-CD2 3.54Å; V156-Y160 HydrophobicContact CG1-CE2 3.48Å; V156-Y160 VanDerWaalsContact CG1-CE2 3.48Å; V156-Y160 VanDerWaalsContact O-CD2 3.25Å; V156-Y160 WeakPolarHBondContact O-CD2 3.34Å; V156-Y160 PolarHBondContact O-N 3.24Å; I157-Y160 PolarHBondContact O-N 2.96Å; Y160-L164 VanDerWaalsContact O-CB 3.3Å; Y160-L164 WeakPolarHBondContact O-CB 3.47Å; Y160-L164 PolarHBondContact O-N 3.04Å
161	S	95.1	Very high	94.8	Very high	54 Å²	54	109 Å²	109	38%	0.378	53%	0.532	S	S	.	.	H	α-helix	trans	-65.7	-43.2	177.4	-58.2	0	0	0	0	111.2	I157 N158 E159 L164 E165	I157-S161 VanDerWaalsContact O-CB 3.31Å; I157-S161 WeakPolarHBondContact O-CB 3.24Å; I157-S161 PolarHBondContact O-N 3.38Å; I157-S161 PolarHBondContact O-OG 3.08Å; N158-S161 PolarHBondContact O-N 2.97Å; E159-S161 VanDerWaalsContact C-N 3.28Å; E159-S161 PolarHBondContact O-N 3.32Å; S161-L164 PolarHBondContact O-N 2.9Å; S161-E165 WeakPolarHBondContact O-CG 3.37Å; S161-E165 PolarHBondContact O-N 3.11Å
162	S	95.5	Very high	95	Very high	61 Å²	61	106.2 Å²	106.2	43%	0.427	52%	0.523	S	S	.	.	H	α-helix	trans	-61.3	-46.8	175.8	-171	0	0	0	0	111.8	N158 E159 L164 E165 D166	N158-S162 WeakPolarHBondContact O-CB 3.32Å; N158-S162 PolarHBondContact O-N 2.89Å; E159-S162 PolarHBondContact O-N 3.01Å; S162-L164 VanDerWaalsContact C-N 3.29Å; S162-L164 PolarHBondContact O-N 2.03Å; S162-E165 PolarHBondContact O-N 3.25Å; S162-D166 PolarHBondContact O-N 2.86Å
163	I	95.9	Very high	95.1	Very high	79 Å²	79	106.5 Å²	106.5	41%	0.405	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-39.6	178.3	-66.6	167	0	0	0	110.8	E159 E165 D166 Q167	E159-I163 HydrophobicContact CG-CD1 4.15Å; E159-I163 WeakPolarHBondContact O-CG1 3.47Å; E159-I163 PolarHBondContact O-N 3.39Å; I163-E165 VanDerWaalsContact C-N 3.34Å; I163-D166 PolarHBondContact O-N 2.84Å; I163-Q167 WeakPolarHBondContact O-CG 3.44Å; I163-Q167 PolarHBondContact O-N 2.92Å
164	L	95.9	Very high	95.2	Very high	115 Å²	115	104.1 Å²	104.1	60%	0.602	51%	0.51	S	S	*	.	H	α-helix	trans	-66.9	-36.8	177.5	-174.6	65.2	0	0	0	111.8	Y160 S161 S162 R168	Y160-L164 VanDerWaalsContact O-CB 3.3Å; Y160-L164 WeakPolarHBondContact O-CB 3.47Å; Y160-L164 PolarHBondContact O-N 3.04Å; S161-L164 PolarHBondContact O-N 2.9Å; S162-L164 VanDerWaalsContact C-N 3.29Å; S162-L164 PolarHBondContact O-N 2.03Å; L164-R168 VanDerWaalsContact O-CB 3.27Å; L164-R168 WeakPolarHBondContact O-CB 3.35Å; L164-R168 PolarHBondContact O-N 3.21Å
165	E	95.1	Very high	95.3	Very high	125 Å²	125	102.2 Å²	102.2	58%	0.584	51%	0.507	S	S	*	.	H	α-helix	trans	-63.8	-44.2	172.9	-76.5	-177.6	172.9	0	0	111.5	S161 S162 I163 Q167 R168 L169	S161-E165 WeakPolarHBondContact O-CG 3.37Å; S161-E165 PolarHBondContact O-N 3.11Å; S162-E165 PolarHBondContact O-N 3.25Å; I163-E165 VanDerWaalsContact C-N 3.34Å; E165-Q167 PolarHBondContact O-N 2.91Å; E165-R168 WeakPolarHBondContact O-CB 3.4Å; E165-R168 PolarHBondContact O-N 2.83Å; E165-L169 WeakPolarHBondContact O-CG 3.42Å; E165-L169 PolarHBondContact O-N 2.86Å
166	D	95.3	Very high	95.4	Very high	99 Å²	99	102 Å²	102	53%	0.529	51%	0.506	S	S	.	.	H	α-helix	trans	-61.6	-44.1	175.9	-70.5	-23.9	0	0	0	111.9	S162 I163 R168 L169 Y170	S162-D166 PolarHBondContact O-N 2.86Å; I163-D166 PolarHBondContact O-N 2.84Å; D166-R168 VanDerWaalsContact C-N 3.32Å; D166-R168 PolarHBondContact O-N 2.86Å; D166-L169 PolarHBondContact O-N 2.96Å; D166-Y170 PolarHBondContact O-N 3.4Å
167	Q	95.1	Very high	95.4	Very high	118 Å²	118	103.6 Å²	103.6	55%	0.551	51%	0.512	S	S	*	.	H	α-helix	trans	-63.2	-39.3	174.8	-74	-175.5	-7.1	0	0	112.1	I163 E165 Y170 I171	I163-Q167 WeakPolarHBondContact O-CG 3.44Å; I163-Q167 PolarHBondContact O-N 2.92Å; E165-Q167 PolarHBondContact O-N 2.91Å; Q167-Y170 PolarHBondContact O-N 3.25Å; Q167-I171 WeakPolarHBondContact O-CG1 3.38Å; Q167-I171 PolarHBondContact O-N 3.28Å; Q167-I171 VanDerWaalsContact O-N 3.16Å
168	R	96.3	Very high	95.4	Very high	186 Å²	186	101.8 Å²	101.8	70%	0.702	50%	0.503	S	S	*	.	H	α-helix	trans	-64.7	-42.9	175.6	179.5	-177.6	175.7	-173.6	-1.7	111.2	L164 E165 D166 Y170 I171 D172	L164-R168 VanDerWaalsContact O-CB 3.27Å; L164-R168 WeakPolarHBondContact O-CB 3.35Å; L164-R168 PolarHBondContact O-N 3.21Å; E165-R168 WeakPolarHBondContact O-CB 3.4Å; E165-R168 PolarHBondContact O-N 2.83Å; D166-R168 VanDerWaalsContact C-N 3.32Å; D166-R168 PolarHBondContact O-N 2.86Å; R168-Y170 VanDerWaalsContact C-N 3.33Å; R168-Y170 PolarHBondContact O-N 3.24Å; R168-I171 PolarHBondContact O-N 3.32Å; R168-D172 WeakPolarHBondContact O-CB 3.38Å; R168-D172 PolarHBondContact O-N 3.12Å
169	L	95.9	Very high	95.6	Very high	108 Å²	108	101.1 Å²	101.1	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-61.2	-42.3	177	-74.4	172.1	0	0	0	111.3	E165 D166 I171 D172 E173	E165-L169 WeakPolarHBondContact O-CG 3.42Å; E165-L169 PolarHBondContact O-N 2.86Å; D166-L169 PolarHBondContact O-N 2.96Å; L169-I171 VanDerWaalsContact C-N 3.33Å; L169-I171 PolarHBondContact O-N 2.76Å; L169-D172 PolarHBondContact O-N 2.84Å; L169-E173 WeakPolarHBondContact O-CB 3.49Å; L169-E173 PolarHBondContact O-N 3.01Å
170	Y	96.4	Very high	95.7	Very high	158 Å²	158	97.5 Å²	97.5	62%	0.62	49%	0.486	S	S	*	.	H	α-helix	trans	-58.5	-43.9	174.4	173.9	-98.4	0	0	0	112.4	D166 Q167 R168 T174	D166-Y170 PolarHBondContact O-N 3.4Å; Q167-Y170 PolarHBondContact O-N 3.25Å; R168-Y170 VanDerWaalsContact C-N 3.33Å; R168-Y170 PolarHBondContact O-N 3.24Å; Y170-T174 VanDerWaalsContact O-CB 3.24Å; Y170-T174 WeakPolarHBondContact O-CB 3.44Å; Y170-T174 PolarHBondContact O-N 3.12Å; Y170-T174 PolarHBondContact O-OG1 2.66Å
171	I	96.4	Very high	95.7	Very high	104 Å²	104	94 Å²	94	53%	0.533	48%	0.478	S	S	.	.	H	α-helix	trans	-65.5	-43.2	176.5	-66.3	170.1	0	0	0	110.3	Q167 R168 L169 T174 V175	Q167-I171 WeakPolarHBondContact O-CG1 3.38Å; Q167-I171 PolarHBondContact O-N 3.28Å; Q167-I171 VanDerWaalsContact O-N 3.16Å; R168-I171 PolarHBondContact O-N 3.32Å; L169-I171 VanDerWaalsContact C-N 3.33Å; L169-I171 PolarHBondContact O-N 2.76Å; I171-T174 PolarHBondContact O-N 3.05Å; I171-V175 HydrophobicContact CG2-CG2 4.17Å; I171-V175 WeakPolarHBondContact O-CB 3.21Å; I171-V175 VanDerWaalsContact O-CG2 3.3Å; I171-V175 WeakPolarHBondContact O-CG2 3.42Å; I171-V175 PolarHBondContact O-N 3.24Å
172	D	96.1	Very high	95.8	Very high	81 Å²	81	95.8 Å²	95.8	43%	0.433	48%	0.483	S	S	.	.	H	α-helix	trans	-61.5	-50.5	-179.4	-163.2	80	0	0	0	111.5	R168 L169 T174 V175 N176	R168-D172 WeakPolarHBondContact O-CB 3.38Å; R168-D172 PolarHBondContact O-N 3.12Å; L169-D172 PolarHBondContact O-N 2.84Å; D172-T174 VanDerWaalsContact C-N 3.33Å; D172-T174 PolarHBondContact O-N 2.89Å; D172-V175 PolarHBondContact O-N 3.45Å; D172-N176 VanDerWaalsContact O-CB 3.25Å; D172-N176 WeakPolarHBondContact O-CB 3.48Å; D172-N176 PolarHBondContact O-N 3.47Å; D172-N176 PolarHBondContact O-ND2 2.89Å; D172-N176 PolarHBondContact OD1-ND2 3.47Å; D172-N176 PolarHBondContact OD2-ND2 3.26Å
173	E	96.1	Very high	95.9	Very high	103 Å²	103	97.9 Å²	97.9	48%	0.481	49%	0.489	S	S	.	.	H	α-helix	trans	-60.5	-42.4	175.7	-173.4	-175.9	172.8	0	0	111.2	L169 D177 N178	L169-E173 WeakPolarHBondContact O-CB 3.49Å; L169-E173 PolarHBondContact O-N 3.01Å; E173-D177 WeakPolarHBondContact O-CA 3.46Å; E173-D177 WeakPolarHBondContact O-CB 3.31Å; E173-D177 PolarHBondContact O-N 2.98Å; E173-N178 PolarHBondContact O-N 3.08Å
174	T	95.9	Very high	95.9	Very high	35 Å²	35	102.3 Å²	102.3	22%	0.215	50%	0.501	C	S	.	.	I	π-helix	trans	-63.6	-46.2	179.5	-61.4	0	0	0	0	111.8	Y170 I171 D172 I179	Y170-T174 VanDerWaalsContact O-CB 3.24Å; Y170-T174 WeakPolarHBondContact O-CB 3.44Å; Y170-T174 PolarHBondContact O-N 3.12Å; Y170-T174 PolarHBondContact O-OG1 2.66Å; I171-T174 PolarHBondContact O-N 3.05Å; D172-T174 VanDerWaalsContact C-N 3.33Å; D172-T174 PolarHBondContact O-N 2.89Å; T174-I179 HydrophobicContact CG2-CD1 4.16Å; T174-I179 HydrophobicContact CG2-CG1 4.32Å; T174-I179 WeakPolarHBondContact O-CB 3.38Å; T174-I179 VanDerWaalsContact O-CG1 3.26Å; T174-I179 WeakPolarHBondContact O-CG1 3.27Å; T174-I179 PolarHBondContact O-N 2.96Å
175	V	96.8	Very high	96	Very high	75 Å²	75	100.5 Å²	100.5	46%	0.455	50%	0.495	S	S	.	.	I	π-helix	trans	-80.1	-39	-173.5	173.4	0	0	0	0	112.3	I171 D172 P180	I171-V175 HydrophobicContact CG2-CG2 4.17Å; I171-V175 WeakPolarHBondContact O-CB 3.21Å; I171-V175 VanDerWaalsContact O-CG2 3.3Å; I171-V175 WeakPolarHBondContact O-CG2 3.42Å; I171-V175 PolarHBondContact O-N 3.24Å; D172-V175 PolarHBondContact O-N 3.45Å; V175-P180 WeakPolarHBondContact O-CD 3.44Å; V175-P180 WeakPolarHBondContact O-CG 3.36Å
176	N	94.3	Very high	96.1	Very high	87 Å²	87	99.8 Å²	99.8	47%	0.465	49%	0.494	S	S	.	.	I	π-helix	trans	-91.4	-31.9	-173.3	-62.9	-35.3	0	0	0	112.7	D172 P180	D172-N176 VanDerWaalsContact O-CB 3.25Å; D172-N176 WeakPolarHBondContact O-CB 3.48Å; D172-N176 PolarHBondContact O-N 3.47Å; D172-N176 PolarHBondContact O-ND2 2.89Å; D172-N176 PolarHBondContact OD1-ND2 3.47Å; D172-N176 PolarHBondContact OD2-ND2 3.26Å; N176-P180 WeakPolarHBondContact O-CG 3.44Å
177	D	94.2	Very high	96.2	Very high	99 Å²	99	103 Å²	103	53%	0.529	50%	0.499	S	S	.	.	I	π-helix	trans	-108.5	-61	-175.6	-60.2	-38.1	0	0	0	111.8	E173 P180 L181	E173-D177 WeakPolarHBondContact O-CA 3.46Å; E173-D177 WeakPolarHBondContact O-CB 3.31Å; E173-D177 PolarHBondContact O-N 2.98Å; D177-P180 WeakPolarHBondContact O-CD 3.37Å; D177-L181 WeakPolarHBondContact O-CB 3.39Å; D177-L181 PolarHBondContact O-N 2.59Å; D177-L181 VanDerWaalsContact O-N 3.07Å
178	N	95.3	Very high	96.3	Very high	66 Å²	66	100.9 Å²	100.9	35%	0.353	50%	0.497	S	S	.	.	I	π-helix	trans	-67.8	-48.7	-170.1	-69.5	-34.6	0	0	0	112.8	E173 L181 N182	E173-N178 PolarHBondContact O-N 3.08Å; N178-L181 PolarHBondContact O-N 2.94Å; N178-N182 VanDerWaalsContact O-CB 3.3Å; N178-N182 WeakPolarHBondContact O-CB 3.47Å; N178-N182 VanDerWaalsContact O-CG 3.25Å; N178-N182 PolarHBondContact O-N 3.49Å; N178-N182 PolarHBondContact O-ND2 3.01Å; N178-N182 VanDerWaalsContact O-ND2 3.15Å
179	I	96.6	Very high	96.3	Very high	78 Å²	78	96.3 Å²	96.3	40%	0.4	49%	0.486	S	S	.	.	H	α-helix	trans	-62	-51.5	-179.4	-74.3	173.2	0	0	0	111	T174 L181 N182 L183	T174-I179 HydrophobicContact CG2-CD1 4.16Å; T174-I179 HydrophobicContact CG2-CG1 4.32Å; T174-I179 WeakPolarHBondContact O-CB 3.38Å; T174-I179 VanDerWaalsContact O-CG1 3.26Å; T174-I179 WeakPolarHBondContact O-CG1 3.27Å; T174-I179 PolarHBondContact O-N 2.96Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 3.25Å; I179-N182 PolarHBondContact O-N 3.47Å; I179-L183 HydrophobicContact CG2-CD1 3.7Å; I179-L183 HydrophobicContact CG2-CG 4.18Å; I179-L183 WeakPolarHBondContact O-CB 3.18Å; I179-L183 VanDerWaalsContact O-CG 3.27Å; I179-L183 WeakPolarHBondContact O-CG 3.35Å; I179-L183 PolarHBondContact O-N 3.16Å
180	P	96.8	Very high	96.4	Very high	51 Å²	51	96.7 Å²	96.7	33%	0.331	49%	0.488	S	S	.	.	H	α-helix	trans	-63.5	-35.8	179.7	-27.7	39.6	0	0	0	113.2	V175 N176 D177 R184	V175-P180 WeakPolarHBondContact O-CD 3.44Å; V175-P180 WeakPolarHBondContact O-CG 3.36Å; N176-P180 WeakPolarHBondContact O-CG 3.44Å; D177-P180 WeakPolarHBondContact O-CD 3.37Å; P180-R184 WeakPolarHBondContact O-CB 3.4Å; P180-R184 PolarHBondContact O-N 3.03Å
181	L	95.8	Very high	96.4	Very high	92 Å²	92	94 Å²	94	48%	0.482	48%	0.481	S	S	.	.	H	α-helix	trans	-66.1	-47.8	175.9	-172.5	126	0	0	0	111.6	D177 N178 I179 R184 V185	D177-L181 WeakPolarHBondContact O-CB 3.39Å; D177-L181 PolarHBondContact O-N 2.59Å; D177-L181 VanDerWaalsContact O-N 3.07Å; N178-L181 PolarHBondContact O-N 2.94Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 3.25Å; L181-R184 WeakPolarHBondContact O-CB 3.25Å; L181-R184 PolarHBondContact O-N 2.87Å; L181-V185 PolarHBondContact O-N 2.95Å; L181-V185 VanDerWaalsContact O-N 3.12Å
182	N	96.3	Very high	96.5	Very high	91 Å²	91	92.8 Å²	92.8	49%	0.487	48%	0.475	S	S	.	.	H	α-helix	trans	-62.8	-44	176.9	-74.3	-30.5	0	0	0	111.8	N178 I179 R184 V185 L186	N178-N182 VanDerWaalsContact O-CB 3.3Å; N178-N182 WeakPolarHBondContact O-CB 3.47Å; N178-N182 VanDerWaalsContact O-CG 3.25Å; N178-N182 PolarHBondContact O-N 3.49Å; N178-N182 PolarHBondContact O-ND2 3.01Å; N178-N182 VanDerWaalsContact O-ND2 3.15Å; I179-N182 PolarHBondContact O-N 3.47Å; N182-R184 VanDerWaalsContact C-N 3.29Å; N182-R184 PolarHBondContact O-N 2.92Å; N182-V185 PolarHBondContact O-N 3Å; N182-L186 WeakPolarHBondContact O-CB 3.23Å; N182-L186 WeakPolarHBondContact O-CG 3.36Å; N182-L186 PolarHBondContact O-N 3.21Å
183	L	96.9	Very high	96.6	Very high	105 Å²	105	93.4 Å²	93.4	55%	0.55	48%	0.478	S	S	.	.	H	α-helix	trans	-62.6	-36.7	176.1	-72.9	177.9	0	0	0	112	I179 R187	I179-L183 HydrophobicContact CG2-CD1 3.7Å; I179-L183 HydrophobicContact CG2-CG 4.18Å; I179-L183 WeakPolarHBondContact O-CB 3.18Å; I179-L183 VanDerWaalsContact O-CG 3.27Å; I179-L183 WeakPolarHBondContact O-CG 3.35Å; I179-L183 PolarHBondContact O-N 3.16Å; L183-R187 WeakPolarHBondContact O-CB 3.42Å; L183-R187 PolarHBondContact O-N 3.36Å
184	R	96.6	Very high	96.6	Very high	172 Å²	172	96.5 Å²	96.5	65%	0.649	49%	0.485	S	S	*	.	H	α-helix	trans	-62.4	-45.5	175.2	-172.6	-174.3	-63.6	134.7	1	111.4	P180 L181 N182 S188	P180-R184 WeakPolarHBondContact O-CB 3.4Å; P180-R184 PolarHBondContact O-N 3.03Å; L181-R184 WeakPolarHBondContact O-CB 3.25Å; L181-R184 PolarHBondContact O-N 2.87Å; N182-R184 VanDerWaalsContact C-N 3.29Å; N182-R184 PolarHBondContact O-N 2.92Å; R184-S188 WeakPolarHBondContact O-CB 3.14Å; R184-S188 PolarHBondContact O-N 2.82Å
185	V	97	Very high	96.7	Very high	78 Å²	78	97.8 Å²	97.8	47%	0.473	50%	0.496	S	S	.	.	H	α-helix	trans	-65	-49.3	178	176	0	0	0	0	110.9	L181 N182 R187 S188 I189	L181-V185 PolarHBondContact O-N 2.95Å; L181-V185 VanDerWaalsContact O-N 3.12Å; N182-V185 PolarHBondContact O-N 3Å; V185-R187 VanDerWaalsContact C-N 3.32Å; V185-R187 PolarHBondContact O-N 2.93Å; V185-S188 WeakPolarHBondContact O-CB 3.49Å; V185-S188 PolarHBondContact O-N 3.14Å; V185-I189 HydrophobicContact CG1-CD1 3.99Å; V185-I189 WeakPolarHBondContact O-CG1 3.44Å; V185-I189 PolarHBondContact O-N 3.34Å
186	L	97.2	Very high	96.8	Very high	110 Å²	110	100 Å²	100	58%	0.576	50%	0.5	S	S	*	.	H	α-helix	trans	-61.3	-40.7	179.3	-71.6	174.5	0	0	0	112.2	N182 I189 L190	N182-L186 WeakPolarHBondContact O-CB 3.23Å; N182-L186 WeakPolarHBondContact O-CG 3.36Å; N182-L186 PolarHBondContact O-N 3.21Å; L186-I189 PolarHBondContact O-N 3.23Å; L186-L190 WeakPolarHBondContact O-CB 3.33Å; L186-L190 PolarHBondContact O-N 2.58Å
187	R	97.3	Very high	97	Very high	166 Å²	166	100.2 Å²	100.2	63%	0.626	50%	0.5	S	S	*	.	H	α-helix	trans	-63.2	-43.8	175.5	-177	174.6	177.3	171.6	1	111.7	L183 V185 I189 L190 E191	L183-R187 WeakPolarHBondContact O-CB 3.42Å; L183-R187 PolarHBondContact O-N 3.36Å; V185-R187 VanDerWaalsContact C-N 3.32Å; V185-R187 PolarHBondContact O-N 2.93Å; R187-I189 VanDerWaalsContact C-N 3.35Å; R187-I189 PolarHBondContact O-N 2.79Å; R187-L190 PolarHBondContact O-N 3.37Å; R187-E191 HydrophobicContact CG-CG 4.37Å; R187-E191 WeakPolarHBondContact CG-OE1 3.12Å; R187-E191 IonicContact CZ-OE1 2.81Å; R187-E191 IonicContact NE-OE1 3.4Å; R187-E191 PolarHBondContact NE-OE1 2.94Å; R187-E191 IonicContact NH2-OE1 3.66Å; R187-E191 PolarHBondContact NH2-OE1 3.33Å; R187-E191 WeakPolarHBondContact O-CB 3.4Å; R187-E191 WeakPolarHBondContact O-CG 3.41Å; R187-E191 PolarHBondContact O-N 2.82Å
188	S	97.4	Very high	97.1	Very high	74 Å²	74	100.5 Å²	100.5	52%	0.517	50%	0.498	S	S	.	.	H	α-helix	trans	-59.7	-44.2	175.9	-178.3	0	0	0	0	111.8	R184 V185 E191 N192	R184-S188 WeakPolarHBondContact O-CB 3.14Å; R184-S188 PolarHBondContact O-N 2.82Å; V185-S188 WeakPolarHBondContact O-CB 3.49Å; V185-S188 PolarHBondContact O-N 3.14Å; S188-E191 PolarHBondContact O-N 2.88Å; S188-N192 VanDerWaalsContact O-CB 3.3Å; S188-N192 WeakPolarHBondContact O-CB 3.32Å; S188-N192 PolarHBondContact O-N 3.05Å
189	I	97.8	Very high	97.3	Very high	89 Å²	89	104 Å²	104	46%	0.456	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-46.8	175.9	-67.3	168.6	0	0	0	110.7	V185 L186 R187 N192 L193	V185-I189 HydrophobicContact CG1-CD1 3.99Å; V185-I189 WeakPolarHBondContact O-CG1 3.44Å; V185-I189 PolarHBondContact O-N 3.34Å; L186-I189 PolarHBondContact O-N 3.23Å; R187-I189 VanDerWaalsContact C-N 3.35Å; R187-I189 PolarHBondContact O-N 2.79Å; I189-N192 PolarHBondContact O-N 3.27Å; I189-L193 HydrophobicContact CG2-CD1 4Å; I189-L193 HydrophobicContact CG2-CG 4.38Å; I189-L193 WeakPolarHBondContact O-CG 3.35Å; I189-L193 PolarHBondContact O-N 2.94Å
190	L	97.3	Very high	97.3	Very high	117 Å²	117	105.2 Å²	105.2	61%	0.613	52%	0.517	S	S	*	.	H	α-helix	trans	-63.9	-44	-178.8	-166.2	158.7	0	0	0	111.7	L186 R187 L193 R194	L186-L190 WeakPolarHBondContact O-CB 3.33Å; L186-L190 PolarHBondContact O-N 2.58Å; R187-L190 PolarHBondContact O-N 3.37Å; L190-L193 PolarHBondContact O-N 2.78Å; L190-R194 WeakPolarHBondContact O-CB 3.39Å; L190-R194 PolarHBondContact O-N 3.21Å
191	E	97.1	Very high	97.4	Very high	101 Å²	101	108.4 Å²	108.4	47%	0.472	53%	0.527	S	S	.	.	H	α-helix	trans	-65.2	-38.3	176.6	-72.4	176.1	-177.2	0	0	111.8	R187 S188 R194 S195	R187-E191 HydrophobicContact CG-CG 4.37Å; R187-E191 WeakPolarHBondContact CG-OE1 3.12Å; R187-E191 IonicContact CZ-OE1 2.81Å; R187-E191 IonicContact NE-OE1 3.4Å; R187-E191 PolarHBondContact NE-OE1 2.94Å; R187-E191 IonicContact NH2-OE1 3.66Å; R187-E191 PolarHBondContact NH2-OE1 3.33Å; R187-E191 WeakPolarHBondContact O-CB 3.4Å; R187-E191 WeakPolarHBondContact O-CG 3.41Å; R187-E191 PolarHBondContact O-N 2.82Å; S188-E191 PolarHBondContact O-N 2.88Å; E191-R194 PolarHBondContact O-N 3.37Å; E191-S195 PolarHBondContact O-N 3.01Å; E191-S195 PolarHBondContact O-OG 2.93Å
192	N	97.9	Very high	97.5	Very high	78 Å²	78	107.6 Å²	107.6	42%	0.417	53%	0.529	S	S	.	.	H	α-helix	trans	-63.9	-47.6	173.9	-169.7	-59.5	0	0	0	111.7	S188 I189 R194 S195 K196	S188-N192 VanDerWaalsContact O-CB 3.3Å; S188-N192 WeakPolarHBondContact O-CB 3.32Å; S188-N192 PolarHBondContact O-N 3.05Å; I189-N192 PolarHBondContact O-N 3.27Å; N192-R194 VanDerWaalsContact C-N 3.33Å; N192-R194 PolarHBondContact O-N 2.88Å; N192-S195 PolarHBondContact O-N 3.49Å; N192-S195 PolarHBondContact O-OG 2.77Å; N192-K196 PolarHBondContact O-N 2.99Å; N192-K196 WeakPolarHBondContact OD1-CD 3.37Å; N192-K196 WeakPolarHBondContact OD1-CE 3.47Å; N192-K196 PolarHBondContact OD1-NZ 3.39Å
193	L	97.5	Very high	97.5	Very high	95 Å²	95	107.3 Å²	107.3	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-61.3	-42	176.8	-72.2	175.7	0	0	0	111.7	I189 L190 S195 K196 I197	I189-L193 HydrophobicContact CG2-CD1 4Å; I189-L193 HydrophobicContact CG2-CG 4.38Å; I189-L193 WeakPolarHBondContact O-CG 3.35Å; I189-L193 PolarHBondContact O-N 2.94Å; L190-L193 PolarHBondContact O-N 2.78Å; L193-S195 PolarHBondContact O-N 2.96Å; L193-K196 PolarHBondContact O-N 3.16Å; L193-I197 VanDerWaalsContact O-CG1 3.3Å; L193-I197 WeakPolarHBondContact O-CG1 3.14Å; L193-I197 PolarHBondContact O-N 3.12Å
194	R	97.6	Very high	97.5	Very high	167 Å²	167	106.8 Å²	106.8	63%	0.63	53%	0.525	S	S	*	.	H	α-helix	trans	-59.3	-45.6	176.7	-176.1	177.9	178.2	173.5	1.3	112	L190 E191 N192 I197 Q198	L190-R194 WeakPolarHBondContact O-CB 3.39Å; L190-R194 PolarHBondContact O-N 3.21Å; E191-R194 PolarHBondContact O-N 3.37Å; N192-R194 VanDerWaalsContact C-N 3.33Å; N192-R194 PolarHBondContact O-N 2.88Å; R194-I197 PolarHBondContact O-N 2.89Å; R194-Q198 WeakPolarHBondContact O-CG 3.31Å; R194-Q198 PolarHBondContact O-N 3.36Å
195	S	97.8	Very high	97.6	Very high	63 Å²	63	102.1 Å²	102.1	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-67.8	-35.6	178.7	62.4	0	0	0	0	112.6	E191 N192 L193 K199	E191-S195 PolarHBondContact O-N 3.01Å; E191-S195 PolarHBondContact O-OG 2.93Å; N192-S195 PolarHBondContact O-N 3.49Å; N192-S195 PolarHBondContact O-OG 2.77Å; L193-S195 PolarHBondContact O-N 2.96Å; S195-K199 PolarHBondContact O-N 3.3Å
196	K	97.9	Very high	97.6	Very high	122 Å²	122	100.4 Å²	100.4	53%	0.53	51%	0.512	S	S	.	.	H	α-helix	trans	-65.3	-42.7	172.7	-74.8	179	175.1	175.5	0	112.9	N192 L193 K199 L200	N192-K196 PolarHBondContact O-N 2.99Å; N192-K196 WeakPolarHBondContact OD1-CD 3.37Å; N192-K196 WeakPolarHBondContact OD1-CE 3.47Å; N192-K196 PolarHBondContact OD1-NZ 3.39Å; L193-K196 PolarHBondContact O-N 3.16Å; K196-K199 WeakPolarHBondContact O-CB 3.26Å; K196-K199 PolarHBondContact O-N 2.85Å; K196-L200 WeakPolarHBondContact O-CG 3.48Å; K196-L200 PolarHBondContact O-N 3.07Å
197	I	98	Very high	97.6	Very high	91 Å²	91	100.4 Å²	100.4	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-46.6	176.3	-69.9	165.8	0	0	0	110.1	L193 R194 K199 L200 E201	L193-I197 VanDerWaalsContact O-CG1 3.3Å; L193-I197 WeakPolarHBondContact O-CG1 3.14Å; L193-I197 PolarHBondContact O-N 3.12Å; R194-I197 PolarHBondContact O-N 2.89Å; I197-K199 VanDerWaalsContact C-N 3.28Å; I197-K199 PolarHBondContact O-N 3.27Å; I197-L200 PolarHBondContact O-N 3.03Å; I197-L200 VanDerWaalsContact O-N 3.14Å; I197-E201 HydrophobicContact CG2-CG 4.37Å; I197-E201 WeakPolarHBondContact O-CG 3.39Å; I197-E201 PolarHBondContact O-N 2.76Å
198	Q	97.8	Very high	97.5	Very high	105 Å²	105	98.7 Å²	98.7	49%	0.491	51%	0.51	S	S	.	.	H	α-helix	trans	-59.2	-39.3	176	-74.2	179.3	-28.2	0	0	112.4	R194 S202	R194-Q198 WeakPolarHBondContact O-CG 3.31Å; R194-Q198 PolarHBondContact O-N 3.36Å; Q198-S202 WeakPolarHBondContact O-CB 3.46Å; Q198-S202 PolarHBondContact O-N 3.02Å
199	K	97.9	Very high	97.5	Very high	138 Å²	138	99.9 Å²	99.9	60%	0.6	51%	0.507	S	S	*	.	H	α-helix	trans	-63.3	-47.1	174.4	-175.1	177.6	178	-177.4	0	111.6	S195 K196 I197 E201 S202 D203	S195-K199 PolarHBondContact O-N 3.3Å; K196-K199 WeakPolarHBondContact O-CB 3.26Å; K196-K199 PolarHBondContact O-N 2.85Å; I197-K199 VanDerWaalsContact C-N 3.28Å; I197-K199 PolarHBondContact O-N 3.27Å; K199-E201 PolarHBondContact O-N 2.64Å; K199-S202 WeakPolarHBondContact O-CB 3.41Å; K199-S202 PolarHBondContact O-N 2.83Å; K199-D203 VanDerWaalsContact O-CG 3.25Å; K199-D203 PolarHBondContact O-N 3.27Å
200	L	97.6	Very high	97.4	Very high	105 Å²	105	103.5 Å²	103.5	55%	0.55	52%	0.516	S	S	.	.	H	α-helix	trans	-60.9	-43.2	177.5	-71	170.5	0	0	0	111.9	K196 I197 S202 D203 I204	K196-L200 WeakPolarHBondContact O-CG 3.48Å; K196-L200 PolarHBondContact O-N 3.07Å; I197-L200 PolarHBondContact O-N 3.03Å; I197-L200 VanDerWaalsContact O-N 3.14Å; L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 3.09Å; L200-D203 PolarHBondContact O-N 3.24Å; L200-I204 WeakPolarHBondContact O-CB 3.29Å; L200-I204 WeakPolarHBondContact O-CD1 3.46Å; L200-I204 WeakPolarHBondContact O-CG1 3.37Å; L200-I204 PolarHBondContact O-N 2.62Å
201	E	97.8	Very high	97.3	Very high	118 Å²	118	102 Å²	102	55%	0.551	52%	0.515	S	S	*	.	H	α-helix	trans	-60.1	-41.4	175.4	-73.1	175.2	164.9	0	0	111.9	I197 K199 S205	I197-E201 HydrophobicContact CG2-CG 4.37Å; I197-E201 WeakPolarHBondContact O-CG 3.39Å; I197-E201 PolarHBondContact O-N 2.76Å; K199-E201 PolarHBondContact O-N 2.64Å; E201-S205 WeakPolarHBondContact O-CB 3.45Å; E201-S205 PolarHBondContact O-N 2.7Å; E201-S205 PolarHBondContact O-OG 2.96Å
202	S	98	Very high	97.3	Very high	75 Å²	75	105.8 Å²	105.8	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-64.6	-47.1	175	-178.3	0	0	0	0	112	Q198 K199 L200 S205 A206	Q198-S202 WeakPolarHBondContact O-CB 3.46Å; Q198-S202 PolarHBondContact O-N 3.02Å; K199-S202 WeakPolarHBondContact O-CB 3.41Å; K199-S202 PolarHBondContact O-N 2.83Å; L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 3.09Å; S202-S205 PolarHBondContact O-N 3.24Å; S202-A206 PolarHBondContact O-N 2.93Å
203	D	97.4	Very high	97.2	Very high	84 Å²	84	107.2 Å²	107.2	45%	0.449	54%	0.536	S	S	.	.	H	α-helix	trans	-65.3	-40.2	-178.5	-67.5	-16.3	0	0	0	111.1	K199 L200 A206 Q207	K199-D203 VanDerWaalsContact O-CG 3.25Å; K199-D203 PolarHBondContact O-N 3.27Å; L200-D203 PolarHBondContact O-N 3.24Å; D203-A206 PolarHBondContact O-N 3.05Å; D203-Q207 PolarHBondContact O-N 3.05Å
204	I	97.3	Very high	97	Very high	95 Å²	95	107.7 Å²	107.7	49%	0.487	55%	0.545	S	S	.	.	H	α-helix	trans	-62.8	-44.3	173.8	-69.2	165.6	0	0	0	110.7	L200 A206 Q207 M208	L200-I204 WeakPolarHBondContact O-CB 3.29Å; L200-I204 WeakPolarHBondContact O-CD1 3.46Å; L200-I204 WeakPolarHBondContact O-CG1 3.37Å; L200-I204 PolarHBondContact O-N 2.62Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 2.92Å; I204-Q207 PolarHBondContact O-N 3.48Å; I204-M208 HydrophobicContact CG2-CE 3.89Å; I204-M208 WeakPolarHBondContact O-CG 3.05Å; I204-M208 PolarHBondContact O-N 2.66Å
205	S	97.4	Very high	96.8	Very high	74 Å²	74	105.1 Å²	105.1	52%	0.517	55%	0.552	S	S	.	*	H	α-helix	trans	-63.4	-39.7	178.6	-59.5	0	0	0	0	111.8	E201 S202 M208 E209	E201-S205 WeakPolarHBondContact O-CB 3.45Å; E201-S205 PolarHBondContact O-N 2.7Å; E201-S205 PolarHBondContact O-OG 2.96Å; S202-S205 PolarHBondContact O-N 3.24Å; S205-M208 PolarHBondContact O-N 3.31Å; S205-E209 PolarHBondContact O-N 2.89Å
206	A	97.7	Very high	96.4	Very high	41 Å²	41	108.3 Å²	108.3	34%	0.339	57%	0.568	S	S	.	*	H	α-helix	trans	-63.2	-44.2	174	0	0	0	0	0	111.6	S202 D203 I204 M208 E209 Y210	S202-A206 PolarHBondContact O-N 2.93Å; D203-A206 PolarHBondContact O-N 3.05Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 2.92Å; A206-M208 VanDerWaalsContact C-N 3.33Å; A206-M208 PolarHBondContact O-N 3.07Å; A206-E209 WeakPolarHBondContact O-CB 3.34Å; A206-E209 PolarHBondContact O-N 3.22Å; A206-E209 VanDerWaalsContact O-N 3.16Å; A206-Y210 HydrophobicContact CB-CE2 4.39Å; A206-Y210 WeakPolarHBondContact O-CD2 3.03Å; A206-Y210 PolarHBondContact O-N 3.17Å; A206-Y210 VanDerWaalsContact O-N 3.09Å
207	Q	96.2	Very high	96	Very high	111 Å²	111	106.2 Å²	106.2	52%	0.519	57%	0.566	S	S	.	*	H	α-helix	trans	-62.5	-39.6	176.4	-172	60.4	33.2	0	0	112.1	D203 I204 E209 Y210 C211	D203-Q207 PolarHBondContact O-N 3.05Å; I204-Q207 PolarHBondContact O-N 3.48Å; Q207-E209 VanDerWaalsContact C-N 3.27Å; Q207-E209 PolarHBondContact O-N 3.1Å; Q207-Y210 PolarHBondContact O-N 3.05Å; Q207-C211 PolarHBondContact NE2-SG 3.4Å; Q207-C211 VanDerWaalsContact NE2-SG 3.43Å; Q207-C211 WeakPolarHBondContact O-CB 3.28Å; Q207-C211 PolarHBondContact O-N 3.25Å; Q207-C211 PolarHBondContact O-SG 3.48Å
208	M	96.8	Very high	95.5	Very high	130 Å²	130	105.6 Å²	105.6	64%	0.64	57%	0.569	S	S	*	*	H	α-helix	trans	-60.5	-35.7	174.9	-74.5	-175.6	178	0	0	112.5	I204 S205 A206	I204-M208 HydrophobicContact CG2-CE 3.89Å; I204-M208 WeakPolarHBondContact O-CG 3.05Å; I204-M208 PolarHBondContact O-N 2.66Å; S205-M208 PolarHBondContact O-N 3.31Å; A206-M208 VanDerWaalsContact C-N 3.33Å; A206-M208 PolarHBondContact O-N 3.07Å
209	E	96.9	Very high	95.1	Very high	98 Å²	98	102.1 Å²	102.1	46%	0.458	56%	0.556	S	S	.	*	H	α-helix	trans	-68.6	-46.3	175.3	-168.7	61.8	-146.6	0	0	111.3	S205 A206 Q207 C211 R212	S205-E209 PolarHBondContact O-N 2.89Å; A206-E209 WeakPolarHBondContact O-CB 3.34Å; A206-E209 PolarHBondContact O-N 3.22Å; A206-E209 VanDerWaalsContact O-N 3.16Å; Q207-E209 VanDerWaalsContact C-N 3.27Å; Q207-E209 PolarHBondContact O-N 3.1Å; E209-C211 VanDerWaalsContact C-N 3.27Å; E209-C211 PolarHBondContact O-N 3.31Å; E209-R212 WeakPolarHBondContact O-CB 3.38Å; E209-R212 WeakPolarHBondContact O-CG 3.27Å; E209-R212 PolarHBondContact O-N 3.15Å; E209-R212 VanDerWaalsContact O-N 3.14Å; E209-R212 WeakPolarHBondContact OE1-CD 3.29Å; E209-R212 IonicContact OE1-CZ 2.62Å; E209-R212 IonicContact OE1-NE 3.84Å; E209-R212 IonicContact OE1-NH1 3.9Å; E209-R212 PolarHBondContact OE1-NH1 2.89Å; E209-R212 IonicContact OE2-CZ 2.66Å; E209-R212 IonicContact OE2-NE 3.68Å; E209-R212 PolarHBondContact OE2-NE 2.93Å; E209-R212 IonicContact OE2-NH1 3.56Å; E209-R212 PolarHBondContact OE2-NH1 2.8Å; E209-R212 IonicContact OE2-NH2 3.64Å; E209-R212 PolarHBondContact OE2-NH2 2.02Å
210	Y	95.4	Very high	94.7	Very high	165 Å²	165	100 Å²	100	65%	0.647	55%	0.551	S	S	*	*	H	α-helix	trans	-61.2	-35.1	176.6	-65.5	-49.2	0	0	0	112.7	A206 Q207 R212 T213	A206-Y210 HydrophobicContact CB-CE2 4.39Å; A206-Y210 WeakPolarHBondContact O-CD2 3.03Å; A206-Y210 PolarHBondContact O-N 3.17Å; A206-Y210 VanDerWaalsContact O-N 3.09Å; Q207-Y210 PolarHBondContact O-N 3.05Å; Y210-R212 PolarHBondContact O-N 3.41Å; Y210-T213 PolarHBondContact O-N 3.45Å; Y210-T213 PolarHBondContact O-OG1 2.84Å
211	C	96.3	Very high	94.4	Very high	86 Å²	86	98.4 Å²	98.4	58%	0.581	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-6.8	178.3	-73.1	0	0	0	0	114.6	Q207 E209 T213	Q207-C211 PolarHBondContact NE2-SG 3.4Å; Q207-C211 VanDerWaalsContact NE2-SG 3.43Å; Q207-C211 WeakPolarHBondContact O-CB 3.28Å; Q207-C211 PolarHBondContact O-N 3.25Å; Q207-C211 PolarHBondContact O-SG 3.48Å; E209-C211 VanDerWaalsContact C-N 3.27Å; E209-C211 PolarHBondContact O-N 3.31Å; C211-T213 VanDerWaalsContact C-N 3.26Å; C211-T213 PolarHBondContact O-N 3.15Å
212	R	96.3	Very high	94.2	Very high	180 Å²	180	94.1 Å²	94.1	68%	0.679	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-31	172.9	-68.6	-178	176.4	174.2	-0.7	112.4	E209 Y210	E209-R212 WeakPolarHBondContact O-CB 3.38Å; E209-R212 WeakPolarHBondContact O-CG 3.27Å; E209-R212 PolarHBondContact O-N 3.15Å; E209-R212 VanDerWaalsContact O-N 3.14Å; E209-R212 WeakPolarHBondContact OE1-CD 3.29Å; E209-R212 IonicContact OE1-CZ 2.62Å; E209-R212 IonicContact OE1-NE 3.84Å; E209-R212 IonicContact OE1-NH1 3.9Å; E209-R212 PolarHBondContact OE1-NH1 2.89Å; E209-R212 IonicContact OE2-CZ 2.66Å; E209-R212 IonicContact OE2-NE 3.68Å; E209-R212 PolarHBondContact OE2-NE 2.93Å; E209-R212 IonicContact OE2-NH1 3.56Å; E209-R212 PolarHBondContact OE2-NH1 2.8Å; E209-R212 IonicContact OE2-NH2 3.64Å; E209-R212 PolarHBondContact OE2-NH2 2.02Å; Y210-R212 PolarHBondContact O-N 3.41Å
213	T	95.8	Very high	93.9	Very high	108 Å²	108	97.8 Å²	97.8	66%	0.663	54%	0.544	S	S	*	.	S	Bend	trans	-104.4	115.8	175.7	49.9	0	0	0	0	109.5	Y210 C211	Y210-T213 PolarHBondContact O-N 3.45Å; Y210-T213 PolarHBondContact O-OG1 2.84Å; C211-T213 VanDerWaalsContact C-N 3.26Å; C211-T213 PolarHBondContact O-N 3.15Å
214	P	94.3	Very high	93.8	Very high	106 Å²	106	95.6 Å²	95.6	69%	0.688	53%	0.534	S	S	*	.			trans	-71.2	149.8	-179.7	29.9	-34.5	0	0	0	111.1
215	C	91.8	Very high	93.7	Very high	113 Å²	113	93.2 Å²	93.2	76%	0.764	53%	0.525	S	S	*	.			trans	-64.8	143.4	167.4	56.9	0	0	0	0	110.3
216	T	90.1	Very high	93.6	Very high	129 Å²	129	90 Å²	90	79%	0.791	51%	0.505	S	S	*	.			trans	-125.2	146.1	178.7	59.5	0	0	0	0	110.1
217	V	89.3	Confident	93.4	Very high	79 Å²	79	93.5 Å²	93.5	48%	0.479	51%	0.512	S	S	.	.			trans	-127.5	142.2	173.6	-66.1	0	0	0	0	108.6
218	S	88.2	Confident	93.3	Very high	77 Å²	77	89.1 Å²	89.1	54%	0.538	49%	0.491	S	S	.	.			trans	-120.4	82.8	177.7	178.1	0	0	0	0	108.4	N297	S218-N297 PolarHBondContact N-OD1 3.26Å; S218-N297 PolarHBondContact O-ND2 3.06Å
219	C	88.7	Confident	93.3	Very high	32 Å²	32	82.9 Å²	82.9	22%	0.216	46%	0.461	C	S	.	.			trans	-97.1	101.6	-179.4	-51.5	0	0	0	0	110.5	I221 M242 C304	C219-I221 PolarHBondContact O-N 3.24Å; C219-M242 HydrophobicContact CB-CE 3.45Å; C219-M242 VanDerWaalsContact CB-CE 3.45Å; C219-C304 WeakPolarHBondContact CA-SG 3.28Å; C219-C304 HydrophobicContact CB-CB 3.74Å; C219-C304 WeakPolarHBondContact CB-SG 3.45Å; C219-C304 WeakPolarHBondContact SG-CB 3.34Å; C219-C304 CovalentContact SG-SG 2.02Å; C219-C304 PolarHBondContact SG-SG 3.05Å
220	N	90.6	Very high	93.2	Very high	93 Å²	93	79.6 Å²	79.6	50%	0.497	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-66.7	130	166.9	-68.5	-41.5	0	0	0	109.1	K302	N220-K302 WeakPolarHBondContact CB-O 3.3Å; N220-K302 PolarHBondContact ND2-O 2.76Å
221	I	90.7	Very high	93.2	Very high	73 Å²	73	74.1 Å²	74.1	37%	0.374	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-81.2	126.8	-176.6	-60.3	167.2	0	0	0	108.5	C219 M242 L244	C219-I221 PolarHBondContact O-N 3.24Å; I221-M242 HydrophobicContact CG1-CE 3.99Å; I221-L244 HydrophobicContact CG2-CB 3.77Å; I221-L244 HydrophobicContact CG2-CD2 4.42Å
222	P	92.3	Very high	93.2	Very high	27 Å²	27	70 Å²	70	18%	0.175	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-58.8	147.8	172.5	-25.3	35.6	0	0	0	112.5	V224 E241 M242 Y243	P222-V224 VanDerWaalsContact C-N 3.34Å; P222-V224 HydrophobicContact CB-CG1 4.36Å; P222-E241 HydrophobicContact CG-CG 4.26Å; P222-E241 WeakPolarHBondContact CG-OE2 3.3Å; P222-M242 WeakPolarHBondContact CD-O 3.35Å; P222-M242 WeakPolarHBondContact CG-O 3.28Å; P222-Y243 HydrophobicContact CB-CD1 3.85Å; P222-Y243 HydrophobicContact CB-CE1 3.8Å; P222-Y243 HydrophobicContact CG-CD1 3.91Å; P222-Y243 HydrophobicContact CG-CE1 3.93Å
223	V	93.3	Very high	93.2	Very high	152 Å²	152	63.3 Å²	63.3	92%	0.921	38%	0.375	S	S	*	.	S	Bend	trans	-70	-33	-179.1	179.9	0	0	0	0	111.7
224	V	95	Very high	93.2	Very high	39 Å²	39	66.2 Å²	66.2	24%	0.236	37%	0.374	C	S	.	.			trans	-70.6	132.8	179.2	63.8	0	0	0	0	110.5	P222 I232 K235 Y243	P222-V224 VanDerWaalsContact C-N 3.34Å; P222-V224 HydrophobicContact CB-CG1 4.36Å; V224-I232 HydrophobicContact CG1-CG2 4.02Å; V224-I232 HydrophobicContact CG2-CG2 4.12Å; V224-K235 HydrophobicContact CG2-CB 3.69Å; V224-Y243 HydrophobicContact CG1-CD1 3.96Å; V224-Y243 HydrophobicContact CG1-CE1 3.5Å
225	S	95.5	Very high	93.2	Very high	44 Å²	44	66.5 Å²	66.5	31%	0.308	36%	0.364	S	S	.	.			trans	-147.9	159.2	-178.6	-174.8	0	0	0	0	110.5	K235 L244	S225-K235 WeakPolarHBondContact O-CD 3.04Å; S225-K235 PolarHBondContact O-NZ 3.4Å; S225-L244 WeakPolarHBondContact CB-O 3.49Å; S225-L244 PolarHBondContact OG-O 3.24Å
226	G	94.1	Very high	93.3	Very high	8 Å²	8	63.5 Å²	63.5	8%	0.082	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-163.9	-175.1	-177.4	0	0	0	0	0	111.3	E228 I245 Q246	G226-E228 VanDerWaalsContact C-N 3.31Å; G226-I245 WeakPolarHBondContact O-CA 3.32Å; G226-Q246 PolarHBondContact O-N 3.37Å
227	K	93.6	Very high	93.5	Very high	113 Å²	113	57.5 Å²	57.5	49%	0.491	32%	0.317	S	S	.	.	S	Bend	trans	-65	-39	176	-69	169.2	-174	179.6	0	112	E231 Q246 P247	K227-E231 WeakPolarHBondContact CB-OE2 3.09Å; K227-E231 WeakPolarHBondContact CD-OE2 3.4Å; K227-E231 WeakPolarHBondContact CG-OE2 3.38Å; K227-E231 PolarHBondContact N-OE2 2.67Å; K227-Q246 WeakPolarHBondContact CA-O 3.44Å; K227-P247 WeakPolarHBondContact O-CA 3.4Å; K227-P247 WeakPolarHBondContact O-CG 3.13Å
228	E	94.6	Very high	93.6	Very high	19 Å²	19	61.2 Å²	61.2	9%	0.089	33%	0.329	C	S	.	.	S	Bend	trans	-156.4	-179.6	178.5	51.8	66.5	-127.1	0	0	109.9	G226 E230 E231 I232 L320 P474	G226-E228 VanDerWaalsContact C-N 3.31Å; E228-E230 PolarHBondContact O-N 2.65Å; E228-E230 WeakPolarHBondContact OE1-CB 3.48Å; E228-E230 PolarHBondContact OE1-N 2.65Å; E228-E230 WeakPolarHBondContact OE2-CA 3.26Å; E228-E230 WeakPolarHBondContact OE2-CB 3.3Å; E228-E230 PolarHBondContact OE2-N 3.48Å; E228-E231 PolarHBondContact O-N 3.29Å; E228-E231 PolarHBondContact OE1-N 3.25Å; E228-I232 PolarHBondContact O-N 3.3Å; E228-L320 HydrophobicContact CB-CD2 4.11Å; E228-P474 HydrophobicContact CG-CG 4.14Å; E228-P474 WeakPolarHBondContact OE2-CD 3.46Å
229	C	96.8	Very high	93.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-30.5	-171.2	-63.4	0	0	0	0	114.7	I232 I233 C258 M260 T268	C229-I232 WeakPolarHBondContact O-CB 3.25Å; C229-I232 PolarHBondContact O-N 2.84Å; C229-I233 PolarHBondContact O-N 3.11Å; C229-C258 HydrophobicContact CB-CB 3.63Å; C229-C258 WeakPolarHBondContact CB-SG 3.49Å; C229-C258 WeakPolarHBondContact SG-CA 3.31Å; C229-C258 WeakPolarHBondContact SG-CB 3.43Å; C229-C258 CovalentContact SG-SG 2.03Å; C229-C258 PolarHBondContact SG-SG 2.86Å; C229-M260 HydrophobicContact CB-CE 4.28Å; C229-T268 WeakPolarHBondContact CB-OG1 3.17Å; C229-T268 PolarHBondContact N-OG1 3.05Å; C229-T268 VanDerWaalsContact SG-CA 3.56Å; C229-T268 PolarHBondContact SG-OG1 2.84Å
230	E	95.6	Very high	94.2	Very high	28 Å²	28	60.1 Å²	60.1	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-37.1	173.6	170.4	65.8	-162.8	0	0	111.7	E228 I232 I233 R234 G266 R473 P474	E228-E230 PolarHBondContact O-N 2.65Å; E228-E230 WeakPolarHBondContact OE1-CB 3.48Å; E228-E230 PolarHBondContact OE1-N 2.65Å; E228-E230 WeakPolarHBondContact OE2-CA 3.26Å; E228-E230 WeakPolarHBondContact OE2-CB 3.3Å; E228-E230 PolarHBondContact OE2-N 3.48Å; E230-I232 VanDerWaalsContact C-N 3.31Å; E230-I233 VanDerWaalsContact O-CG2 3.24Å; E230-I233 WeakPolarHBondContact O-CG2 3.34Å; E230-R234 WeakPolarHBondContact O-CB 3.41Å; E230-R234 VanDerWaalsContact O-CG 3.24Å; E230-R234 WeakPolarHBondContact O-CG 3.11Å; E230-R234 PolarHBondContact O-N 3.11Å; E230-R234 VanDerWaalsContact O-N 3.17Å; E230-R234 IonicContact OE1-CZ 2.73Å; E230-R234 IonicContact OE1-NE 3.26Å; E230-R234 PolarHBondContact OE1-NE 3.19Å; E230-R234 IonicContact OE1-NH2 2.72Å; E230-R234 PolarHBondContact OE1-NH2 2.75Å; E230-G266 PolarHBondContact N-O 3.45Å; E230-R473 HydrophobicContact CB-CG 4.15Å; E230-P474 HydrophobicContact CB-CG 4.21Å; E230-P474 HydrophobicContact CG-CG 4.43Å
231	E	95.1	Very high	94.5	Very high	51 Å²	51	56.6 Å²	56.6	24%	0.238	30%	0.299	C	S	.	.	H	α-helix	trans	-68.2	-33.9	171.3	-163.8	-174.2	152.7	0	0	111.8	K227 E228 K235	K227-E231 WeakPolarHBondContact CB-OE2 3.09Å; K227-E231 WeakPolarHBondContact CD-OE2 3.4Å; K227-E231 WeakPolarHBondContact CG-OE2 3.38Å; K227-E231 PolarHBondContact N-OE2 2.67Å; E228-E231 PolarHBondContact O-N 3.29Å; E228-E231 PolarHBondContact OE1-N 3.25Å; E231-K235 WeakPolarHBondContact O-CG 3.49Å; E231-K235 PolarHBondContact O-N 2.99Å; E231-K235 VanDerWaalsContact O-N 3.13Å; E231-K235 WeakPolarHBondContact OE1-CE 3.36Å; E231-K235 IonicContact OE1-NZ 3.29Å; E231-K235 PolarHBondContact OE1-NZ 3.39Å
232	I	96.4	Very high	94.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.3	-46.7	177.1	-69.1	177.2	0	0	0	111.1	V224 E228 C229 E230 R234 K235 G236 G237 Y243 I245 M260	V224-I232 HydrophobicContact CG1-CG2 4.02Å; V224-I232 HydrophobicContact CG2-CG2 4.12Å; E228-I232 PolarHBondContact O-N 3.3Å; C229-I232 WeakPolarHBondContact O-CB 3.25Å; C229-I232 PolarHBondContact O-N 2.84Å; E230-I232 VanDerWaalsContact C-N 3.31Å; I232-R234 VanDerWaalsContact C-N 3.27Å; I232-R234 PolarHBondContact O-N 2.95Å; I232-K235 CarbonylContact O-C 3.59Å; I232-K235 WeakPolarHBondContact O-CA 3.43Å; I232-K235 PolarHBondContact O-N 3.15Å; I232-G236 PolarHBondContact O-N 3.3Å; I232-G237 PolarHBondContact O-N 3.19Å; I232-Y243 HydrophobicContact CD1-CD1 4.12Å; I232-Y243 HydrophobicContact CD1-CG 4.05Å; I232-Y243 HydrophobicContact CG2-CD1 3.76Å; I232-Y243 HydrophobicContact CG2-CE1 3.76Å; I232-Y243 HydrophobicContact CG2-CG 4.27Å; I232-I245 HydrophobicContact CD1-CG2 3.58Å; I232-M260 HydrophobicContact CB-CE 3.93Å; I232-M260 HydrophobicContact CG2-CE 3.52Å
233	I	95.9	Very high	94.9	Very high	38 Å²	38	52.1 Å²	52.1	20%	0.195	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-37.1	178.4	-163	168.7	0	0	0	111	C229 E230 K235 G236 G237 M260	C229-I233 PolarHBondContact O-N 3.11Å; E230-I233 VanDerWaalsContact O-CG2 3.24Å; E230-I233 WeakPolarHBondContact O-CG2 3.34Å; I233-K235 PolarHBondContact O-N 2.71Å; I233-G236 PolarHBondContact O-N 3.19Å; I233-G237 WeakPolarHBondContact CA-O 3.27Å; I233-M260 HydrophobicContact CB-CE 4.22Å; I233-M260 HydrophobicContact CB-SD 3.86Å; I233-M260 HydrophobicContact CD1-CB 4.1Å; I233-M260 HydrophobicContact CD1-SD 4.1Å; I233-M260 HydrophobicContact CG1-SD 4.27Å
234	R	94.6	Very high	95.1	Very high	169 Å²	169	46.9 Å²	46.9	64%	0.638	24%	0.241	S	C	*	.	H	α-helix	trans	-64.3	-25.7	172.7	-74.2	176.1	174.1	-148.3	-4.1	114.2	E230 I232 G236	E230-R234 WeakPolarHBondContact O-CB 3.41Å; E230-R234 VanDerWaalsContact O-CG 3.24Å; E230-R234 WeakPolarHBondContact O-CG 3.11Å; E230-R234 PolarHBondContact O-N 3.11Å; E230-R234 VanDerWaalsContact O-N 3.17Å; E230-R234 IonicContact OE1-CZ 2.73Å; E230-R234 IonicContact OE1-NE 3.26Å; E230-R234 PolarHBondContact OE1-NE 3.19Å; E230-R234 IonicContact OE1-NH2 2.72Å; E230-R234 PolarHBondContact OE1-NH2 2.75Å; I232-R234 VanDerWaalsContact C-N 3.27Å; I232-R234 PolarHBondContact O-N 2.95Å; R234-G236 VanDerWaalsContact C-N 3.28Å
235	K	95.7	Very high	95.1	Very high	112 Å²	112	45 Å²	45	49%	0.487	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5.8	173.6	-72.1	175.7	-176	171.9	0	113.1	V224 S225 E231 I232 I233	V224-K235 HydrophobicContact CG2-CB 3.69Å; S225-K235 WeakPolarHBondContact O-CD 3.04Å; S225-K235 PolarHBondContact O-NZ 3.4Å; E231-K235 WeakPolarHBondContact O-CG 3.49Å; E231-K235 PolarHBondContact O-N 2.99Å; E231-K235 VanDerWaalsContact O-N 3.13Å; E231-K235 WeakPolarHBondContact OE1-CE 3.36Å; E231-K235 IonicContact OE1-NZ 3.29Å; E231-K235 PolarHBondContact OE1-NZ 3.39Å; I232-K235 CarbonylContact O-C 3.59Å; I232-K235 WeakPolarHBondContact O-CA 3.43Å; I232-K235 PolarHBondContact O-N 3.15Å; I233-K235 PolarHBondContact O-N 2.71Å
236	G	93.8	Very high	95.1	Very high	51 Å²	51	46.5 Å²	46.5	53%	0.526	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	18.2	178.1	0	0	0	0	0	114.9	I232 I233 R234 E238	I232-G236 PolarHBondContact O-N 3.3Å; I233-G236 PolarHBondContact O-N 3.19Å; R234-G236 VanDerWaalsContact C-N 3.28Å; G236-E238 PolarHBondContact O-N 2.83Å
237	G	93.9	Very high	95.1	Very high	3 Å²	3	47 Å²	47	3%	0.031	23%	0.233	C	C	.	.			trans	-79.6	91.1	169.7	0	0	0	0	0	111.3	I232 I233	I232-G237 PolarHBondContact O-N 3.19Å; I233-G237 WeakPolarHBondContact CA-O 3.27Å
238	E	92.3	Very high	94.9	Very high	157 Å²	157	44.4 Å²	44.4	73%	0.734	23%	0.225	S	C	*	.			trans	-90.8	-22.5	-172.2	-64.1	178.9	176.7	0	0	114.2	G236 M260	G236-E238 PolarHBondContact O-N 2.83Å; E238-M260 VanDerWaalsContact O-CB 3.3Å; E238-M260 WeakPolarHBondContact O-CB 3.33Å
239	T	93.8	Very high	94.6	Very high	67 Å²	67	49.5 Å²	49.5	41%	0.411	26%	0.258	S	S	.	.	S	Bend	trans	-88.6	135.5	-174.9	42.2	0	0	0	0	111.9	E241 Y243 M260	T239-E241 WeakPolarHBondContact CB-OE1 3.45Å; T239-E241 PolarHBondContact O-N 2.87Å; T239-E241 PolarHBondContact OG1-OE1 3.11Å; T239-Y243 VanDerWaalsContact O-CE2 3.23Å; T239-Y243 WeakPolarHBondContact O-CE2 3.39Å; T239-Y243 PolarHBondContact O-OH 2.99Å; T239-Y243 PolarHBondContact OG1-OH 2.71Å; T239-M260 WeakPolarHBondContact O-CG 3.27Å
240	S	95.7	Very high	94.2	Very high	18 Å²	18	54.5 Å²	54.5	13%	0.126	29%	0.293	C	S	.	.			trans	-74.4	108.1	171.6	-60.3	0	0	0	0	110.4	Y257 C258 M260	S240-Y257 PolarHBondContact O-OH 2.73Å; S240-C258 VanDerWaalsContact CA-O 3.26Å; S240-C258 WeakPolarHBondContact CA-O 3.24Å; S240-M260 PolarHBondContact OG-N 3.47Å
241	E	95.1	Very high	93.8	Very high	19 Å²	19	56.9 Å²	56.9	9%	0.089	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	-175.2	-177.6	65.3	-178.4	108	0	0	111.6	P222 T239 Y243 C258 Y303 C304	P222-E241 HydrophobicContact CG-CG 4.26Å; P222-E241 WeakPolarHBondContact CG-OE2 3.3Å; T239-E241 WeakPolarHBondContact CB-OE1 3.45Å; T239-E241 PolarHBondContact O-N 2.87Å; T239-E241 PolarHBondContact OG1-OE1 3.11Å; E241-Y243 HydrophobicContact CB-CE2 4.4Å; E241-Y243 HydrophobicContact CG-CD2 4.02Å; E241-Y243 HydrophobicContact CG-CE1 4.41Å; E241-Y243 HydrophobicContact CG-CE2 3.38Å; E241-Y243 VanDerWaalsContact O-CD2 3.24Å; E241-Y243 WeakPolarHBondContact O-CD2 3.35Å; E241-C258 PolarHBondContact N-O 3.44Å; E241-C258 PolarHBondContact O-N 3.43Å; E241-Y303 HydrophobicContact CB-CD2 4.26Å; E241-Y303 WeakPolarHBondContact OE2-CD2 3.35Å; E241-C304 WeakPolarHBondContact CB-O 3.36Å
242	M	96.1	Very high	93.7	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124.5	172	-173.6	-82.7	-61.5	0	0	111.4	C219 I221 P222 R255 V256 I294 A295 C304	C219-M242 HydrophobicContact CB-CE 3.45Å; C219-M242 VanDerWaalsContact CB-CE 3.45Å; I221-M242 HydrophobicContact CG1-CE 3.99Å; P222-M242 WeakPolarHBondContact CD-O 3.35Å; P222-M242 WeakPolarHBondContact CG-O 3.28Å; M242-R255 HydrophobicContact CG-CB 4.27Å; M242-R255 HydrophobicContact SD-CB 3.85Å; M242-R255 HydrophobicContact SD-CG 3.67Å; M242-V256 WeakPolarHBondContact CA-O 3.26Å; M242-I294 HydrophobicContact CG-CG2 4.24Å; M242-A295 HydrophobicContact CB-CB 3.71Å; M242-A295 HydrophobicContact CG-CB 4.27Å; M242-C304 HydrophobicContact CB-CB 4.31Å; M242-C304 PolarHBondContact N-O 2.88Å
243	Y	96.4	Very high	93.6	Very high	3 Å²	3	65.9 Å²	65.9	1%	0.012	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	165.5	174.2	-70	-91	0	0	0	111.8	P222 V224 I232 T239 E241 R255 V256 C258 M260	P222-Y243 HydrophobicContact CB-CD1 3.85Å; P222-Y243 HydrophobicContact CB-CE1 3.8Å; P222-Y243 HydrophobicContact CG-CD1 3.91Å; P222-Y243 HydrophobicContact CG-CE1 3.93Å; V224-Y243 HydrophobicContact CG1-CD1 3.96Å; V224-Y243 HydrophobicContact CG1-CE1 3.5Å; I232-Y243 HydrophobicContact CD1-CD1 4.12Å; I232-Y243 HydrophobicContact CD1-CG 4.05Å; I232-Y243 HydrophobicContact CG2-CD1 3.76Å; I232-Y243 HydrophobicContact CG2-CE1 3.76Å; I232-Y243 HydrophobicContact CG2-CG 4.27Å; T239-Y243 VanDerWaalsContact O-CE2 3.23Å; T239-Y243 WeakPolarHBondContact O-CE2 3.39Å; T239-Y243 PolarHBondContact O-OH 2.99Å; T239-Y243 PolarHBondContact OG1-OH 2.71Å; E241-Y243 HydrophobicContact CB-CE2 4.4Å; E241-Y243 HydrophobicContact CG-CD2 4.02Å; E241-Y243 HydrophobicContact CG-CE1 4.41Å; E241-Y243 HydrophobicContact CG-CE2 3.38Å; E241-Y243 VanDerWaalsContact O-CD2 3.24Å; E241-Y243 WeakPolarHBondContact O-CD2 3.35Å; Y243-R255 WeakPolarHBondContact O-CA 3.48Å; Y243-V256 PolarHBondContact N-O 2.87Å; Y243-V256 PolarHBondContact O-N 3.12Å; Y243-C258 HydrophobicContact CD2-CB 3.58Å; Y243-C258 VanDerWaalsContact CD2-SG 3.59Å; Y243-C258 HydrophobicContact CE2-CB 3.97Å; Y243-M260 HydrophobicContact CD2-CE 4.35Å; Y243-M260 HydrophobicContact CE2-CE 3.98Å
244	L	96.6	Very high	93.6	Very high	42 Å²	42	65 Å²	65	22%	0.22	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.1	171.5	-168.8	74.1	0	0	0	109.2	I221 S225 P253 R255	I221-L244 HydrophobicContact CG2-CB 3.77Å; I221-L244 HydrophobicContact CG2-CD2 4.42Å; S225-L244 WeakPolarHBondContact CB-O 3.49Å; S225-L244 PolarHBondContact OG-O 3.24Å; L244-P253 HydrophobicContact CD1-CB 3.95Å; L244-P253 HydrophobicContact CD2-CB 3.85Å; L244-P253 HydrophobicContact CG-CB 3.71Å; L244-R255 HydrophobicContact CD1-CG 4.08Å
245	I	96.3	Very high	93.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	151.8	177.8	63.6	167.2	0	0	0	111.3	G226 I232 P247 P253 Y254 V256 T268 L320	G226-I245 WeakPolarHBondContact O-CA 3.32Å; I232-I245 HydrophobicContact CD1-CG2 3.58Å; I245-P247 HydrophobicContact CD1-CG 4.3Å; I245-P253 VanDerWaalsContact O-CA 3.25Å; I245-P253 WeakPolarHBondContact O-CA 3.48Å; I245-Y254 HydrophobicContact CD1-CD2 4.46Å; I245-Y254 HydrophobicContact CD1-CE2 3.63Å; I245-Y254 HydrophobicContact CG1-CD2 4.11Å; I245-Y254 HydrophobicContact CG1-CE2 3.73Å; I245-Y254 PolarHBondContact N-O 2.78Å; I245-Y254 PolarHBondContact O-N 2.96Å; I245-V256 HydrophobicContact CB-CG2 4.3Å; I245-V256 HydrophobicContact CD1-CB 4.36Å; I245-V256 HydrophobicContact CD1-CG1 3.61Å; I245-V256 HydrophobicContact CD1-CG2 3.85Å; I245-V256 HydrophobicContact CG1-CB 4.48Å; I245-V256 HydrophobicContact CG1-CG1 3.83Å; I245-V256 HydrophobicContact CG1-CG2 3.78Å; I245-V256 HydrophobicContact CG2-CG2 3.65Å; I245-T268 HydrophobicContact CD1-CG2 4.35Å; I245-L320 HydrophobicContact CD1-CD2 4.05Å
246	Q	95.4	Very high	93.8	Very high	74 Å²	74	57.8 Å²	57.8	35%	0.346	31%	0.314	S	S	.	.			trans	-135.5	87.1	174.3	-169.9	177.4	12.4	0	0	110.3	G226 K227 D248 I251 P253	G226-Q246 PolarHBondContact O-N 3.37Å; K227-Q246 WeakPolarHBondContact CA-O 3.44Å; Q246-D248 VanDerWaalsContact C-N 3.33Å; Q246-D248 WeakPolarHBondContact CG-O 3.37Å; Q246-D248 PolarHBondContact O-N 3.37Å; Q246-I251 PolarHBondContact NE2-O 2.99Å; Q246-P253 HydrophobicContact CB-CB 4.14Å; Q246-P253 HydrophobicContact CB-CG 4.03Å; Q246-P253 HydrophobicContact CG-CG 4.04Å
247	P	92.6	Very high	94	Very high	18 Å²	18	56.3 Å²	56.3	12%	0.117	29%	0.292	C	S	.	.	S	Bend	trans	-67.7	-33.2	-176	-10.9	20.7	0	0	0	113.8	K227 I245 Y254 L320 I323	K227-P247 WeakPolarHBondContact O-CA 3.4Å; K227-P247 WeakPolarHBondContact O-CG 3.13Å; I245-P247 HydrophobicContact CD1-CG 4.3Å; P247-Y254 HydrophobicContact CG-CE1 3.85Å; P247-Y254 WeakPolarHBondContact CG-OH 3.35Å; P247-L320 HydrophobicContact CB-CD2 4.07Å; P247-L320 HydrophobicContact CG-CD2 3.67Å; P247-L320 HydrophobicContact CG-CG 4.42Å; P247-I323 HydrophobicContact CB-CD1 3.67Å
248	D	90.1	Very high	94.2	Very high	60 Å²	60	56.2 Å²	56.2	32%	0.321	29%	0.291	S	S	.	.	S	Bend	trans	-129.1	133.9	177.9	-174.8	-19.5	0	0	0	109.2	Q246 S250 I251 Q319	Q246-D248 VanDerWaalsContact C-N 3.33Å; Q246-D248 WeakPolarHBondContact CG-O 3.37Å; Q246-D248 PolarHBondContact O-N 3.37Å; D248-S250 PolarHBondContact O-N 3.4Å; D248-S250 VanDerWaalsContact OD1-CB 3.3Å; D248-S250 WeakPolarHBondContact OD1-CB 3.45Å; D248-S250 PolarHBondContact OD1-N 3.33Å; D248-S250 PolarHBondContact OD1-OG 3.49Å; D248-I251 HydrophobicContact CB-CG1 4.31Å; D248-I251 PolarHBondContact O-N 2.96Å; D248-I251 VanDerWaalsContact O-N 3.15Å; D248-Q319 PolarHBondContact OD2-NE2 3.45Å
249	T	88.4	Confident	94.4	Very high	126 Å²	126	49.6 Å²	49.6	77%	0.773	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-21.3	179.3	50.6	0	0	0	0	112.6	I251	T249-I251 VanDerWaalsContact C-N 3.32Å
250	S	87.9	Confident	94.6	Very high	105 Å²	105	47 Å²	47	73%	0.734	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.2	177.9	-46	0	0	0	0	113.3	D248	D248-S250 PolarHBondContact O-N 3.4Å; D248-S250 VanDerWaalsContact OD1-CB 3.3Å; D248-S250 WeakPolarHBondContact OD1-CB 3.45Å; D248-S250 PolarHBondContact OD1-N 3.33Å; D248-S250 PolarHBondContact OD1-OG 3.49Å
251	I	88.1	Confident	94.5	Very high	78 Å²	78	53.3 Å²	53.3	40%	0.4	27%	0.271	S	S	.	.	S	Bend	trans	-110.6	146.4	-177.7	-53.8	-161.6	0	0	0	110	Q246 D248 T249	Q246-I251 PolarHBondContact NE2-O 2.99Å; D248-I251 HydrophobicContact CB-CG1 4.31Å; D248-I251 PolarHBondContact O-N 2.96Å; D248-I251 VanDerWaalsContact O-N 3.15Å; T249-I251 VanDerWaalsContact C-N 3.32Å
252	K	92.6	Very high	94.4	Very high	183 Å²	183	54.1 Å²	54.1	80%	0.796	28%	0.278	S	S	*	.			trans	-63.2	136.7	174.4	-67.4	-176.7	-180	178.8	0	110.1
253	P	95.2	Very high	94.2	Very high	56 Å²	56	57.2 Å²	57.2	36%	0.364	29%	0.292	S	S	.	.			trans	-55.5	144.9	173.4	-21.3	29.8	0	0	0	111.4	L244 I245 Q246	L244-P253 HydrophobicContact CD1-CB 3.95Å; L244-P253 HydrophobicContact CD2-CB 3.85Å; L244-P253 HydrophobicContact CG-CB 3.71Å; I245-P253 VanDerWaalsContact O-CA 3.25Å; I245-P253 WeakPolarHBondContact O-CA 3.48Å; Q246-P253 HydrophobicContact CB-CB 4.14Å; Q246-P253 HydrophobicContact CB-CG 4.03Å; Q246-P253 HydrophobicContact CG-CG 4.04Å
254	Y	96.1	Very high	94	Very high	20 Å²	20	64.2 Å²	64.2	8%	0.078	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.3	179.3	58.4	-95.6	0	0	0	111.5	I245 P247 V256 L312 K316 L320	I245-Y254 HydrophobicContact CD1-CD2 4.46Å; I245-Y254 HydrophobicContact CD1-CE2 3.63Å; I245-Y254 HydrophobicContact CG1-CD2 4.11Å; I245-Y254 HydrophobicContact CG1-CE2 3.73Å; I245-Y254 PolarHBondContact N-O 2.78Å; I245-Y254 PolarHBondContact O-N 2.96Å; P247-Y254 HydrophobicContact CG-CE1 3.85Å; P247-Y254 WeakPolarHBondContact CG-OH 3.35Å; Y254-V256 HydrophobicContact CD2-CG1 3.76Å; Y254-V256 HydrophobicContact CE2-CG1 3.59Å; Y254-L312 HydrophobicContact CD2-CD1 4.22Å; Y254-L312 HydrophobicContact CE2-CD1 4.13Å; Y254-L312 HydrophobicContact CE2-CD2 4.33Å; Y254-K316 HydrophobicContact CD1-CD 4.29Å; Y254-K316 HydrophobicContact CD1-CG 4.42Å; Y254-K316 HydrophobicContact CD2-CD 3.91Å; Y254-K316 HydrophobicContact CE1-CD 4.35Å; Y254-K316 HydrophobicContact CE1-CG 4.11Å; Y254-K316 HydrophobicContact CE2-CB 4.35Å; Y254-K316 HydrophobicContact CE2-CD 3.98Å; Y254-K316 HydrophobicContact CE2-CG 4.35Å; Y254-K316 HydrophobicContact CG-CD 4.07Å; Y254-L320 WeakPolarHBondContact OH-CG 3.39Å
255	R	96.4	Very high	93.9	Very high	130 Å²	130	62.2 Å²	62.2	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	141.6	-177.2	-64	179.8	-175.7	87.8	-0.4	110	M242 Y243 L244 I294	M242-R255 HydrophobicContact CG-CB 4.27Å; M242-R255 HydrophobicContact SD-CB 3.85Å; M242-R255 HydrophobicContact SD-CG 3.67Å; Y243-R255 WeakPolarHBondContact O-CA 3.48Å; L244-R255 HydrophobicContact CD1-CG 4.08Å; R255-I294 HydrophobicContact CB-CD1 3.65Å; R255-I294 VanDerWaalsContact O-CD1 3.28Å; R255-I294 WeakPolarHBondContact O-CD1 3.04Å
256	V	97.3	Very high	93.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	158	174.3	-65.7	0	0	0	0	109.5	M242 Y243 I245 Y254 T268 L312	M242-V256 WeakPolarHBondContact CA-O 3.26Å; Y243-V256 PolarHBondContact N-O 2.87Å; Y243-V256 PolarHBondContact O-N 3.12Å; I245-V256 HydrophobicContact CB-CG2 4.3Å; I245-V256 HydrophobicContact CD1-CB 4.36Å; I245-V256 HydrophobicContact CD1-CG1 3.61Å; I245-V256 HydrophobicContact CD1-CG2 3.85Å; I245-V256 HydrophobicContact CG1-CB 4.48Å; I245-V256 HydrophobicContact CG1-CG1 3.83Å; I245-V256 HydrophobicContact CG1-CG2 3.78Å; I245-V256 HydrophobicContact CG2-CG2 3.65Å; Y254-V256 HydrophobicContact CD2-CG1 3.76Å; Y254-V256 HydrophobicContact CE2-CG1 3.59Å; V256-T268 HydrophobicContact CB-CG2 4.24Å; V256-T268 HydrophobicContact CG1-CG2 4.22Å; V256-T268 HydrophobicContact CG2-CG2 4.37Å; V256-L312 HydrophobicContact CG1-CD1 3.77Å; V256-L312 HydrophobicContact CG1-CD2 4.26Å
257	Y	97.7	Very high	93.9	Very high	20 Å²	20	58.7 Å²	58.7	8%	0.078	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.7	166.7	-169.3	-87.1	0	0	0	108.8	S240 V269 A295 G305 P307 Y310	S240-Y257 PolarHBondContact O-OH 2.73Å; Y257-V269 HydrophobicContact CD1-CG2 3.91Å; Y257-V269 PolarHBondContact O-N 3.19Å; Y257-A295 HydrophobicContact CD2-CB 4.07Å; Y257-G305 WeakPolarHBondContact CE2-O 3.23Å; Y257-G305 PolarHBondContact OH-O 3.23Å; Y257-P307 HydrophobicContact CD1-CB 4.05Å; Y257-P307 HydrophobicContact CD2-CB 3.95Å; Y257-P307 HydrophobicContact CE1-CB 4.07Å; Y257-P307 HydrophobicContact CE1-CG 4.3Å; Y257-P307 HydrophobicContact CE2-CB 3.98Å; Y257-P307 HydrophobicContact CE2-CG 4.43Å; Y257-P307 HydrophobicContact CG-CB 3.98Å; Y257-Y310 WeakPolarHBondContact CB-OH 3.31Å; Y257-Y310 PolarHBondContact N-OH 3.21Å
258	C	97.8	Very high	94.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.4	174.8	-62.1	0	0	0	0	109.8	C229 S240 E241 Y243 M260 W267	C229-C258 HydrophobicContact CB-CB 3.63Å; C229-C258 WeakPolarHBondContact CB-SG 3.49Å; C229-C258 WeakPolarHBondContact SG-CA 3.31Å; C229-C258 WeakPolarHBondContact SG-CB 3.43Å; C229-C258 CovalentContact SG-SG 2.03Å; C229-C258 PolarHBondContact SG-SG 2.86Å; S240-C258 VanDerWaalsContact CA-O 3.26Å; S240-C258 WeakPolarHBondContact CA-O 3.24Å; E241-C258 PolarHBondContact N-O 3.44Å; E241-C258 PolarHBondContact O-N 3.43Å; Y243-C258 HydrophobicContact CD2-CB 3.58Å; Y243-C258 VanDerWaalsContact CD2-SG 3.59Å; Y243-C258 HydrophobicContact CE2-CB 3.97Å; C258-M260 HydrophobicContact CB-CE 3.41Å; C258-M260 VanDerWaalsContact CB-CE 3.41Å; C258-M260 HydrophobicContact CB-CG 4.3Å; C258-M260 HydrophobicContact CB-SD 3.81Å; C258-W267 WeakPolarHBondContact CA-O 3.41Å
259	D	97.6	Very high	94.6	Very high	18 Å²	18	55.4 Å²	55.4	10%	0.096	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	108.6	168.6	173.3	-2.4	0	0	0	108.5	E261 T262 G265 G266 W267 V269 K471	D259-E261 PolarHBondContact OD1-N 3.33Å; D259-T262 PolarHBondContact OD1-N 2.55Å; D259-T262 PolarHBondContact OD1-OG1 2.91Å; D259-T262 WeakPolarHBondContact OD2-CB 3.41Å; D259-T262 PolarHBondContact OD2-OG1 3.32Å; D259-G265 CarbonylContact O-C 3.26Å; D259-G265 WeakPolarHBondContact O-CA 3.43Å; D259-G266 PolarHBondContact O-N 3.28Å; D259-W267 HydrophobicContact CB-CB 4.06Å; D259-W267 PolarHBondContact N-O 3.38Å; D259-W267 PolarHBondContact O-N 3.4Å; D259-V269 HydrophobicContact CB-CG2 4.42Å; D259-K471 IonicContact OD2-NZ 2.66Å; D259-K471 PolarHBondContact OD2-NZ 2.88Å
260	M	96.3	Very high	95.1	Very high	12 Å²	12	49.4 Å²	49.4	6%	0.059	25%	0.248	C	C	.	.			trans	-99.9	1.9	-175.7	-56.8	-50.5	-158.1	0	0	112.7	C229 I232 I233 E238 T239 S240 Y243 C258 G265	C229-M260 HydrophobicContact CB-CE 4.28Å; I232-M260 HydrophobicContact CB-CE 3.93Å; I232-M260 HydrophobicContact CG2-CE 3.52Å; I233-M260 HydrophobicContact CB-CE 4.22Å; I233-M260 HydrophobicContact CB-SD 3.86Å; I233-M260 HydrophobicContact CD1-CB 4.1Å; I233-M260 HydrophobicContact CD1-SD 4.1Å; I233-M260 HydrophobicContact CG1-SD 4.27Å; E238-M260 VanDerWaalsContact O-CB 3.3Å; E238-M260 WeakPolarHBondContact O-CB 3.33Å; T239-M260 WeakPolarHBondContact O-CG 3.27Å; S240-M260 PolarHBondContact OG-N 3.47Å; Y243-M260 HydrophobicContact CD2-CE 4.35Å; Y243-M260 HydrophobicContact CE2-CE 3.98Å; C258-M260 HydrophobicContact CB-CE 3.41Å; C258-M260 VanDerWaalsContact CB-CE 3.41Å; C258-M260 HydrophobicContact CB-CG 4.3Å; C258-M260 HydrophobicContact CB-SD 3.81Å; M260-G265 WeakPolarHBondContact O-CA 3.28Å
261	E	95.3	Very high	95.6	Very high	151 Å²	151	44.4 Å²	44.4	71%	0.706	21%	0.213	S	C	*	.	S	Bend	trans	-109.8	-41.9	-174.4	-68	176.8	-161.4	0	0	112.3	D259 E263	D259-E261 PolarHBondContact OD1-N 3.33Å; E261-E263 PolarHBondContact O-N 2.89Å
262	T	93.4	Very high	96.1	Very high	37 Å²	37	41.3 Å²	41.3	23%	0.227	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-70.3	129.5	-174	-56.4	0	0	0	0	111.7	D259 N264 G265 W267 L329 K471	D259-T262 PolarHBondContact OD1-N 2.55Å; D259-T262 PolarHBondContact OD1-OG1 2.91Å; D259-T262 WeakPolarHBondContact OD2-CB 3.41Å; D259-T262 PolarHBondContact OD2-OG1 3.32Å; T262-N264 VanDerWaalsContact C-N 3.34Å; T262-N264 PolarHBondContact O-N 2.96Å; T262-G265 PolarHBondContact O-N 2.82Å; T262-W267 PolarHBondContact O-NE1 3.28Å; T262-L329 HydrophobicContact CG2-CD2 4.13Å; T262-K471 PolarHBondContact OG1-NZ 2.77Å
263	E	90.9	Very high	96.3	Very high	69 Å²	69	32.9 Å²	32.9	32%	0.322	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	46.3	49.7	176.2	-62	-164.6	165.8	0	0	114.4	E261 G265 W267 K341 R473	E261-E263 PolarHBondContact O-N 2.89Å; E263-G265 VanDerWaalsContact C-N 3.32Å; E263-W267 HydrophobicContact CB-CZ2 4.4Å; E263-K341 IonicContact OE1-NZ 3.4Å; E263-K341 PolarHBondContact OE1-NZ 2.77Å; E263-R473 PolarHBondContact O-NH1 2.89Å
264	N	91.8	Very high	96.4	Very high	149 Å²	149	32.6 Å²	32.6	80%	0.797	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	74.4	9.9	-176.3	-46.9	-43.8	0	0	0	115.6	T262	T262-N264 VanDerWaalsContact C-N 3.34Å; T262-N264 PolarHBondContact O-N 2.96Å
265	G	94.2	Very high	96.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	73.3	-163.4	175.1	0	0	0	0	0	114.3	D259 M260 T262 E263 W267 R473	D259-G265 CarbonylContact O-C 3.26Å; D259-G265 WeakPolarHBondContact O-CA 3.43Å; M260-G265 WeakPolarHBondContact O-CA 3.28Å; T262-G265 PolarHBondContact O-N 2.82Å; E263-G265 VanDerWaalsContact C-N 3.32Å; G265-W267 VanDerWaalsContact C-N 3.3Å; G265-W267 PolarHBondContact O-N 2.62Å; G265-R473 WeakPolarHBondContact O-CD 3.49Å; G265-R473 PolarHBondContact O-NH1 3.16Å
266	G	95.5	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.			trans	77.3	13.4	-178.1	0	0	0	0	0	114	E230 D259	E230-G266 PolarHBondContact N-O 3.45Å; D259-G266 PolarHBondContact O-N 3.28Å
267	W	97.8	Very high	96.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.2	-176.8	-68.9	102.2	0	0	0	111.7	C258 D259 T262 E263 G265 E327 L329 K471 R473	C258-W267 WeakPolarHBondContact CA-O 3.41Å; D259-W267 HydrophobicContact CB-CB 4.06Å; D259-W267 PolarHBondContact N-O 3.38Å; D259-W267 PolarHBondContact O-N 3.4Å; T262-W267 PolarHBondContact O-NE1 3.28Å; E263-W267 HydrophobicContact CB-CZ2 4.4Å; G265-W267 VanDerWaalsContact C-N 3.3Å; G265-W267 PolarHBondContact O-N 2.62Å; W267-E327 HydrophobicContact CH2-CG 4Å; W267-E327 HydrophobicContact CZ3-CG 4.14Å; W267-L329 HydrophobicContact CE3-CB 4.15Å; W267-L329 HydrophobicContact CH2-CB 3.53Å; W267-L329 HydrophobicContact CH2-CD2 4.24Å; W267-L329 HydrophobicContact CH2-CG 4.48Å; W267-L329 HydrophobicContact CZ2-CB 4.05Å; W267-L329 HydrophobicContact CZ2-CD2 3.87Å; W267-L329 HydrophobicContact CZ3-CB 3.58Å; W267-K471 HydrophobicContact CB-CB 4.06Å; W267-K471 HydrophobicContact CB-CD 3.56Å; W267-K471 HydrophobicContact CB-CG 3.99Å; W267-K471 HydrophobicContact CD2-CD 3.81Å; W267-K471 HydrophobicContact CD2-CG 3.86Å; W267-K471 HydrophobicContact CE3-CB 4.23Å; W267-K471 HydrophobicContact CE3-CD 4.14Å; W267-K471 HydrophobicContact CE3-CG 3.64Å; W267-K471 HydrophobicContact CG-CD 3.56Å; W267-K471 HydrophobicContact CG-CG 4.04Å; W267-K471 HydrophobicContact CZ3-CG 4.4Å; W267-R473 HydrophobicContact CD2-CB 4.09Å; W267-R473 HydrophobicContact CE3-CB 3.61Å; W267-R473 HydrophobicContact CH2-CB 4.28Å; W267-R473 HydrophobicContact CZ3-CB 3.72Å
268	T	98	Very high	96.2	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.4	170.8	-52.5	0	0	0	0	109.2	C229 I245 V256 I270 L320 K471 I472	C229-T268 WeakPolarHBondContact CB-OG1 3.17Å; C229-T268 PolarHBondContact N-OG1 3.05Å; C229-T268 VanDerWaalsContact SG-CA 3.56Å; C229-T268 PolarHBondContact SG-OG1 2.84Å; I245-T268 HydrophobicContact CD1-CG2 4.35Å; V256-T268 HydrophobicContact CB-CG2 4.24Å; V256-T268 HydrophobicContact CG1-CG2 4.22Å; V256-T268 HydrophobicContact CG2-CG2 4.37Å; T268-I270 PolarHBondContact O-N 3.41Å; T268-L320 HydrophobicContact CG2-CD1 4.27Å; T268-K471 CarbonylContact O-C 3.46Å; T268-K471 VanDerWaalsContact O-CA 3.29Å; T268-K471 WeakPolarHBondContact O-CA 3.32Å; T268-I472 PolarHBondContact N-O 3.06Å; T268-I472 PolarHBondContact O-N 2.98Å
269	V	98.3	Very high	96.2	Very high	9 Å²	9	38 Å²	38	6%	0.055	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.6	177.7	-179.5	0	0	0	0	109.4	Y257 D259 Q271 N272 Y310 K471	Y257-V269 HydrophobicContact CD1-CG2 3.91Å; Y257-V269 PolarHBondContact O-N 3.19Å; D259-V269 HydrophobicContact CB-CG2 4.42Å; V269-Q271 WeakPolarHBondContact CG1-O 3.41Å; V269-N272 HydrophobicContact CG1-CB 4.19Å; V269-Y310 WeakPolarHBondContact CB-OH 3.37Å; V269-Y310 HydrophobicContact CG1-CE1 4.15Å; V269-Y310 WeakPolarHBondContact CG1-OH 3.34Å; V269-Y310 PolarHBondContact O-OH 3.1Å; V269-K471 HydrophobicContact CG2-CB 4.12Å
270	I	98.3	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-23	-178.8	59.8	166.9	0	0	0	112.9	T268 L312 I317 L328 F347 M470 I472	T268-I270 PolarHBondContact O-N 3.41Å; I270-L312 HydrophobicContact CB-CB 4.37Å; I270-L312 HydrophobicContact CB-CD2 4.47Å; I270-L312 HydrophobicContact CG2-CD2 3.88Å; I270-L312 WeakPolarHBondContact O-CB 3.05Å; I270-L312 PolarHBondContact O-N 3.44Å; I270-I317 HydrophobicContact CB-CD1 4.12Å; I270-I317 HydrophobicContact CB-CG1 4.03Å; I270-I317 HydrophobicContact CD1-CD1 4.37Å; I270-I317 HydrophobicContact CD1-CG1 4.49Å; I270-I317 HydrophobicContact CD1-CG2 4.12Å; I270-I317 HydrophobicContact CG2-CG1 4.11Å; I270-L328 HydrophobicContact CD1-CD1 4.34Å; I270-F347 HydrophobicContact CD1-CE1 4.02Å; I270-F347 HydrophobicContact CD1-CZ 4.25Å; I270-M470 HydrophobicContact CD1-CB 4.22Å; I270-M470 HydrophobicContact CD1-CE 4.36Å; I270-M470 HydrophobicContact CG1-CB 3.79Å; I270-M470 VanDerWaalsContact CG1-O 3.26Å; I270-M470 WeakPolarHBondContact CG1-O 3.18Å; I270-M470 PolarHBondContact N-O 2.94Å; I270-I472 HydrophobicContact CD1-CG2 3.8Å; I270-I472 HydrophobicContact CG1-CG2 4.39Å; I270-I472 HydrophobicContact CG2-CD1 3.79Å; I270-I472 HydrophobicContact CG2-CG1 3.85Å
271	Q	98.5	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	140.2	174.2	-168.4	-96.4	53.4	0	0	109.3	V269 F280 Y310 W311 P430 N431 M468 S469 M470	V269-Q271 WeakPolarHBondContact CG1-O 3.41Å; Q271-F280 HydrophobicContact CG-CE1 4.17Å; Q271-Y310 WeakPolarHBondContact CA-O 3.31Å; Q271-W311 HydrophobicContact CB-CE3 3.72Å; Q271-W311 HydrophobicContact CB-CZ3 3.77Å; Q271-W311 HydrophobicContact CG-CE3 3.5Å; Q271-W311 VanDerWaalsContact CG-CE3 3.5Å; Q271-W311 HydrophobicContact CG-CZ3 3.73Å; Q271-P430 VanDerWaalsContact NE2-CB 3.35Å; Q271-P430 PolarHBondContact NE2-O 3.38Å; Q271-N431 PolarHBondContact NE2-OD1 2.84Å; Q271-M468 PolarHBondContact OE1-O 2.75Å; Q271-S469 WeakPolarHBondContact O-CA 3.39Å; Q271-M470 HydrophobicContact CB-CB 3.89Å; Q271-M470 HydrophobicContact CB-CG 4.01Å; Q271-M470 HydrophobicContact CB-SD 4Å; Q271-M470 HydrophobicContact CG-SD 4.43Å; Q271-M470 PolarHBondContact N-O 2.79Å; Q271-M470 PolarHBondContact O-N 3.08Å
272	N	98.3	Very high	96.4	Very high	13 Å²	13	34.9 Å²	34.9	7%	0.07	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	139.9	170	-171	51.7	0	0	0	112.4	V269 Q274 G308 E309 Y310 M468	V269-N272 HydrophobicContact CG1-CB 4.19Å; N272-Q274 PolarHBondContact ND2-OE1 2.84Å; N272-Q274 VanDerWaalsContact ND2-OE1 3.15Å; N272-G308 WeakPolarHBondContact CB-O 3.42Å; N272-G308 PolarHBondContact ND2-O 3.44Å; N272-E309 VanDerWaalsContact O-CA 3.3Å; N272-E309 WeakPolarHBondContact O-CA 3.02Å; N272-Y310 HydrophobicContact CB-CD1 4.42Å; N272-Y310 HydrophobicContact CB-CE1 4.37Å; N272-Y310 PolarHBondContact N-O 2.75Å; N272-Y310 VanDerWaalsContact N-O 3.12Å; N272-Y310 PolarHBondContact O-N 3.06Å; N272-M468 CarbonylContact C-O 3.55Å; N272-M468 WeakPolarHBondContact CA-O 3.31Å
273	R	98.2	Very high	96.7	Very high	6 Å²	6	37.5 Å²	37.5	2%	0.023	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.9	171.5	-45.5	-67.4	-72.1	130.6	-4.9	108.8	V278 F280 E309 K467 M468	R273-V278 PolarHBondContact NH1-O 3.18Å; R273-V278 PolarHBondContact NH2-O 3.28Å; R273-F280 VanDerWaalsContact CZ-CE2 3.44Å; R273-E309 WeakPolarHBondContact CA-OE1 3.46Å; R273-E309 IonicContact CZ-OE1 2.75Å; R273-E309 IonicContact CZ-OE2 3.85Å; R273-E309 IonicContact NH1-OE1 2.82Å; R273-E309 PolarHBondContact NH1-OE1 2.86Å; R273-E309 IonicContact NH1-OE2 3.21Å; R273-E309 PolarHBondContact NH1-OE2 2.81Å; R273-K467 VanDerWaalsContact O-CA 3.3Å; R273-K467 WeakPolarHBondContact O-CA 3.45Å; R273-M468 HydrophobicContact CB-CB 4.14Å; R273-M468 HydrophobicContact CG-CB 4.19Å; R273-M468 PolarHBondContact N-O 3.36Å; R273-M468 PolarHBondContact O-N 3.3Å
274	Q	96.6	Very high	97	Very high	50 Å²	50	34.4 Å²	34.4	23%	0.234	19%	0.193	C	C	.	.	S	Bend	trans	-155.3	-22.9	-178.3	71.1	-170.9	26.9	0	0	115.6	N272 P307 E309 Y434 R466 K467	N272-Q274 PolarHBondContact ND2-OE1 2.84Å; N272-Q274 VanDerWaalsContact ND2-OE1 3.15Å; Q274-P307 PolarHBondContact NE2-O 3.33Å; Q274-P307 VanDerWaalsContact NE2-O 3.1Å; Q274-P307 PolarHBondContact OE1-O 3.4Å; Q274-E309 HydrophobicContact CG-CG 4.03Å; Q274-E309 PolarHBondContact N-OE1 2.97Å; Q274-Y434 PolarHBondContact O-OH 2.77Å; Q274-Y434 VanDerWaalsContact O-OH 3.05Å; Q274-R466 CarbonylContact C-O 3.59Å; Q274-R466 WeakPolarHBondContact CA-O 3.39Å; Q274-K467 HydrophobicContact CB-CG 4.33Å
275	D	95.4	Very high	97.3	Very high	68 Å²	68	31.6 Å²	31.6	36%	0.364	18%	0.178	S	C	.	.	S	Bend	trans	-148.5	-10	-168.5	55.8	23.8	0	0	0	114.9	S277 E309	D275-S277 VanDerWaalsContact C-N 3.31Å; D275-S277 WeakPolarHBondContact OD1-CB 3.36Å; D275-S277 PolarHBondContact OD1-N 3.32Å; D275-S277 PolarHBondContact OD1-OG 2.61Å; D275-E309 PolarHBondContact N-OE1 3.09Å; D275-E309 VanDerWaalsContact OD1-CG 3.27Å; D275-E309 WeakPolarHBondContact OD1-CG 3.45Å
276	G	95.9	Very high	97.5	Very high	35 Å²	35	33.5 Å²	33.5	36%	0.361	19%	0.19	S	C	.	.	S	Bend	trans	73.6	19.7	-176.8	0	0	0	0	0	114	V278 E309	G276-V278 VanDerWaalsContact C-N 3.31Å; G276-V278 PolarHBondContact O-N 2.94Å; G276-E309 VanDerWaalsContact C-OE2 3.31Å; G276-E309 WeakPolarHBondContact CA-OE2 3.33Å; G276-E309 VanDerWaalsContact N-CD 3.28Å; G276-E309 PolarHBondContact N-OE1 3.32Å; G276-E309 PolarHBondContact N-OE2 3.48Å
277	S	95.8	Very high	97.6	Very high	74 Å²	74	33.5 Å²	33.5	52%	0.517	19%	0.19	S	C	.	.			trans	-70	-22.6	178.6	58.8	0	0	0	0	114.4	D275 E309	D275-S277 VanDerWaalsContact C-N 3.31Å; D275-S277 WeakPolarHBondContact OD1-CB 3.36Å; D275-S277 PolarHBondContact OD1-N 3.32Å; D275-S277 PolarHBondContact OD1-OG 2.61Å; S277-E309 PolarHBondContact N-OE2 3.4Å; S277-E309 PolarHBondContact OG-OE2 2.92Å
278	V	97.4	Very high	97.7	Very high	10 Å²	10	35.9 Å²	35.9	6%	0.061	20%	0.2	C	C	.	.	S	Bend	trans	-118.5	133.7	-179.2	177	0	0	0	0	111.2	R273 G276 F280 F291 E309	R273-V278 PolarHBondContact NH1-O 3.18Å; R273-V278 PolarHBondContact NH2-O 3.28Å; G276-V278 VanDerWaalsContact C-N 3.31Å; G276-V278 PolarHBondContact O-N 2.94Å; V278-F280 HydrophobicContact CB-CD2 4.5Å; V278-F280 HydrophobicContact CB-CE2 4.15Å; V278-F280 HydrophobicContact CG1-CD2 4.19Å; V278-F280 HydrophobicContact CG1-CE2 3.97Å; V278-F280 WeakPolarHBondContact O-CD2 3.25Å; V278-F291 HydrophobicContact CG1-CD2 3.88Å; V278-F291 HydrophobicContact CG1-CE2 4.13Å; V278-E309 HydrophobicContact CB-CB 3.91Å; V278-E309 HydrophobicContact CG2-CB 3.94Å; V278-E309 WeakPolarHBondContact CG2-O 3.34Å; V278-E309 PolarHBondContact N-OE2 2.51Å
279	D	97.6	Very high	97.6	Very high	97 Å²	97	42.1 Å²	42.1	52%	0.519	23%	0.229	S	C	.	.			trans	-76.4	125.6	172.2	-175.7	19.9	0	0	0	111.4	G281 R282	D279-G281 PolarHBondContact OD1-N 2.97Å; D279-R282 PolarHBondContact O-NE 3.02Å; D279-R282 PolarHBondContact O-NH2 3.38Å
280	F	98.1	Very high	97.6	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.013	24%	0.238	C	C	.	.			trans	-101.2	-6.9	178.5	-84.4	-121.3	0	0	0	112.3	Q271 R273 V278 R282 Y287 F291 E309 W311 N431	Q271-F280 HydrophobicContact CG-CE1 4.17Å; R273-F280 VanDerWaalsContact CZ-CE2 3.44Å; V278-F280 HydrophobicContact CB-CD2 4.5Å; V278-F280 HydrophobicContact CB-CE2 4.15Å; V278-F280 HydrophobicContact CG1-CD2 4.19Å; V278-F280 HydrophobicContact CG1-CE2 3.97Å; V278-F280 WeakPolarHBondContact O-CD2 3.25Å; F280-R282 PolarHBondContact O-N 3.11Å; F280-Y287 WeakPolarHBondContact O-CE2 3.3Å; F280-Y287 PolarHBondContact O-OH 3.33Å; F280-F291 HydrophobicContact CB-CE2 4.47Å; F280-F291 HydrophobicContact CB-CZ 4.41Å; F280-F291 HydrophobicContact CD1-CE2 4.09Å; F280-F291 AromaticContact CD1-CZ 3.93Å; F280-F291 HydrophobicContact CD1-CZ 3.93Å; F280-F291 AromaticContact CD2-CE2 3.74Å; F280-F291 HydrophobicContact CD2-CE2 3.74Å; F280-F291 HydrophobicContact CD2-CZ 4.35Å; F280-F291 HydrophobicContact CE1-CE2 4.24Å; F280-F291 HydrophobicContact CE1-CZ 4.25Å; F280-F291 AromaticContact CE2-CE2 3.86Å; F280-F291 HydrophobicContact CE2-CE2 3.86Å; F280-F291 AromaticContact CG-CE2 3.85Å; F280-F291 HydrophobicContact CG-CE2 3.85Å; F280-F291 AromaticContact CG-CZ 3.99Å; F280-F291 HydrophobicContact CG-CZ 3.99Å; F280-F291 HydrophobicContact CZ-CE2 4.13Å; F280-E309 HydrophobicContact CE2-CB 4.46Å; F280-W311 HydrophobicContact CE1-CB 4.4Å; F280-N431 WeakPolarHBondContact CB-O 3.27Å; F280-N431 HydrophobicContact CD1-CB 3.96Å
281	G	97.1	Very high	97.6	Very high	25 Å²	25	43.6 Å²	43.6	26%	0.258	24%	0.242	S	C	.	.			trans	-73.8	62.1	174	0	0	0	0	0	112.9	D279 Y396	D279-G281 PolarHBondContact OD1-N 2.97Å; G281-Y396 WeakPolarHBondContact O-CE1 3.31Å
282	R	97.9	Very high	97.5	Very high	86 Å²	86	45.2 Å²	45.2	33%	0.325	26%	0.258	S	S	.	.			trans	-111.6	160.4	-172.3	-57.1	-162.2	-174.2	-130	-2.8	113.8	D279 F280 P286 Y287 F291 Y396	D279-R282 PolarHBondContact O-NE 3.02Å; D279-R282 PolarHBondContact O-NH2 3.38Å; F280-R282 PolarHBondContact O-N 3.11Å; R282-P286 HydrophobicContact CB-CB 3.84Å; R282-P286 HydrophobicContact CB-CG 4.24Å; R282-P286 HydrophobicContact CG-CB 4.49Å; R282-Y287 HydrophobicContact CB-CD2 4.16Å; R282-Y287 HydrophobicContact CB-CE2 4.06Å; R282-F291 HydrophobicContact CB-CE1 4.42Å; R282-F291 HydrophobicContact CG-CE1 4.42Å; R282-F291 HydrophobicContact CG-CZ 4.39Å; R282-F291 VanDerWaalsContact NE-CD2 3.3Å; R282-Y396 WeakPolarHBondContact O-CD1 3.05Å
283	Q	98.1	Very high	97.5	Very high	93 Å²	93	47.8 Å²	47.8	44%	0.435	27%	0.272	S	S	.	.			trans	-70.2	175.2	177.5	-65.1	-176.5	-15.7	0	0	112.2	D285 P286 Y287 Y396 D397	Q283-D285 PolarHBondContact O-N 3.37Å; Q283-P286 HydrophobicContact CB-CG 4.32Å; Q283-P286 VanDerWaalsContact O-CD 3.31Å; Q283-P286 WeakPolarHBondContact O-CD 3.39Å; Q283-Y287 PolarHBondContact O-N 3.43Å; Q283-Y396 HydrophobicContact CG-CE1 3.86Å; Q283-Y396 HydrophobicContact CG-CE2 3.9Å; Q283-Y396 WeakPolarHBondContact CG-OH 3.42Å; Q283-Y396 PolarHBondContact NE2-OH 3.47Å; Q283-D397 VanDerWaalsContact CA-OD1 3.25Å; Q283-D397 WeakPolarHBondContact CA-OD1 3.27Å; Q283-D397 HydrophobicContact CG-CB 4.44Å
284	W	98.3	Very high	97.3	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-55.2	-52.5	178	-175.1	-94.4	0	0	0	113.8	Y287 K288 E352 Y356 F393 T395 D397 R398	W284-Y287 PolarHBondContact O-N 3.29Å; W284-Y287 VanDerWaalsContact O-N 3.09Å; W284-K288 PolarHBondContact O-N 3.47Å; W284-E352 HydrophobicContact CZ2-CG 4.29Å; W284-E352 PolarHBondContact NE1-OE1 3.19Å; W284-Y356 AromaticContact CE2-CE2 3.78Å; W284-Y356 AromaticContact CH2-CD2 3.61Å; W284-Y356 HydrophobicContact CH2-CD2 3.61Å; W284-Y356 AromaticContact CH2-CE2 4Å; W284-Y356 HydrophobicContact CH2-CE2 4Å; W284-Y356 AromaticContact CZ2-CD2 3.32Å; W284-Y356 HydrophobicContact CZ2-CD2 3.32Å; W284-Y356 AromaticContact CZ2-CE2 3.21Å; W284-Y356 HydrophobicContact CZ2-CE2 3.21Å; W284-F393 HydrophobicContact CE3-CD1 4.41Å; W284-F393 HydrophobicContact CH2-CB 4.21Å; W284-F393 HydrophobicContact CH2-CD1 4.33Å; W284-F393 HydrophobicContact CZ3-CB 4.29Å; W284-F393 AromaticContact CZ3-CD1 3.87Å; W284-F393 HydrophobicContact CZ3-CD1 3.87Å; W284-F393 VanDerWaalsContact CZ3-O 3.27Å; W284-F393 WeakPolarHBondContact CZ3-O 3.32Å; W284-T395 WeakPolarHBondContact CA-OG1 2.98Å; W284-T395 HydrophobicContact CE3-CG2 4.07Å; W284-T395 PolarHBondContact N-OG1 2.87Å; W284-D397 PolarHBondContact N-OD1 2.99Å; W284-D397 PolarHBondContact N-OD2 3.36Å; W284-R398 HydrophobicContact CB-CB 4.29Å; W284-R398 HydrophobicContact CD2-CB 4.36Å; W284-R398 HydrophobicContact CD2-CG 4.3Å; W284-R398 VanDerWaalsContact CD2-CZ 3.42Å; W284-R398 HydrophobicContact CE3-CB 3.8Å; W284-R398 HydrophobicContact CE3-CG 3.82Å; W284-R398 VanDerWaalsContact CE3-NE 3.33Å; W284-R398 VanDerWaalsContact CZ2-CZ 3.47Å; W284-R398 HydrophobicContact CZ3-CB 4.48Å; W284-R398 HydrophobicContact CZ3-CG 4.16Å
285	D	98.3	Very high	97.3	Very high	89 Å²	89	47.4 Å²	47.4	48%	0.476	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-43.1	-174.1	-76.7	-17.9	0	0	0	113.4	Q283 Y287 K288 Q289	Q283-D285 PolarHBondContact O-N 3.37Å; D285-Y287 PolarHBondContact O-N 3.14Å; D285-K288 WeakPolarHBondContact O-CB 3.47Å; D285-K288 PolarHBondContact O-N 3.21Å; D285-Q289 WeakPolarHBondContact O-CG 3.32Å; D285-Q289 PolarHBondContact O-N 3.28Å
286	P	98.3	Very high	97.1	Very high	40 Å²	40	46.4 Å²	46.4	26%	0.26	27%	0.268	S	S	.	.	H	α-helix	trans	-56.3	-43.8	169.1	-28.7	33.9	0	0	0	114	R282 Q283 K288 Q289 G290 F291	R282-P286 HydrophobicContact CB-CB 3.84Å; R282-P286 HydrophobicContact CB-CG 4.24Å; R282-P286 HydrophobicContact CG-CB 4.49Å; Q283-P286 HydrophobicContact CB-CG 4.32Å; Q283-P286 VanDerWaalsContact O-CD 3.31Å; Q283-P286 WeakPolarHBondContact O-CD 3.39Å; P286-K288 VanDerWaalsContact C-N 3.3Å; P286-K288 PolarHBondContact O-N 3.26Å; P286-Q289 PolarHBondContact O-N 3.28Å; P286-G290 CarbonylContact O-C 3.57Å; P286-G290 WeakPolarHBondContact O-CA 3.09Å; P286-G290 PolarHBondContact O-N 3.31Å; P286-F291 HydrophobicContact CB-CD1 4.22Å
287	Y	98.4	Very high	96.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.7	-33.2	177.5	-93.5	-75.1	0	0	0	112.6	F280 R282 Q283 W284 D285 F291 W311 G313 N314 F393 T395 G419	F280-Y287 WeakPolarHBondContact O-CE2 3.3Å; F280-Y287 PolarHBondContact O-OH 3.33Å; R282-Y287 HydrophobicContact CB-CD2 4.16Å; R282-Y287 HydrophobicContact CB-CE2 4.06Å; Q283-Y287 PolarHBondContact O-N 3.43Å; W284-Y287 PolarHBondContact O-N 3.29Å; W284-Y287 VanDerWaalsContact O-N 3.09Å; D285-Y287 PolarHBondContact O-N 3.14Å; Y287-F291 AromaticContact CD1-CE1 3.76Å; Y287-F291 HydrophobicContact CD1-CE1 3.76Å; Y287-F291 HydrophobicContact CD1-CZ 4.38Å; Y287-F291 HydrophobicContact CD2-CE1 4.06Å; Y287-F291 AromaticContact CE1-CE1 3.69Å; Y287-F291 HydrophobicContact CE1-CE1 3.69Å; Y287-F291 AromaticContact CE1-CZ 3.84Å; Y287-F291 HydrophobicContact CE1-CZ 3.84Å; Y287-F291 HydrophobicContact CE2-CE1 4Å; Y287-F291 HydrophobicContact CE2-CZ 4.2Å; Y287-F291 AromaticContact CG-CE1 3.95Å; Y287-F291 HydrophobicContact CG-CE1 3.95Å; Y287-F291 AromaticContact CZ-CE1 3.82Å; Y287-F291 AromaticContact CZ-CZ 3.75Å; Y287-W311 AromaticContact CD1-CD1 3.62Å; Y287-W311 HydrophobicContact CD1-CD2 4.14Å; Y287-W311 AromaticContact CD1-CE2 3.95Å; Y287-W311 AromaticContact CD1-CG 3.96Å; Y287-W311 HydrophobicContact CD1-CG 3.96Å; Y287-W311 AromaticContact CD1-NE1 3.61Å; Y287-W311 HydrophobicContact CE1-CD2 4.13Å; Y287-W311 HydrophobicContact CE1-CG 4.08Å; Y287-W311 PolarHBondContact O-NE1 3.37Å; Y287-W311 VanDerWaalsContact O-NE1 3.15Å; Y287-G313 CarbonylContact O-C 3.56Å; Y287-G313 WeakPolarHBondContact O-CA 3.39Å; Y287-N314 VanDerWaalsContact O-CG 3.26Å; Y287-N314 PolarHBondContact O-N 3.27Å; Y287-N314 PolarHBondContact O-OD1 2.95Å; Y287-F393 AromaticContact CD1-CE1 3.81Å; Y287-F393 HydrophobicContact CD1-CE1 3.81Å; Y287-F393 AromaticContact CD1-CZ 3.44Å; Y287-F393 HydrophobicContact CD1-CZ 3.44Å; Y287-F393 VanDerWaalsContact CD1-CZ 3.44Å; Y287-F393 HydrophobicContact CD2-CE1 4.41Å; Y287-F393 HydrophobicContact CE1-CE1 4.49Å; Y287-F393 AromaticContact CE1-CZ 3.87Å; Y287-F393 HydrophobicContact CE1-CZ 3.87Å; Y287-F393 AromaticContact CG-CE1 3.75Å; Y287-F393 HydrophobicContact CG-CE1 3.75Å; Y287-F393 AromaticContact CG-CZ 3.9Å; Y287-F393 HydrophobicContact CG-CZ 3.9Å; Y287-T395 HydrophobicContact CD2-CG2 3.61Å; Y287-T395 HydrophobicContact CE2-CG2 4.31Å; Y287-T395 HydrophobicContact CG-CG2 4.11Å; Y287-G419 VanDerWaalsContact CE2-N 3.33Å; Y287-G419 VanDerWaalsContact CZ-CA 3.48Å; Y287-G419 PolarHBondContact OH-N 2.93Å
288	K	97.9	Very high	95.7	Very high	50 Å²	50	46.3 Å²	46.3	22%	0.217	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-49.6	173.1	166	170.4	-179.4	-174.2	0	112.5	W284 D285 P286 G313 N314 D315 E352 Y356	W284-K288 PolarHBondContact O-N 3.47Å; D285-K288 WeakPolarHBondContact O-CB 3.47Å; D285-K288 PolarHBondContact O-N 3.21Å; P286-K288 VanDerWaalsContact C-N 3.3Å; P286-K288 PolarHBondContact O-N 3.26Å; K288-G313 CarbonylContact O-C 3.59Å; K288-G313 WeakPolarHBondContact O-CA 3.46Å; K288-N314 PolarHBondContact O-N 3.43Å; K288-N314 VanDerWaalsContact O-N 3.11Å; K288-D315 WeakPolarHBondContact CE-OD2 3.09Å; K288-D315 WeakPolarHBondContact CG-OD2 3.41Å; K288-D315 PolarHBondContact O-N 3.46Å; K288-E352 WeakPolarHBondContact CE-OE2 3.38Å; K288-E352 IonicContact NZ-OE1 3.58Å; K288-E352 IonicContact NZ-OE2 2.75Å; K288-E352 PolarHBondContact NZ-OE2 2.86Å; K288-Y356 HydrophobicContact CB-CE2 4.46Å; K288-Y356 WeakPolarHBondContact CD-OH 3.47Å; K288-Y356 VanDerWaalsContact CG-OH 3.22Å; K288-Y356 WeakPolarHBondContact CG-OH 3.47Å
289	Q	97.4	Very high	94.4	Very high	132 Å²	132	53.5 Å²	53.5	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-80.2	-30.6	-175.5	-63.9	178.9	22.3	0	0	113.6	D285 P286 K316	D285-Q289 WeakPolarHBondContact O-CG 3.32Å; D285-Q289 PolarHBondContact O-N 3.28Å; P286-Q289 PolarHBondContact O-N 3.28Å; Q289-K316 PolarHBondContact O-NZ 3.28Å
290	G	97.8	Very high	93	Very high	23 Å²	23	53.2 Å²	53.2	24%	0.237	31%	0.312	C	S	.	.			trans	97.3	153.7	-170.2	0	0	0	0	0	112.7	P286 W311 L312 G313	P286-G290 CarbonylContact O-C 3.57Å; P286-G290 WeakPolarHBondContact O-CA 3.09Å; P286-G290 PolarHBondContact O-N 3.31Å; G290-W311 CarbonylContact C-O 3.52Å; G290-W311 WeakPolarHBondContact CA-O 3.48Å; G290-L312 WeakPolarHBondContact CA-O 3.42Å; G290-G313 VanDerWaalsContact CA-CA 3.49Å
291	F	98.4	Very high	92.2	Very high	18 Å²	18	57.1 Å²	57.1	8%	0.079	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	166.7	-178.6	61.5	-95	0	0	0	111.3	V278 F280 R282 P286 Y287 Y310 W311	V278-F291 HydrophobicContact CG1-CD2 3.88Å; V278-F291 HydrophobicContact CG1-CE2 4.13Å; F280-F291 HydrophobicContact CB-CE2 4.47Å; F280-F291 HydrophobicContact CB-CZ 4.41Å; F280-F291 HydrophobicContact CD1-CE2 4.09Å; F280-F291 AromaticContact CD1-CZ 3.93Å; F280-F291 HydrophobicContact CD1-CZ 3.93Å; F280-F291 AromaticContact CD2-CE2 3.74Å; F280-F291 HydrophobicContact CD2-CE2 3.74Å; F280-F291 HydrophobicContact CD2-CZ 4.35Å; F280-F291 HydrophobicContact CE1-CE2 4.24Å; F280-F291 HydrophobicContact CE1-CZ 4.25Å; F280-F291 AromaticContact CE2-CE2 3.86Å; F280-F291 HydrophobicContact CE2-CE2 3.86Å; F280-F291 AromaticContact CG-CE2 3.85Å; F280-F291 HydrophobicContact CG-CE2 3.85Å; F280-F291 AromaticContact CG-CZ 3.99Å; F280-F291 HydrophobicContact CG-CZ 3.99Å; F280-F291 HydrophobicContact CZ-CE2 4.13Å; R282-F291 HydrophobicContact CB-CE1 4.42Å; R282-F291 HydrophobicContact CG-CE1 4.42Å; R282-F291 HydrophobicContact CG-CZ 4.39Å; R282-F291 VanDerWaalsContact NE-CD2 3.3Å; P286-F291 HydrophobicContact CB-CD1 4.22Å; Y287-F291 AromaticContact CD1-CE1 3.76Å; Y287-F291 HydrophobicContact CD1-CE1 3.76Å; Y287-F291 HydrophobicContact CD1-CZ 4.38Å; Y287-F291 HydrophobicContact CD2-CE1 4.06Å; Y287-F291 AromaticContact CE1-CE1 3.69Å; Y287-F291 HydrophobicContact CE1-CE1 3.69Å; Y287-F291 AromaticContact CE1-CZ 3.84Å; Y287-F291 HydrophobicContact CE1-CZ 3.84Å; Y287-F291 HydrophobicContact CE2-CE1 4Å; Y287-F291 HydrophobicContact CE2-CZ 4.2Å; Y287-F291 AromaticContact CG-CE1 3.95Å; Y287-F291 HydrophobicContact CG-CE1 3.95Å; Y287-F291 AromaticContact CZ-CE1 3.82Å; Y287-F291 AromaticContact CZ-CZ 3.75Å; F291-Y310 CarbonylContact O-C 3.58Å; F291-Y310 VanDerWaalsContact O-CA 3.27Å; F291-Y310 WeakPolarHBondContact O-CA 3.26Å; F291-Y310 VanDerWaalsContact O-CB 3.25Å; F291-Y310 WeakPolarHBondContact O-CB 3.41Å; F291-W311 HydrophobicContact CD1-CB 4.06Å; F291-W311 HydrophobicContact CE1-CB 3.66Å; F291-W311 HydrophobicContact CE1-CG 4.13Å; F291-W311 HydrophobicContact CE2-CB 4.16Å; F291-W311 HydrophobicContact CG-CB 4.49Å; F291-W311 HydrophobicContact CZ-CB 3.72Å; F291-W311 HydrophobicContact CZ-CG 4.47Å; F291-W311 PolarHBondContact N-O 3.46Å; F291-W311 PolarHBondContact O-N 3.03Å
292	G	97.2	Very high	91.6	Very high	33 Å²	33	64.1 Å²	64.1	34%	0.34	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94.5	-173.6	179.7	0	0	0	0	0	113.2	E309	G292-E309 CarbonylContact C-O 3.55Å; G292-E309 WeakPolarHBondContact CA-O 3.38Å
293	N	96.4	Very high	91.1	Very high	68 Å²	68	63.9 Å²	63.9	36%	0.364	35%	0.352	S	S	.	.			trans	-104.9	115	-175.6	-62.6	-51.9	0	0	0	109	G308 E309	N293-G308 CarbonylContact O-C 3.54Å; N293-G308 WeakPolarHBondContact O-CA 3.3Å; N293-E309 PolarHBondContact N-O 2.93Å; N293-E309 PolarHBondContact O-N 3.37Å
294	I	95.9	Very high	90.8	Very high	43 Å²	43	59.5 Å²	59.5	22%	0.221	33%	0.332	C	S	.	.	S	Bend	trans	-65	-44.8	-176	-67.1	159.2	0	0	0	111.1	M242 R255 G308 Y310	M242-I294 HydrophobicContact CG-CG2 4.24Å; R255-I294 HydrophobicContact CB-CD1 3.65Å; R255-I294 VanDerWaalsContact O-CD1 3.28Å; R255-I294 WeakPolarHBondContact O-CD1 3.04Å; I294-G308 PolarHBondContact O-N 3.18Å; I294-G308 VanDerWaalsContact O-N 3.11Å; I294-Y310 HydrophobicContact CG1-CD2 4.08Å; I294-Y310 HydrophobicContact CG1-CE2 4.24Å; I294-Y310 HydrophobicContact CG1-CG 4.27Å; I294-Y310 HydrophobicContact CG2-CE1 4.4Å
295	A	94.9	Very high	90.5	Very high	5 Å²	5	59.9 Å²	59.9	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	156.6	-178.5	0	0	0	0	0	110.9	M242 Y257 C304 L306	M242-A295 HydrophobicContact CB-CB 3.71Å; M242-A295 HydrophobicContact CG-CB 4.27Å; Y257-A295 HydrophobicContact CD2-CB 4.07Å; A295-C304 HydrophobicContact CB-CB 3.65Å; A295-L306 CarbonylContact C-O 3.55Å; A295-L306 WeakPolarHBondContact CA-O 3.31Å; A295-L306 WeakPolarHBondContact CB-O 3.49Å
296	T	92.1	Very high	90.2	Very high	46 Å²	46	59.3 Å²	59.3	28%	0.282	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	159.2	176.6	54.2	0	0	0	0	110.5	C304 L306	T296-C304 CarbonylContact O-C 3.55Å; T296-C304 VanDerWaalsContact O-CA 3.26Å; T296-C304 WeakPolarHBondContact O-CA 3.29Å; T296-C304 WeakPolarHBondContact O-CB 3.16Å; T296-L306 PolarHBondContact N-O 3.16Å; T296-L306 PolarHBondContact O-N 3.38Å
297	N	86.5	Confident	90.1	Very high	53 Å²	53	58.9 Å²	58.9	28%	0.283	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-72.1	138	176.1	-71.4	68.7	0	0	0	109.8	S218 C304	S218-N297 PolarHBondContact N-OD1 3.26Å; S218-N297 PolarHBondContact O-ND2 3.06Å; N297-C304 PolarHBondContact OD1-SG 2.9Å
298	D	74.7	Confident	90	Very high	54 Å²	54	59 Å²	59	29%	0.289	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-84.7	143.5	163.9	-169.5	12.5	0	0	0	108.3	G300 K301 L306	D298-G300 PolarHBondContact O-N 3.04Å; D298-G300 VanDerWaalsContact O-N 3.11Å; D298-K301 HydrophobicContact CB-CB 4.31Å; D298-K301 HydrophobicContact CB-CD 3.98Å; D298-K301 HydrophobicContact CB-CG 4.24Å; D298-K301 PolarHBondContact O-N 2.91Å; D298-K301 VanDerWaalsContact OD2-CE 3.29Å; D298-K301 WeakPolarHBondContact OD2-CE 3.19Å; D298-K301 IonicContact OD2-NZ 2.75Å; D298-K301 PolarHBondContact OD2-NZ 3.25Å; D298-L306 HydrophobicContact CB-CD1 4.17Å; D298-L306 HydrophobicContact CB-CG 4.31Å
299	D	70.1	Confident	90	Very high	162 Å²	162	56.6 Å²	56.6	87%	0.866	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	120.1	-173.3	-80.5	-30.2	0	0	0	110.5
300	G	69.8	Low	90	Very high	91 Å²	91	50.4 Å²	50.4	94%	0.938	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-1.6	-179.9	0	0	0	0	0	116.1	D298	D298-G300 PolarHBondContact O-N 3.04Å; D298-G300 VanDerWaalsContact O-N 3.11Å
301	K	80.7	Confident	90.1	Very high	85 Å²	85	49.4 Å²	49.4	37%	0.37	28%	0.282	S	S	.	.			trans	-96.9	140	175.7	-61.9	-170.7	-176.4	151.4	0	112.5	D298 Y303	D298-K301 HydrophobicContact CB-CB 4.31Å; D298-K301 HydrophobicContact CB-CD 3.98Å; D298-K301 HydrophobicContact CB-CG 4.24Å; D298-K301 PolarHBondContact O-N 2.91Å; D298-K301 VanDerWaalsContact OD2-CE 3.29Å; D298-K301 WeakPolarHBondContact OD2-CE 3.19Å; D298-K301 IonicContact OD2-NZ 2.75Å; D298-K301 PolarHBondContact OD2-NZ 3.25Å; K301-Y303 HydrophobicContact CB-CD1 4.29Å; K301-Y303 HydrophobicContact CB-CE1 4.2Å; K301-Y303 HydrophobicContact CD-CE1 3.91Å; K301-Y303 HydrophobicContact CD-CE2 4.15Å; K301-Y303 WeakPolarHBondContact CD-OH 3.16Å; K301-Y303 HydrophobicContact CG-CE1 4.4Å; K301-Y303 PolarHBondContact O-N 3.25Å
302	K	84.9	Confident	90.1	Very high	171 Å²	171	48.8 Å²	48.8	74%	0.743	28%	0.279	S	S	*	.	S	Bend	trans	-79.4	-0	177	-71.8	-173.8	178.7	179.6	0	113.8	N220	N220-K302 WeakPolarHBondContact CB-O 3.3Å; N220-K302 PolarHBondContact ND2-O 2.76Å
303	Y	86.6	Confident	90.1	Very high	81 Å²	81	47.2 Å²	47.2	32%	0.318	26%	0.263	S	S	.	.	S	Bend	trans	-129	162.9	-179.7	64.6	-92.4	0	0	0	110	E241 K301	E241-Y303 HydrophobicContact CB-CD2 4.26Å; E241-Y303 WeakPolarHBondContact OE2-CD2 3.35Å; K301-Y303 HydrophobicContact CB-CD1 4.29Å; K301-Y303 HydrophobicContact CB-CE1 4.2Å; K301-Y303 HydrophobicContact CD-CE1 3.91Å; K301-Y303 HydrophobicContact CD-CE2 4.15Å; K301-Y303 WeakPolarHBondContact CD-OH 3.16Å; K301-Y303 HydrophobicContact CG-CE1 4.4Å; K301-Y303 PolarHBondContact O-N 3.25Å
304	C	92.4	Very high	90.2	Very high	1 Å²	1	44 Å²	44	1%	0.007	25%	0.246	C	C	.	.			trans	-100.1	91.5	-176.5	-67.4	0	0	0	0	110.5	C219 E241 M242 A295 T296 N297	C219-C304 WeakPolarHBondContact CA-SG 3.28Å; C219-C304 HydrophobicContact CB-CB 3.74Å; C219-C304 WeakPolarHBondContact CB-SG 3.45Å; C219-C304 WeakPolarHBondContact SG-CB 3.34Å; C219-C304 CovalentContact SG-SG 2.02Å; C219-C304 PolarHBondContact SG-SG 3.05Å; E241-C304 WeakPolarHBondContact CB-O 3.36Å; M242-C304 HydrophobicContact CB-CB 4.31Å; M242-C304 PolarHBondContact N-O 2.88Å; A295-C304 HydrophobicContact CB-CB 3.65Å; T296-C304 CarbonylContact O-C 3.55Å; T296-C304 VanDerWaalsContact O-CA 3.26Å; T296-C304 WeakPolarHBondContact O-CA 3.29Å; T296-C304 WeakPolarHBondContact O-CB 3.16Å; N297-C304 PolarHBondContact OD1-SG 2.9Å
305	G	91.3	Very high	90.2	Very high	13 Å²	13	45 Å²	45	13%	0.134	25%	0.252	C	S	.	.			trans	-91.4	-9.8	-177.7	0	0	0	0	0	114.9	Y257	Y257-G305 WeakPolarHBondContact CE2-O 3.23Å; Y257-G305 PolarHBondContact OH-O 3.23Å
306	L	93.1	Very high	90.3	Very high	76 Å²	76	47.6 Å²	47.6	40%	0.398	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135	-178.9	-64	174.4	0	0	0	110.4	A295 T296 D298	A295-L306 CarbonylContact C-O 3.55Å; A295-L306 WeakPolarHBondContact CA-O 3.31Å; A295-L306 WeakPolarHBondContact CB-O 3.49Å; T296-L306 PolarHBondContact N-O 3.16Å; T296-L306 PolarHBondContact O-N 3.38Å; D298-L306 HydrophobicContact CB-CD1 4.17Å; D298-L306 HydrophobicContact CB-CG 4.31Å
307	P	95.3	Very high	90.5	Very high	31 Å²	31	45.5 Å²	45.5	20%	0.201	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	142.3	174.4	31.3	-32.8	0	0	0	109.8	Y257 Q274	Y257-P307 HydrophobicContact CD1-CB 4.05Å; Y257-P307 HydrophobicContact CD2-CB 3.95Å; Y257-P307 HydrophobicContact CE1-CB 4.07Å; Y257-P307 HydrophobicContact CE1-CG 4.3Å; Y257-P307 HydrophobicContact CE2-CB 3.98Å; Y257-P307 HydrophobicContact CE2-CG 4.43Å; Y257-P307 HydrophobicContact CG-CB 3.98Å; Q274-P307 PolarHBondContact NE2-O 3.33Å; Q274-P307 VanDerWaalsContact NE2-O 3.1Å; Q274-P307 PolarHBondContact OE1-O 3.4Å
308	G	96	Very high	91	Very high	3 Å²	3	43 Å²	43	3%	0.031	24%	0.235	C	C	.	.			trans	-98.4	-176.6	168.3	0	0	0	0	0	111.6	N272 N293 I294 Y310	N272-G308 WeakPolarHBondContact CB-O 3.42Å; N272-G308 PolarHBondContact ND2-O 3.44Å; N293-G308 CarbonylContact O-C 3.54Å; N293-G308 WeakPolarHBondContact O-CA 3.3Å; I294-G308 PolarHBondContact O-N 3.18Å; I294-G308 VanDerWaalsContact O-N 3.11Å; G308-Y310 WeakPolarHBondContact O-CD1 3.23Å
309	E	98.2	Very high	91.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-85.1	123.7	170.6	-61.4	-164.7	141.3	0	0	110.8	N272 R273 Q274 D275 G276 S277 V278 F280 G292 N293	N272-E309 VanDerWaalsContact O-CA 3.3Å; N272-E309 WeakPolarHBondContact O-CA 3.02Å; R273-E309 WeakPolarHBondContact CA-OE1 3.46Å; R273-E309 IonicContact CZ-OE1 2.75Å; R273-E309 IonicContact CZ-OE2 3.85Å; R273-E309 IonicContact NH1-OE1 2.82Å; R273-E309 PolarHBondContact NH1-OE1 2.86Å; R273-E309 IonicContact NH1-OE2 3.21Å; R273-E309 PolarHBondContact NH1-OE2 2.81Å; Q274-E309 HydrophobicContact CG-CG 4.03Å; Q274-E309 PolarHBondContact N-OE1 2.97Å; D275-E309 PolarHBondContact N-OE1 3.09Å; D275-E309 VanDerWaalsContact OD1-CG 3.27Å; D275-E309 WeakPolarHBondContact OD1-CG 3.45Å; G276-E309 VanDerWaalsContact C-OE2 3.31Å; G276-E309 WeakPolarHBondContact CA-OE2 3.33Å; G276-E309 VanDerWaalsContact N-CD 3.28Å; G276-E309 PolarHBondContact N-OE1 3.32Å; G276-E309 PolarHBondContact N-OE2 3.48Å; S277-E309 PolarHBondContact N-OE2 3.4Å; S277-E309 PolarHBondContact OG-OE2 2.92Å; V278-E309 HydrophobicContact CB-CB 3.91Å; V278-E309 HydrophobicContact CG2-CB 3.94Å; V278-E309 WeakPolarHBondContact CG2-O 3.34Å; V278-E309 PolarHBondContact N-OE2 2.51Å; F280-E309 HydrophobicContact CE2-CB 4.46Å; G292-E309 CarbonylContact C-O 3.55Å; G292-E309 WeakPolarHBondContact CA-O 3.38Å; N293-E309 PolarHBondContact N-O 2.93Å; N293-E309 PolarHBondContact O-N 3.37Å
310	Y	98.4	Very high	93.1	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	163	179.6	72.6	-80.5	0	0	0	113	Y257 V269 Q271 N272 F291 I294 G308 L312	Y257-Y310 WeakPolarHBondContact CB-OH 3.31Å; Y257-Y310 PolarHBondContact N-OH 3.21Å; V269-Y310 WeakPolarHBondContact CB-OH 3.37Å; V269-Y310 HydrophobicContact CG1-CE1 4.15Å; V269-Y310 WeakPolarHBondContact CG1-OH 3.34Å; V269-Y310 PolarHBondContact O-OH 3.1Å; Q271-Y310 WeakPolarHBondContact CA-O 3.31Å; N272-Y310 HydrophobicContact CB-CD1 4.42Å; N272-Y310 HydrophobicContact CB-CE1 4.37Å; N272-Y310 PolarHBondContact N-O 2.75Å; N272-Y310 VanDerWaalsContact N-O 3.12Å; N272-Y310 PolarHBondContact O-N 3.06Å; F291-Y310 CarbonylContact O-C 3.58Å; F291-Y310 VanDerWaalsContact O-CA 3.27Å; F291-Y310 WeakPolarHBondContact O-CA 3.26Å; F291-Y310 VanDerWaalsContact O-CB 3.25Å; F291-Y310 WeakPolarHBondContact O-CB 3.41Å; I294-Y310 HydrophobicContact CG1-CD2 4.08Å; I294-Y310 HydrophobicContact CG1-CE2 4.24Å; I294-Y310 HydrophobicContact CG1-CG 4.27Å; I294-Y310 HydrophobicContact CG2-CE1 4.4Å; G308-Y310 WeakPolarHBondContact O-CD1 3.23Å; Y310-L312 HydrophobicContact CE2-CB 4.21Å; Y310-L312 HydrophobicContact CE2-CD1 4.36Å
311	W	98.6	Very high	94.3	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.9	164.4	-179.5	-102.4	0	0	0	108.1	Q271 F280 Y287 G290 F291 G313 N314 I317 F393 W420 W421 M470	Q271-W311 HydrophobicContact CB-CE3 3.72Å; Q271-W311 HydrophobicContact CB-CZ3 3.77Å; Q271-W311 HydrophobicContact CG-CE3 3.5Å; Q271-W311 VanDerWaalsContact CG-CE3 3.5Å; Q271-W311 HydrophobicContact CG-CZ3 3.73Å; F280-W311 HydrophobicContact CE1-CB 4.4Å; Y287-W311 AromaticContact CD1-CD1 3.62Å; Y287-W311 HydrophobicContact CD1-CD2 4.14Å; Y287-W311 AromaticContact CD1-CE2 3.95Å; Y287-W311 AromaticContact CD1-CG 3.96Å; Y287-W311 HydrophobicContact CD1-CG 3.96Å; Y287-W311 AromaticContact CD1-NE1 3.61Å; Y287-W311 HydrophobicContact CE1-CD2 4.13Å; Y287-W311 HydrophobicContact CE1-CG 4.08Å; Y287-W311 PolarHBondContact O-NE1 3.37Å; Y287-W311 VanDerWaalsContact O-NE1 3.15Å; G290-W311 CarbonylContact C-O 3.52Å; G290-W311 WeakPolarHBondContact CA-O 3.48Å; F291-W311 HydrophobicContact CD1-CB 4.06Å; F291-W311 HydrophobicContact CE1-CB 3.66Å; F291-W311 HydrophobicContact CE1-CG 4.13Å; F291-W311 HydrophobicContact CE2-CB 4.16Å; F291-W311 HydrophobicContact CG-CB 4.49Å; F291-W311 HydrophobicContact CZ-CB 3.72Å; F291-W311 HydrophobicContact CZ-CG 4.47Å; F291-W311 PolarHBondContact N-O 3.46Å; F291-W311 PolarHBondContact O-N 3.03Å; W311-G313 VanDerWaalsContact C-N 3.28Å; W311-G313 PolarHBondContact O-N 2.77Å; W311-N314 VanDerWaalsContact CE2-OD1 3.23Å; W311-N314 WeakPolarHBondContact CZ2-OD1 3.34Å; W311-N314 PolarHBondContact NE1-OD1 2.91Å; W311-I317 HydrophobicContact CD2-CD1 4.44Å; W311-I317 HydrophobicContact CH2-CD1 4.07Å; W311-I317 HydrophobicContact CZ2-CD1 3.56Å; W311-F393 HydrophobicContact CH2-CE2 4.45Å; W311-F393 HydrophobicContact CZ2-CE2 4.1Å; W311-F393 HydrophobicContact CZ2-CZ 4.36Å; W311-W420 HydrophobicContact CH2-CZ3 4.43Å; W311-W420 HydrophobicContact CZ3-CZ3 4.41Å; W311-W421 HydrophobicContact CH2-CH2 4.11Å; W311-M470 HydrophobicContact CZ3-SD 4.43Å
312	L	98.2	Very high	94.8	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	15%	0.152	C	C	.	.			trans	-62.6	-36.6	-171.7	-177.6	60.9	0	0	0	112.9	Y254 V256 I270 G290 Y310 K316 I317 L320	Y254-L312 HydrophobicContact CD2-CD1 4.22Å; Y254-L312 HydrophobicContact CE2-CD1 4.13Å; Y254-L312 HydrophobicContact CE2-CD2 4.33Å; V256-L312 HydrophobicContact CG1-CD1 3.77Å; V256-L312 HydrophobicContact CG1-CD2 4.26Å; I270-L312 HydrophobicContact CB-CB 4.37Å; I270-L312 HydrophobicContact CB-CD2 4.47Å; I270-L312 HydrophobicContact CG2-CD2 3.88Å; I270-L312 WeakPolarHBondContact O-CB 3.05Å; I270-L312 PolarHBondContact O-N 3.44Å; G290-L312 WeakPolarHBondContact CA-O 3.42Å; Y310-L312 HydrophobicContact CE2-CB 4.21Å; Y310-L312 HydrophobicContact CE2-CD1 4.36Å; L312-K316 HydrophobicContact CD1-CD 4.13Å; L312-K316 HydrophobicContact CD2-CB 4.32Å; L312-K316 HydrophobicContact CG-CB 4.12Å; L312-K316 HydrophobicContact CG-CD 4.11Å; L312-K316 WeakPolarHBondContact O-CD 3.45Å; L312-K316 PolarHBondContact O-NZ 2.89Å; L312-K316 VanDerWaalsContact O-NZ 3.17Å; L312-I317 HydrophobicContact CB-CD1 4.4Å; L312-I317 HydrophobicContact CB-CG1 4.21Å; L312-I317 HydrophobicContact CD2-CG1 4.34Å; L312-L320 HydrophobicContact CD2-CD1 3.74Å
313	G	98	Very high	94.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.			trans	120	132.3	-177.3	0	0	0	0	0	112.2	Y287 K288 G290 W311 D315 K316 I317	Y287-G313 CarbonylContact O-C 3.56Å; Y287-G313 WeakPolarHBondContact O-CA 3.39Å; K288-G313 CarbonylContact O-C 3.59Å; K288-G313 WeakPolarHBondContact O-CA 3.46Å; G290-G313 VanDerWaalsContact CA-CA 3.49Å; W311-G313 VanDerWaalsContact C-N 3.28Å; W311-G313 PolarHBondContact O-N 2.77Å; G313-D315 VanDerWaalsContact C-N 3.33Å; G313-D315 PolarHBondContact O-N 3.43Å; G313-K316 PolarHBondContact O-N 3.45Å; G313-K316 VanDerWaalsContact O-N 3.14Å; G313-I317 VanDerWaalsContact O-CG1 3.32Å; G313-I317 WeakPolarHBondContact O-CG1 3.36Å; G313-I317 PolarHBondContact O-N 3.04Å
314	N	98.2	Very high	95.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-62.3	-37	-172.3	-63.2	-12	0	0	0	113.1	Y287 K288 W311 K316 I317 S318 Y356 F393	Y287-N314 VanDerWaalsContact O-CG 3.26Å; Y287-N314 PolarHBondContact O-N 3.27Å; Y287-N314 PolarHBondContact O-OD1 2.95Å; K288-N314 PolarHBondContact O-N 3.43Å; K288-N314 VanDerWaalsContact O-N 3.11Å; W311-N314 VanDerWaalsContact CE2-OD1 3.23Å; W311-N314 WeakPolarHBondContact CZ2-OD1 3.34Å; W311-N314 PolarHBondContact NE1-OD1 2.91Å; N314-K316 VanDerWaalsContact C-N 3.34Å; N314-K316 PolarHBondContact O-N 3.47Å; N314-I317 PolarHBondContact O-N 2.88Å; N314-S318 WeakPolarHBondContact O-CB 3.13Å; N314-S318 PolarHBondContact O-N 3.14Å; N314-Y356 HydrophobicContact CB-CD1 3.52Å; N314-Y356 HydrophobicContact CB-CD2 3.58Å; N314-Y356 HydrophobicContact CB-CE1 3.51Å; N314-Y356 HydrophobicContact CB-CE2 3.54Å; N314-Y356 HydrophobicContact CB-CG 3.57Å; N314-Y356 VanDerWaalsContact ND2-CD2 3.33Å; N314-Y356 WeakPolarHBondContact ND2-CD2 3.2Å; N314-F393 WeakPolarHBondContact ND2-CD1 3.42Å; N314-F393 WeakPolarHBondContact ND2-CE1 3.34Å
315	D	96.4	Very high	95.2	Very high	64 Å²	64	30.3 Å²	30.3	34%	0.342	16%	0.164	S	C	.	.	H	α-helix	trans	-63.4	-41.7	176.8	-79.1	-19.2	0	0	0	111.6	K288 G313 Q319 Y356	K288-D315 WeakPolarHBondContact CE-OD2 3.09Å; K288-D315 WeakPolarHBondContact CG-OD2 3.41Å; K288-D315 PolarHBondContact O-N 3.46Å; G313-D315 VanDerWaalsContact C-N 3.33Å; G313-D315 PolarHBondContact O-N 3.43Å; D315-Q319 WeakPolarHBondContact O-CB 3.19Å; D315-Q319 PolarHBondContact O-N 2.93Å; D315-Y356 VanDerWaalsContact CG-OH 3.28Å; D315-Y356 VanDerWaalsContact OD1-CE1 3.22Å; D315-Y356 WeakPolarHBondContact OD1-CE1 3.41Å; D315-Y356 VanDerWaalsContact OD1-CZ 3.3Å; D315-Y356 PolarHBondContact OD1-OH 3.03Å
316	K	96.4	Very high	95.5	Very high	60 Å²	60	30.1 Å²	30.1	26%	0.261	16%	0.16	S	C	.	.	H	α-helix	trans	-69.1	-43.5	178.7	-64.8	171.9	-171	146.6	0	111.3	Y254 Q289 L312 G313 N314 S318 Q319 L320	Y254-K316 HydrophobicContact CD1-CD 4.29Å; Y254-K316 HydrophobicContact CD1-CG 4.42Å; Y254-K316 HydrophobicContact CD2-CD 3.91Å; Y254-K316 HydrophobicContact CE1-CD 4.35Å; Y254-K316 HydrophobicContact CE1-CG 4.11Å; Y254-K316 HydrophobicContact CE2-CB 4.35Å; Y254-K316 HydrophobicContact CE2-CD 3.98Å; Y254-K316 HydrophobicContact CE2-CG 4.35Å; Y254-K316 HydrophobicContact CG-CD 4.07Å; Q289-K316 PolarHBondContact O-NZ 3.28Å; L312-K316 HydrophobicContact CD1-CD 4.13Å; L312-K316 HydrophobicContact CD2-CB 4.32Å; L312-K316 HydrophobicContact CG-CB 4.12Å; L312-K316 HydrophobicContact CG-CD 4.11Å; L312-K316 WeakPolarHBondContact O-CD 3.45Å; L312-K316 PolarHBondContact O-NZ 2.89Å; L312-K316 VanDerWaalsContact O-NZ 3.17Å; G313-K316 PolarHBondContact O-N 3.45Å; G313-K316 VanDerWaalsContact O-N 3.14Å; N314-K316 VanDerWaalsContact C-N 3.34Å; N314-K316 PolarHBondContact O-N 3.47Å; K316-S318 VanDerWaalsContact C-N 3.35Å; K316-Q319 PolarHBondContact O-N 3.25Å; K316-L320 WeakPolarHBondContact O-CB 2.97Å; K316-L320 VanDerWaalsContact O-CG 3.31Å; K316-L320 WeakPolarHBondContact O-CG 3.01Å; K316-L320 PolarHBondContact O-N 2.89Å
317	I	97.5	Very high	95.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-43.7	177.6	-62.9	165.5	0	0	0	110.3	I270 W311 L312 G313 N314 Q319 L320 T321 F347 V349	I270-I317 HydrophobicContact CB-CD1 4.12Å; I270-I317 HydrophobicContact CB-CG1 4.03Å; I270-I317 HydrophobicContact CD1-CD1 4.37Å; I270-I317 HydrophobicContact CD1-CG1 4.49Å; I270-I317 HydrophobicContact CD1-CG2 4.12Å; I270-I317 HydrophobicContact CG2-CG1 4.11Å; W311-I317 HydrophobicContact CD2-CD1 4.44Å; W311-I317 HydrophobicContact CH2-CD1 4.07Å; W311-I317 HydrophobicContact CZ2-CD1 3.56Å; L312-I317 HydrophobicContact CB-CD1 4.4Å; L312-I317 HydrophobicContact CB-CG1 4.21Å; L312-I317 HydrophobicContact CD2-CG1 4.34Å; G313-I317 VanDerWaalsContact O-CG1 3.32Å; G313-I317 WeakPolarHBondContact O-CG1 3.36Å; G313-I317 PolarHBondContact O-N 3.04Å; N314-I317 PolarHBondContact O-N 2.88Å; I317-Q319 VanDerWaalsContact C-N 3.32Å; I317-Q319 PolarHBondContact O-N 3.01Å; I317-L320 PolarHBondContact O-N 3.03Å; I317-T321 HydrophobicContact CG2-CG2 4.47Å; I317-T321 WeakPolarHBondContact O-CG2 3.44Å; I317-T321 PolarHBondContact O-N 3.39Å; I317-T321 PolarHBondContact O-OG1 3.07Å; I317-F347 HydrophobicContact CG2-CE1 4.08Å; I317-F347 HydrophobicContact CG2-CZ 4.24Å; I317-V349 HydrophobicContact CG2-CB 4.32Å; I317-V349 HydrophobicContact CG2-CG2 3.91Å
318	S	96.6	Very high	95.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.3	-38.8	176.9	-176	0	0	0	0	112.4	N314 K316 T321 R322 V349 Q350	N314-S318 WeakPolarHBondContact O-CB 3.13Å; N314-S318 PolarHBondContact O-N 3.14Å; K316-S318 VanDerWaalsContact C-N 3.35Å; S318-T321 PolarHBondContact O-OG1 3.33Å; S318-R322 VanDerWaalsContact O-CG 3.3Å; S318-R322 WeakPolarHBondContact O-CG 3.27Å; S318-R322 PolarHBondContact O-N 3.4Å; S318-R322 PolarHBondContact O-NE 2.86Å; S318-R322 PolarHBondContact OG-NE 2.87Å; S318-R322 PolarHBondContact OG-NH2 3.4Å; S318-V349 WeakPolarHBondContact CA-O 3.15Å; S318-V349 VanDerWaalsContact CB-O 3.31Å; S318-V349 WeakPolarHBondContact CB-O 3.43Å; S318-V349 PolarHBondContact OG-O 3.18Å; S318-Q350 WeakPolarHBondContact CB-O 3.36Å; S318-Q350 PolarHBondContact OG-O 3.29Å
319	Q	94.1	Very high	95.8	Very high	30 Å²	30	25.5 Å²	25.5	14%	0.14	13%	0.133	C	C	.	.	H	α-helix	trans	-64.7	-49.2	174.3	-179.4	177	51.6	0	0	111.7	D248 D315 K316 I317 T321 R322 I323	D248-Q319 PolarHBondContact OD2-NE2 3.45Å; D315-Q319 WeakPolarHBondContact O-CB 3.19Å; D315-Q319 PolarHBondContact O-N 2.93Å; K316-Q319 PolarHBondContact O-N 3.25Å; I317-Q319 VanDerWaalsContact C-N 3.32Å; I317-Q319 PolarHBondContact O-N 3.01Å; Q319-T321 VanDerWaalsContact C-N 3.3Å; Q319-T321 PolarHBondContact O-N 2.88Å; Q319-R322 PolarHBondContact O-N 3.31Å; Q319-I323 PolarHBondContact O-N 2.88Å
320	L	95	Very high	95.9	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-56.5	-45.4	-179.5	-75.3	168.7	0	0	0	111.6	E228 I245 P247 Y254 T268 L312 K316 I317 R322 I323 I472	E228-L320 HydrophobicContact CB-CD2 4.11Å; I245-L320 HydrophobicContact CD1-CD2 4.05Å; P247-L320 HydrophobicContact CB-CD2 4.07Å; P247-L320 HydrophobicContact CG-CD2 3.67Å; P247-L320 HydrophobicContact CG-CG 4.42Å; Y254-L320 WeakPolarHBondContact OH-CG 3.39Å; T268-L320 HydrophobicContact CG2-CD1 4.27Å; L312-L320 HydrophobicContact CD2-CD1 3.74Å; K316-L320 WeakPolarHBondContact O-CB 2.97Å; K316-L320 VanDerWaalsContact O-CG 3.31Å; K316-L320 WeakPolarHBondContact O-CG 3.01Å; K316-L320 PolarHBondContact O-N 2.89Å; I317-L320 PolarHBondContact O-N 3.03Å; L320-R322 VanDerWaalsContact C-N 3.25Å; L320-R322 PolarHBondContact O-N 3.29Å; L320-I323 HydrophobicContact CD2-CD1 4.18Å; L320-I323 WeakPolarHBondContact O-CG1 3.35Å; L320-I323 PolarHBondContact O-N 2.91Å; L320-I472 HydrophobicContact CB-CD1 3.77Å; L320-I472 HydrophobicContact CD1-CD1 4.07Å
321	T	95.2	Very high	95.8	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-73	-13.5	-179.8	56.7	0	0	0	0	114.3	I317 S318 Q319 T326 F347 V349 I472	I317-T321 HydrophobicContact CG2-CG2 4.47Å; I317-T321 WeakPolarHBondContact O-CG2 3.44Å; I317-T321 PolarHBondContact O-N 3.39Å; I317-T321 PolarHBondContact O-OG1 3.07Å; S318-T321 PolarHBondContact O-OG1 3.33Å; Q319-T321 VanDerWaalsContact C-N 3.3Å; Q319-T321 PolarHBondContact O-N 2.88Å; T321-T326 HydrophobicContact CG2-CG2 4.14Å; T321-F347 HydrophobicContact CG2-CD1 3.49Å; T321-F347 VanDerWaalsContact CG2-CD1 3.49Å; T321-F347 HydrophobicContact CG2-CE1 3.56Å; T321-F347 HydrophobicContact CG2-CG 4.49Å; T321-V349 PolarHBondContact OG1-N 2.89Å; T321-I472 HydrophobicContact CG2-CD1 4.31Å
322	R	90.5	Very high	95.8	Very high	136 Å²	136	28.2 Å²	28.2	51%	0.513	15%	0.146	S	C	.	.	H	α-helix	trans	-88.8	-11	175.1	-79.1	-172.9	-121.5	159.8	7.9	114.2	S318 Q319 L320 G324 N351	S318-R322 VanDerWaalsContact O-CG 3.3Å; S318-R322 WeakPolarHBondContact O-CG 3.27Å; S318-R322 PolarHBondContact O-N 3.4Å; S318-R322 PolarHBondContact O-NE 2.86Å; S318-R322 PolarHBondContact OG-NE 2.87Å; S318-R322 PolarHBondContact OG-NH2 3.4Å; Q319-R322 PolarHBondContact O-N 3.31Å; L320-R322 VanDerWaalsContact C-N 3.25Å; L320-R322 PolarHBondContact O-N 3.29Å; R322-G324 PolarHBondContact O-N 3.4Å; R322-N351 VanDerWaalsContact NH2-CA 3.26Å
323	I	88.2	Confident	95.8	Very high	86 Å²	86	29 Å²	29	44%	0.441	15%	0.149	S	C	.	.	S	Bend	trans	-62.9	-35.2	179.3	-61.6	169.5	0	0	0	110.8	P247 Q319 L320	P247-I323 HydrophobicContact CB-CD1 3.67Å; Q319-I323 PolarHBondContact O-N 2.88Å; L320-I323 HydrophobicContact CD2-CD1 4.18Å; L320-I323 WeakPolarHBondContact O-CG1 3.35Å; L320-I323 PolarHBondContact O-N 2.91Å
324	G	90.1	Very high	95.8	Very high	31 Å²	31	29 Å²	29	32%	0.32	15%	0.149	S	C	.	.	S	Bend	trans	177.4	-172.1	178.9	0	0	0	0	0	111.2	R322 T326	R322-G324 PolarHBondContact O-N 3.4Å; G324-T326 PolarHBondContact O-N 3.25Å; G324-T326 PolarHBondContact O-OG1 3.5Å
325	P	94.7	Very high	95.7	Very high	86 Å²	86	31.1 Å²	31.1	56%	0.558	16%	0.157	S	C	*	.			trans	-52.9	126.2	172.6	-22.4	33.3	0	0	0	110	F475	P325-F475 HydrophobicContact CB-CB 4.28Å; P325-F475 PolarHBondContact O-N 2.89Å
326	T	96.1	Very high	95.7	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.055	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.5	-174.4	-57.9	0	0	0	0	108.7	T321 G324 G346 F347 I472 R473	T321-T326 HydrophobicContact CG2-CG2 4.14Å; G324-T326 PolarHBondContact O-N 3.25Å; G324-T326 PolarHBondContact O-OG1 3.5Å; T326-G346 CarbonylContact O-C 3.54Å; T326-G346 WeakPolarHBondContact O-CA 3.11Å; T326-F347 PolarHBondContact O-N 3.46Å; T326-I472 HydrophobicContact CG2-CB 3.75Å; T326-I472 HydrophobicContact CG2-CD1 4.26Å; T326-I472 HydrophobicContact CG2-CG1 4.41Å; T326-I472 HydrophobicContact CG2-CG2 4.31Å; T326-R473 CarbonylContact C-O 3.54Å; T326-R473 WeakPolarHBondContact CA-O 3.5Å
327	E	96.7	Very high	95.7	Very high	13 Å²	13	35.1 Å²	35.1	6%	0.061	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	148.8	170.9	56.3	177	174.6	0	0	110.7	W267 H343 Y344 I472 R473 F475	W267-E327 HydrophobicContact CH2-CG 4Å; W267-E327 HydrophobicContact CZ3-CG 4.14Å; E327-H343 IonicContact OE2-CD2 3.86Å; E327-H343 IonicContact OE2-CE1 2.71Å; E327-H343 PolarHBondContact OE2-CE1 3.47Å; E327-H343 VanDerWaalsContact OE2-CE1 3.26Å; E327-H343 IonicContact OE2-NE2 3.68Å; E327-H343 PolarHBondContact OE2-NE2 3.36Å; E327-Y344 CarbonylContact C-O 3.57Å; E327-Y344 VanDerWaalsContact CA-O 3.3Å; E327-Y344 WeakPolarHBondContact CA-O 3.32Å; E327-I472 VanDerWaalsContact O-CA 3.23Å; E327-I472 WeakPolarHBondContact O-CA 3.22Å; E327-R473 HydrophobicContact CG-CB 4.07Å; E327-R473 VanDerWaalsContact CG-O 3.28Å; E327-R473 WeakPolarHBondContact CG-O 2.9Å; E327-R473 PolarHBondContact N-O 3.13Å; E327-R473 PolarHBondContact O-N 3.5Å; E327-R473 IonicContact OE1-CZ 3.81Å; E327-R473 IonicContact OE1-NE 3.28Å; E327-R473 PolarHBondContact OE1-NE 3.27Å; E327-R473 IonicContact OE1-NH2 2.61Å; E327-R473 PolarHBondContact OE1-NH2 2.93Å; E327-F475 HydrophobicContact CB-CB 4.17Å; E327-F475 HydrophobicContact CB-CD2 4.22Å; E327-F475 HydrophobicContact CG-CB 4.28Å; E327-F475 HydrophobicContact CG-CD2 4.4Å
328	L	97.7	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.7	178.3	169.6	69.3	0	0	0	109.4	I270 I330 H343 Y344 F347 M470 I472	I270-L328 HydrophobicContact CD1-CD1 4.34Å; L328-I330 HydrophobicContact CD1-CG1 4.23Å; L328-I330 HydrophobicContact CD2-CD1 4.07Å; L328-I330 HydrophobicContact CD2-CG1 4.09Å; L328-I330 HydrophobicContact CG-CG1 4Å; L328-H343 CarbonylContact O-C 3.55Å; L328-H343 WeakPolarHBondContact O-CA 3.33Å; L328-Y344 HydrophobicContact CD2-CD2 4.25Å; L328-Y344 PolarHBondContact N-O 3.3Å; L328-Y344 PolarHBondContact O-N 2.97Å; L328-F347 HydrophobicContact CB-CB 3.64Å; L328-F347 HydrophobicContact CB-CD1 4.04Å; L328-F347 HydrophobicContact CB-CD2 4.33Å; L328-F347 HydrophobicContact CB-CG 3.76Å; L328-F347 HydrophobicContact CD2-CD1 4.48Å; L328-F347 HydrophobicContact CD2-CD2 3.71Å; L328-F347 HydrophobicContact CD2-CE2 3.91Å; L328-F347 HydrophobicContact CD2-CG 3.99Å; L328-F347 HydrophobicContact CD2-CZ 4.39Å; L328-F347 HydrophobicContact CG-CG 4.39Å; L328-M470 HydrophobicContact CD1-CB 4.13Å; L328-M470 HydrophobicContact CD1-CE 4.08Å; L328-M470 HydrophobicContact CD2-CE 4.12Å; L328-I472 HydrophobicContact CB-CG2 4.34Å; L328-I472 HydrophobicContact CD1-CG2 3.77Å
329	L	98.2	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.9	169.8	178.6	65	0	0	0	109	T262 W267 E331 K341 H343 K471	T262-L329 HydrophobicContact CG2-CD2 4.13Å; W267-L329 HydrophobicContact CE3-CB 4.15Å; W267-L329 HydrophobicContact CH2-CB 3.53Å; W267-L329 HydrophobicContact CH2-CD2 4.24Å; W267-L329 HydrophobicContact CH2-CG 4.48Å; W267-L329 HydrophobicContact CZ2-CB 4.05Å; W267-L329 HydrophobicContact CZ2-CD2 3.87Å; W267-L329 HydrophobicContact CZ3-CB 3.58Å; L329-E331 HydrophobicContact CD1-CG 4.35Å; L329-E331 HydrophobicContact CD2-CG 4.19Å; L329-E331 HydrophobicContact CG-CG 4Å; L329-K341 HydrophobicContact CD1-CB 4.04Å; L329-K341 HydrophobicContact CD1-CD 4.38Å; L329-H343 HydrophobicContact CD1-CB 4.23Å; L329-K471 HydrophobicContact CB-CG 3.92Å; L329-K471 HydrophobicContact CD2-CD 4.09Å; L329-K471 HydrophobicContact CD2-CG 4.35Å; L329-K471 HydrophobicContact CG-CG 4.38Å; L329-K471 PolarHBondContact N-O 2.97Å; L329-K471 PolarHBondContact O-N 3.43Å
330	I	98.3	Very high	95.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.7	171.5	-51.9	-177.8	0	0	0	107.8	L328 M332 K341 A342 Y344 L371 W455 M468 S469 M470	L328-I330 HydrophobicContact CD1-CG1 4.23Å; L328-I330 HydrophobicContact CD2-CD1 4.07Å; L328-I330 HydrophobicContact CD2-CG1 4.09Å; L328-I330 HydrophobicContact CG-CG1 4Å; I330-M332 HydrophobicContact CG2-CE 3.88Å; I330-K341 CarbonylContact O-C 3.49Å; I330-K341 VanDerWaalsContact O-CA 3.29Å; I330-K341 WeakPolarHBondContact O-CA 3.35Å; I330-A342 HydrophobicContact CB-CB 4.29Å; I330-A342 PolarHBondContact N-O 3.24Å; I330-A342 PolarHBondContact O-N 2.98Å; I330-Y344 HydrophobicContact CD1-CE2 4.28Å; I330-L371 HydrophobicContact CD1-CD1 4.09Å; I330-W455 HydrophobicContact CD1-CH2 3.95Å; I330-W455 HydrophobicContact CD1-CZ3 4.02Å; I330-W455 HydrophobicContact CG2-CZ3 4.31Å; I330-M468 HydrophobicContact CG2-SD 3.63Å; I330-S469 VanDerWaalsContact CA-O 3.28Å; I330-S469 WeakPolarHBondContact CA-O 3.42Å; I330-M470 HydrophobicContact CD1-CE 4.29Å; I330-M470 HydrophobicContact CD1-CG 4.46Å; I330-M470 HydrophobicContact CG1-CG 4.16Å; I330-M470 HydrophobicContact CG2-CG 4.42Å
331	E	97.9	Very high	96	Very high	58 Å²	58	49.4 Å²	49.4	27%	0.271	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.1	174.8	-61.9	-173.1	122.2	0	0	109.9	L329 K341 M468 S469 K471	L329-E331 HydrophobicContact CD1-CG 4.35Å; L329-E331 HydrophobicContact CD2-CG 4.19Å; L329-E331 HydrophobicContact CG-CG 4Å; E331-K341 HydrophobicContact CG-CB 4.5Å; E331-M468 CarbonylContact O-C 3.53Å; E331-M468 WeakPolarHBondContact O-CA 3.39Å; E331-S469 PolarHBondContact N-O 2.66Å; E331-S469 PolarHBondContact O-N 3.33Å; E331-K471 WeakPolarHBondContact OE2-CE 3.28Å; E331-K471 IonicContact OE2-NZ 3.61Å; E331-K471 PolarHBondContact OE2-NZ 2.97Å
332	M	97.6	Very high	96.1	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148.8	178.5	63.7	-162.2	74.2	0	0	111	I330 K339 V340 A367 W455 W458 M465 K467 M468	I330-M332 HydrophobicContact CG2-CE 3.88Å; M332-K339 WeakPolarHBondContact O-CA 3.16Å; M332-V340 HydrophobicContact CG-CG2 3.3Å; M332-V340 PolarHBondContact N-O 2.94Å; M332-V340 VanDerWaalsContact N-O 3.09Å; M332-V340 PolarHBondContact O-N 3.37Å; M332-V340 HydrophobicContact SD-CG2 3.68Å; M332-A367 HydrophobicContact CE-CB 3.88Å; M332-A367 HydrophobicContact SD-CB 4.14Å; M332-W455 HydrophobicContact CE-CB 4.32Å; M332-W455 HydrophobicContact CE-CD2 3.5Å; M332-W455 HydrophobicContact CE-CE3 3.57Å; M332-W455 HydrophobicContact CE-CG 3.85Å; M332-W455 HydrophobicContact CE-CH2 4.45Å; M332-W455 HydrophobicContact CE-CZ2 4.38Å; M332-W455 HydrophobicContact CE-CZ3 4.07Å; M332-W455 HydrophobicContact SD-CB 3.59Å; M332-W455 VanDerWaalsContact SD-CB 3.59Å; M332-W455 HydrophobicContact SD-CD2 3.94Å; M332-W455 HydrophobicContact SD-CE3 4.38Å; M332-W455 HydrophobicContact SD-CG 3.58Å; M332-W455 VanDerWaalsContact SD-CG 3.58Å; M332-W458 HydrophobicContact CB-CZ3 4.45Å; M332-W458 HydrophobicContact CG-CE3 3.85Å; M332-W458 HydrophobicContact CG-CZ3 3.74Å; M332-W458 HydrophobicContact SD-CE3 3.84Å; M332-W458 HydrophobicContact SD-CZ3 4.32Å; M332-M465 HydrophobicContact CB-CG 4.29Å; M332-K467 CarbonylContact C-O 3.47Å; M332-K467 VanDerWaalsContact CA-O 3.23Å; M332-K467 WeakPolarHBondContact CA-O 3.37Å; M332-M468 HydrophobicContact CB-CE 3.68Å; M332-M468 HydrophobicContact CB-SD 3.91Å; M332-M468 HydrophobicContact CE-CE 3.98Å; M332-M468 HydrophobicContact CE-SD 4.16Å; M332-M468 HydrophobicContact CG-CE 4.46Å; M332-M468 HydrophobicContact SD-CE 4.05Å
333	E	98.2	Very high	96.5	Very high	20 Å²	20	44.1 Å²	44.1	9%	0.093	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132	-176.2	-169	176.9	156.4	0	0	109.4	D338 K339 R466 K467	E333-D338 WeakPolarHBondContact CA-O 3.39Å; E333-K339 HydrophobicContact CB-CG 4.11Å; E333-K339 HydrophobicContact CG-CG 3.78Å; E333-K339 WeakPolarHBondContact OE2-CE 3.41Å; E333-K339 IonicContact OE2-NZ 2.92Å; E333-R466 PolarHBondContact O-N 3.03Å; E333-R466 IonicContact OE1-CZ 3.33Å; E333-R466 IonicContact OE1-NE 3.72Å; E333-R466 IonicContact OE1-NH2 2.77Å; E333-R466 PolarHBondContact OE1-NH2 2.8Å; E333-K467 HydrophobicContact CB-CB 3.87Å; E333-K467 HydrophobicContact CB-CG 4.28Å; E333-K467 PolarHBondContact N-O 2.73Å; E333-K467 PolarHBondContact O-N 3.19Å; E333-K467 VanDerWaalsContact O-N 3.11Å; E333-K467 WeakPolarHBondContact OE2-CD 3.2Å; E333-K467 IonicContact OE2-NZ 2.66Å
334	D	97.5	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.			trans	-83.1	177.1	175.3	83.3	-3.1	0	0	0	111.6	K336 G337 D338 W458 K459 Y463 R466	D334-K336 PolarHBondContact O-N 2.81Å; D334-K336 VanDerWaalsContact OD1-CA 3.29Å; D334-K336 WeakPolarHBondContact OD1-CA 3.29Å; D334-K336 WeakPolarHBondContact OD1-CB 3.44Å; D334-K336 PolarHBondContact OD1-N 3.4Å; D334-G337 PolarHBondContact O-N 2.74Å; D334-G337 PolarHBondContact OD1-N 3.45Å; D334-D338 PolarHBondContact N-O 3.38Å; D334-D338 PolarHBondContact OD1-N 2.91Å; D334-W458 HydrophobicContact CB-CH2 3.54Å; D334-W458 HydrophobicContact CB-CZ2 4.22Å; D334-W458 HydrophobicContact CB-CZ3 4.11Å; D334-K459 VanDerWaalsContact OD2-CE 3.31Å; D334-K459 WeakPolarHBondContact OD2-CE 3.04Å; D334-K459 IonicContact OD2-NZ 3.73Å; D334-K459 PolarHBondContact OD2-NZ 2.96Å; D334-Y463 HydrophobicContact CB-CE1 3.79Å; D334-Y463 WeakPolarHBondContact CB-OH 3.17Å; D334-R466 PolarHBondContact O-NE 3.15Å
335	W	97.1	Very high	97.1	Very high	46 Å²	46	38.8 Å²	38.8	17%	0.174	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-11	-179.6	-68	79.4	0	0	0	113.6	Y434 Y435 W436 G437 G438 Y463 S464 R466	W335-Y434 AromaticContact CH2-CE1 3.9Å; W335-Y434 HydrophobicContact CH2-CE1 3.9Å; W335-Y434 AromaticContact CZ2-CE1 3.9Å; W335-Y434 HydrophobicContact CZ2-CE1 3.9Å; W335-Y434 AromaticContact CZ2-CZ 3.85Å; W335-Y435 WeakPolarHBondContact CZ2-O 2.99Å; W335-W436 HydrophobicContact CH2-CB 4.33Å; W335-W436 AromaticContact CH2-CD2 3.55Å; W335-W436 HydrophobicContact CH2-CD2 3.55Å; W335-W436 AromaticContact CH2-CE2 3.98Å; W335-W436 AromaticContact CH2-CE3 3.62Å; W335-W436 HydrophobicContact CH2-CE3 3.62Å; W335-W436 AromaticContact CH2-CG 3.91Å; W335-W436 HydrophobicContact CH2-CG 3.91Å; W335-W436 HydrophobicContact CH2-CH2 4.45Å; W335-W436 HydrophobicContact CH2-CZ2 4.42Å; W335-W436 HydrophobicContact CH2-CZ3 4.08Å; W335-W436 AromaticContact CZ3-CD2 3.83Å; W335-W436 HydrophobicContact CZ3-CD2 3.83Å; W335-W436 AromaticContact CZ3-CE2 3.74Å; W335-W436 HydrophobicContact CZ3-CE3 4.19Å; W335-W436 HydrophobicContact CZ3-CG 4.22Å; W335-W436 HydrophobicContact CZ3-CH2 4.37Å; W335-W436 HydrophobicContact CZ3-CZ2 4.04Å; W335-W436 HydrophobicContact CZ3-CZ3 4.45Å; W335-G437 VanDerWaalsContact CH2-N 3.3Å; W335-G438 VanDerWaalsContact NE1-N 3.15Å; W335-Y463 AromaticContact CD1-CZ 3.96Å; W335-Y463 PolarHBondContact N-OH 3.01Å; W335-S464 PolarHBondContact NE1-O 2.67Å; W335-R466 HydrophobicContact CD2-CB 3.85Å; W335-R466 HydrophobicContact CD2-CG 4.12Å; W335-R466 HydrophobicContact CE3-CB 4.42Å; W335-R466 HydrophobicContact CE3-CG 4.18Å; W335-R466 HydrophobicContact CG-CB 4Å; W335-R466 HydrophobicContact CH2-CG 4.39Å; W335-R466 HydrophobicContact CZ2-CB 4.28Å; W335-R466 HydrophobicContact CZ2-CG 4.34Å; W335-R466 HydrophobicContact CZ3-CG 4.32Å; W335-R466 PolarHBondContact O-NH1 3.12Å
336	K	96.5	Very high	97.2	Very high	177 Å²	177	35.4 Å²	35.4	77%	0.77	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-11.3	176.8	-60.8	179.6	179.9	179.6	0	112.4	D334	D334-K336 PolarHBondContact O-N 2.81Å; D334-K336 VanDerWaalsContact OD1-CA 3.29Å; D334-K336 WeakPolarHBondContact OD1-CA 3.29Å; D334-K336 WeakPolarHBondContact OD1-CB 3.44Å; D334-K336 PolarHBondContact OD1-N 3.4Å
337	G	96.1	Very high	97.2	Very high	31 Å²	31	35 Å²	35	32%	0.32	17%	0.173	S	C	.	.	S	Bend	trans	97.3	4.8	179.8	0	0	0	0	0	114.5	D334	D334-G337 PolarHBondContact O-N 2.74Å; D334-G337 PolarHBondContact OD1-N 3.45Å
338	D	97.8	Very high	97.3	Very high	91 Å²	91	36.8 Å²	36.8	49%	0.487	19%	0.185	S	C	.	.			trans	-69.8	136.8	173	-66.9	-32.7	0	0	0	109.3	E333 D334 W458	E333-D338 WeakPolarHBondContact CA-O 3.39Å; D334-D338 PolarHBondContact N-O 3.38Å; D334-D338 PolarHBondContact OD1-N 2.91Å; D338-W458 HydrophobicContact CB-CH2 4.48Å; D338-W458 HydrophobicContact CB-CZ2 3.97Å; D338-W458 WeakPolarHBondContact O-CH2 3.26Å
339	K	97.3	Very high	97.3	Very high	148 Å²	148	36.9 Å²	36.9	64%	0.643	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.6	-178.7	-66.5	179.2	178.6	-174	0	111.2	M332 E333	M332-K339 WeakPolarHBondContact O-CA 3.16Å; E333-K339 HydrophobicContact CB-CG 4.11Å; E333-K339 HydrophobicContact CG-CG 3.78Å; E333-K339 WeakPolarHBondContact OE2-CE 3.41Å; E333-K339 IonicContact OE2-NZ 2.92Å
340	V	97.8	Very high	97.3	Very high	18 Å²	18	40.1 Å²	40.1	11%	0.109	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.3	171.8	-62.7	0	0	0	0	110.4	M332 A367 W458	M332-V340 HydrophobicContact CG-CG2 3.3Å; M332-V340 PolarHBondContact N-O 2.94Å; M332-V340 VanDerWaalsContact N-O 3.09Å; M332-V340 PolarHBondContact O-N 3.37Å; M332-V340 HydrophobicContact SD-CG2 3.68Å; V340-A367 HydrophobicContact CB-CB 3.94Å; V340-A367 HydrophobicContact CG2-CB 3.55Å; V340-W458 HydrophobicContact CG1-CD2 4.18Å; V340-W458 HydrophobicContact CG1-CG 4.44Å; V340-W458 HydrophobicContact CG1-CZ2 3.9Å; V340-W458 HydrophobicContact CG2-CD2 3.5Å; V340-W458 HydrophobicContact CG2-CE3 3.59Å; V340-W458 HydrophobicContact CG2-CG 3.98Å; V340-W458 HydrophobicContact CG2-CH2 4.13Å; V340-W458 HydrophobicContact CG2-CZ2 4.09Å; V340-W458 HydrophobicContact CG2-CZ3 3.9Å
341	K	97	Very high	97.2	Very high	81 Å²	81	42.8 Å²	42.8	35%	0.352	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.1	-180	62.9	-177.1	-179.6	-179	0	112.4	E263 L329 I330 E331 G365 T366 A367	E263-K341 IonicContact OE1-NZ 3.4Å; E263-K341 PolarHBondContact OE1-NZ 2.77Å; L329-K341 HydrophobicContact CD1-CB 4.04Å; L329-K341 HydrophobicContact CD1-CD 4.38Å; I330-K341 CarbonylContact O-C 3.49Å; I330-K341 VanDerWaalsContact O-CA 3.29Å; I330-K341 WeakPolarHBondContact O-CA 3.35Å; E331-K341 HydrophobicContact CG-CB 4.5Å; K341-G365 CarbonylContact O-C 3.41Å; K341-G365 VanDerWaalsContact O-CA 3.26Å; K341-G365 WeakPolarHBondContact O-CA 3.29Å; K341-T366 PolarHBondContact N-OG1 3.34Å; K341-T366 PolarHBondContact O-N 2.96Å; K341-A367 PolarHBondContact O-N 2.89Å; K341-A367 VanDerWaalsContact O-N 3.08Å
342	A	97.7	Very high	97.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	112.7	167.1	0	0	0	0	0	108.5	I330 Y344 Y363 A367 W455	I330-A342 HydrophobicContact CB-CB 4.29Å; I330-A342 PolarHBondContact N-O 3.24Å; I330-A342 PolarHBondContact O-N 2.98Å; A342-Y344 HydrophobicContact CB-CE2 3.85Å; A342-Y363 HydrophobicContact CB-CE2 3.82Å; A342-A367 HydrophobicContact CB-CB 4.13Å; A342-W455 HydrophobicContact CB-CH2 4.14Å; A342-W455 HydrophobicContact CB-CZ2 3.89Å
343	H	97.6	Very high	97.1	Very high	29 Å²	29	46.1 Å²	46.1	13%	0.134	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.1	178.2	-179.8	-84.2	0	0	0	109	E327 L328 L329 Y363 K364	E327-H343 IonicContact OE2-CD2 3.86Å; E327-H343 IonicContact OE2-CE1 2.71Å; E327-H343 PolarHBondContact OE2-CE1 3.47Å; E327-H343 VanDerWaalsContact OE2-CE1 3.26Å; E327-H343 IonicContact OE2-NE2 3.68Å; E327-H343 PolarHBondContact OE2-NE2 3.36Å; L328-H343 CarbonylContact O-C 3.55Å; L328-H343 WeakPolarHBondContact O-CA 3.33Å; L329-H343 HydrophobicContact CD1-CB 4.23Å; H343-Y363 CarbonylContact O-C 3.58Å; H343-Y363 VanDerWaalsContact O-CA 3.28Å; H343-Y363 WeakPolarHBondContact O-CA 3.1Å; H343-K364 WeakPolarHBondContact CA-O 3.43Å; H343-K364 WeakPolarHBondContact CB-O 3.42Å; H343-K364 PolarHBondContact N-O 2.71Å; H343-K364 PolarHBondContact O-N 2.93Å
344	Y	97.3	Very high	97.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.2	176.5	-63	-90.4	0	0	0	108.1	E327 L328 I330 A342 G346 V360 D361 Y363 N369 L371 M372	E327-Y344 CarbonylContact C-O 3.57Å; E327-Y344 VanDerWaalsContact CA-O 3.3Å; E327-Y344 WeakPolarHBondContact CA-O 3.32Å; L328-Y344 HydrophobicContact CD2-CD2 4.25Å; L328-Y344 PolarHBondContact N-O 3.3Å; L328-Y344 PolarHBondContact O-N 2.97Å; I330-Y344 HydrophobicContact CD1-CE2 4.28Å; A342-Y344 HydrophobicContact CB-CE2 3.85Å; Y344-G346 PolarHBondContact O-N 3.37Å; Y344-V360 HydrophobicContact CD1-CB 3.83Å; Y344-V360 HydrophobicContact CD1-CG1 4.34Å; Y344-V360 HydrophobicContact CD1-CG2 4.25Å; Y344-V360 HydrophobicContact CE1-CB 4.37Å; Y344-V360 HydrophobicContact CE1-CG2 4.31Å; Y344-V360 HydrophobicContact CG-CB 4.24Å; Y344-V360 HydrophobicContact CG-CG1 4.3Å; Y344-D361 CarbonylContact C-O 3.54Å; Y344-D361 WeakPolarHBondContact CA-O 3.45Å; Y344-Y363 HydrophobicContact CD1-CD2 4.17Å; Y344-Y363 AromaticContact CE1-CD2 3.6Å; Y344-Y363 HydrophobicContact CE1-CD2 3.6Å; Y344-Y363 HydrophobicContact CE1-CG 4.15Å; Y344-Y363 HydrophobicContact CE2-CD2 4.19Å; Y344-Y363 AromaticContact CZ-CD2 3.59Å; Y344-N369 WeakPolarHBondContact CE1-OD1 3.39Å; Y344-N369 PolarHBondContact OH-OD1 3.49Å; Y344-L371 HydrophobicContact CD2-CD1 4.21Å; Y344-L371 HydrophobicContact CE1-CB 4.03Å; Y344-L371 HydrophobicContact CE1-CD1 4.29Å; Y344-L371 HydrophobicContact CE1-CG 4.46Å; Y344-L371 HydrophobicContact CE2-CD1 3.57Å; Y344-L371 HydrophobicContact CE2-CG 4.11Å; Y344-L371 WeakPolarHBondContact OH-CB 3.48Å; Y344-L371 WeakPolarHBondContact OH-CG 3.3Å; Y344-L371 PolarHBondContact OH-N 2.82Å; Y344-M372 HydrophobicContact CD1-SD 4.35Å; Y344-M372 HydrophobicContact CE1-CG 4.17Å; Y344-M372 HydrophobicContact CE1-SD 4.29Å
345	G	95.1	Very high	97.1	Very high	5 Å²	5	52.6 Å²	52.6	5%	0.052	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-13	-177.5	0	0	0	0	0	114.6	D361 K362	G345-D361 PolarHBondContact N-O 2.97Å; G345-K362 PolarHBondContact N-O 3.4Å
346	G	95.2	Very high	97.2	Very high	15 Å²	15	50.4 Å²	50.4	16%	0.155	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	126.7	169.4	0	0	0	0	0	110.1	T326 Y344 V360 D361	T326-G346 CarbonylContact O-C 3.54Å; T326-G346 WeakPolarHBondContact O-CA 3.11Å; Y344-G346 PolarHBondContact O-N 3.37Å; G346-V360 CarbonylContact O-C 3.35Å; G346-V360 WeakPolarHBondContact O-CA 3.43Å; G346-D361 WeakPolarHBondContact CA-OD1 3.35Å; G346-D361 PolarHBondContact N-O 2.98Å; G346-D361 PolarHBondContact N-OD1 3.49Å; G346-D361 PolarHBondContact O-N 2.98Å
347	F	97.6	Very high	97.2	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	123.3	176.6	172.3	-115.3	0	0	0	109.7	I270 I317 T321 T326 L328 V349 V358 S359 V360 W421 I472	I270-F347 HydrophobicContact CD1-CE1 4.02Å; I270-F347 HydrophobicContact CD1-CZ 4.25Å; I317-F347 HydrophobicContact CG2-CE1 4.08Å; I317-F347 HydrophobicContact CG2-CZ 4.24Å; T321-F347 HydrophobicContact CG2-CD1 3.49Å; T321-F347 VanDerWaalsContact CG2-CD1 3.49Å; T321-F347 HydrophobicContact CG2-CE1 3.56Å; T321-F347 HydrophobicContact CG2-CG 4.49Å; T326-F347 PolarHBondContact O-N 3.46Å; L328-F347 HydrophobicContact CB-CB 3.64Å; L328-F347 HydrophobicContact CB-CD1 4.04Å; L328-F347 HydrophobicContact CB-CD2 4.33Å; L328-F347 HydrophobicContact CB-CG 3.76Å; L328-F347 HydrophobicContact CD2-CD1 4.48Å; L328-F347 HydrophobicContact CD2-CD2 3.71Å; L328-F347 HydrophobicContact CD2-CE2 3.91Å; L328-F347 HydrophobicContact CD2-CG 3.99Å; L328-F347 HydrophobicContact CD2-CZ 4.39Å; L328-F347 HydrophobicContact CG-CG 4.39Å; F347-V349 HydrophobicContact CE1-CG2 4.06Å; F347-V349 HydrophobicContact CE2-CG2 3.81Å; F347-V349 HydrophobicContact CZ-CG2 3.42Å; F347-V349 VanDerWaalsContact CZ-CG2 3.42Å; F347-V358 HydrophobicContact CD2-CG2 4.09Å; F347-V358 HydrophobicContact CE2-CG2 3.69Å; F347-S359 WeakPolarHBondContact CA-O 3.5Å; F347-V360 HydrophobicContact CD2-CG1 3.7Å; F347-W421 HydrophobicContact CE2-CH2 4.25Å; F347-W421 HydrophobicContact CZ-CH2 4.15Å; F347-I472 HydrophobicContact CD1-CG2 3.68Å; F347-I472 HydrophobicContact CE1-CG2 3.76Å
348	T	97.4	Very high	97.3	Very high	50 Å²	50	44 Å²	44	31%	0.307	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.2	175	60.9	0	0	0	0	111.1	V358 S359	T348-V358 WeakPolarHBondContact O-CA 3.4Å; T348-S359 PolarHBondContact N-O 3.24Å; T348-S359 PolarHBondContact O-N 2.94Å
349	V	98.1	Very high	97.3	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128	173.5	179.4	0	0	0	0	108.2	I317 S318 T321 F347 Y356 Q357 W421	I317-V349 HydrophobicContact CG2-CB 4.32Å; I317-V349 HydrophobicContact CG2-CG2 3.91Å; S318-V349 WeakPolarHBondContact CA-O 3.15Å; S318-V349 VanDerWaalsContact CB-O 3.31Å; S318-V349 WeakPolarHBondContact CB-O 3.43Å; S318-V349 PolarHBondContact OG-O 3.18Å; T321-V349 PolarHBondContact OG1-N 2.89Å; F347-V349 HydrophobicContact CE1-CG2 4.06Å; F347-V349 HydrophobicContact CE2-CG2 3.81Å; F347-V349 HydrophobicContact CZ-CG2 3.42Å; F347-V349 VanDerWaalsContact CZ-CG2 3.42Å; V349-Y356 HydrophobicContact CG1-CD1 4.4Å; V349-Q357 WeakPolarHBondContact CA-O 3.41Å; V349-W421 HydrophobicContact CG1-CZ2 4.47Å; V349-W421 HydrophobicContact CG2-CH2 4.43Å; V349-W421 HydrophobicContact CG2-CZ2 3.78Å
350	Q	97.5	Very high	97.3	Very high	69 Å²	69	35.5 Å²	35.5	32%	0.322	20%	0.198	S	C	.	.			trans	-78.6	173.7	-178.6	-64.3	-63.3	-28.1	0	0	113	S318 N354 Y356 Q357	S318-Q350 WeakPolarHBondContact CB-O 3.36Å; S318-Q350 PolarHBondContact OG-O 3.29Å; Q350-N354 HydrophobicContact CB-CB 3.64Å; Q350-N354 HydrophobicContact CG-CB 4.37Å; Q350-Y356 WeakPolarHBondContact O-CA 3.45Å; Q350-Y356 VanDerWaalsContact O-CD1 3.23Å; Q350-Y356 WeakPolarHBondContact O-CD1 3.48Å; Q350-Q357 HydrophobicContact CB-CB 4.19Å; Q350-Q357 HydrophobicContact CG-CB 4.08Å; Q350-Q357 PolarHBondContact N-O 3.47Å
351	N	96.6	Very high	97.2	Very high	56 Å²	56	37.7 Å²	37.7	30%	0.299	21%	0.209	S	C	.	.			trans	-68.7	174.3	176	63.3	-1	0	0	0	112.8	R322 A353 N354 K355 Y356	R322-N351 VanDerWaalsContact NH2-CA 3.26Å; N351-A353 VanDerWaalsContact C-N 3.28Å; N351-A353 PolarHBondContact O-N 3.41Å; N351-N354 CarbonylContact O-C 3.56Å; N351-N354 PolarHBondContact O-N 3.16Å; N351-N354 VanDerWaalsContact O-N 3.14Å; N351-N354 WeakPolarHBondContact OD1-CB 3.46Å; N351-N354 PolarHBondContact OD1-N 3.23Å; N351-N354 PolarHBondContact OD1-ND2 2.87Å; N351-K355 PolarHBondContact O-N 2.9Å; N351-Y356 PolarHBondContact O-N 3Å
352	E	97.2	Very high	97.1	Very high	51 Å²	51	40.1 Å²	40.1	24%	0.238	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.3	-35.6	175	-174.6	172	-157.8	0	0	113.5	W284 K288 N354 K355 Y356 R398	W284-E352 HydrophobicContact CZ2-CG 4.29Å; W284-E352 PolarHBondContact NE1-OE1 3.19Å; K288-E352 WeakPolarHBondContact CE-OE2 3.38Å; K288-E352 IonicContact NZ-OE1 3.58Å; K288-E352 IonicContact NZ-OE2 2.75Å; K288-E352 PolarHBondContact NZ-OE2 2.86Å; E352-N354 PolarHBondContact O-N 2.99Å; E352-K355 WeakPolarHBondContact O-CA 3.4Å; E352-K355 PolarHBondContact O-N 3.34Å; E352-Y356 HydrophobicContact CB-CE1 4.13Å; E352-Y356 HydrophobicContact CB-CE2 4.22Å; E352-Y356 HydrophobicContact CG-CE2 4.25Å; E352-R398 IonicContact OE1-CZ 3.96Å; E352-R398 IonicContact OE1-NH1 3.43Å; E352-R398 IonicContact OE1-NH2 3.52Å; E352-R398 PolarHBondContact OE1-NH2 2.94Å
353	A	97.2	Very high	97	Very high	80 Å²	80	43 Å²	43	66%	0.661	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-59.7	-34.7	178.2	0	0	0	0	0	111.6	N351 K355	N351-A353 VanDerWaalsContact C-N 3.28Å; N351-A353 PolarHBondContact O-N 3.41Å; A353-K355 VanDerWaalsContact C-N 3.3Å
354	N	97.4	Very high	97	Very high	77 Å²	77	49.2 Å²	49.2	41%	0.412	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-94.8	23.1	172.1	-63.4	-29.5	0	0	0	112.4	Q350 N351 E352 Y356 Q357 F392	Q350-N354 HydrophobicContact CB-CB 3.64Å; Q350-N354 HydrophobicContact CG-CB 4.37Å; N351-N354 CarbonylContact O-C 3.56Å; N351-N354 PolarHBondContact O-N 3.16Å; N351-N354 VanDerWaalsContact O-N 3.14Å; N351-N354 WeakPolarHBondContact OD1-CB 3.46Å; N351-N354 PolarHBondContact OD1-N 3.23Å; N351-N354 PolarHBondContact OD1-ND2 2.87Å; E352-N354 PolarHBondContact O-N 2.99Å; N354-Y356 PolarHBondContact O-N 3.44Å; N354-Q357 WeakPolarHBondContact O-CB 3.41Å; N354-Q357 PolarHBondContact O-N 3.5Å; N354-F392 WeakPolarHBondContact O-CD1 3.43Å
355	K	97.8	Very high	96.8	Very high	79 Å²	79	50.8 Å²	50.8	34%	0.343	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	34.4	174.2	-52.1	153.4	-174.5	-71.2	0	113.7	N351 E352 A353 Q357 F392 F393 N400	N351-K355 PolarHBondContact O-N 2.9Å; E352-K355 WeakPolarHBondContact O-CA 3.4Å; E352-K355 PolarHBondContact O-N 3.34Å; A353-K355 VanDerWaalsContact C-N 3.3Å; K355-Q357 VanDerWaalsContact C-N 3.25Å; K355-Q357 PolarHBondContact O-N 2.88Å; K355-F392 HydrophobicContact CB-CB 3.99Å; K355-F392 HydrophobicContact CB-CD1 3.81Å; K355-F392 HydrophobicContact CB-CG 4.08Å; K355-F392 HydrophobicContact CD-CB 4.27Å; K355-F392 HydrophobicContact CD-CD1 3.9Å; K355-F392 HydrophobicContact CD-CD2 4.1Å; K355-F392 HydrophobicContact CD-CE1 4.26Å; K355-F392 HydrophobicContact CD-CE2 4.44Å; K355-F392 HydrophobicContact CD-CG 3.82Å; K355-F392 HydrophobicContact CG-CD1 4.47Å; K355-F393 WeakPolarHBondContact O-CB 3.16Å; K355-F393 PolarHBondContact O-N 3.33Å; K355-N400 HydrophobicContact CD-CB 4.24Å; K355-N400 WeakPolarHBondContact CD-OD1 3.35Å; K355-N400 PolarHBondContact NZ-OD1 3.33Å
356	Y	98.3	Very high	96.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	39.2	-177.2	-52.2	-67.9	0	0	0	114.2	W284 K288 N314 D315 V349 Q350 N351 E352 N354 V358 F393 W421	W284-Y356 AromaticContact CE2-CE2 3.78Å; W284-Y356 AromaticContact CH2-CD2 3.61Å; W284-Y356 HydrophobicContact CH2-CD2 3.61Å; W284-Y356 AromaticContact CH2-CE2 4Å; W284-Y356 HydrophobicContact CH2-CE2 4Å; W284-Y356 AromaticContact CZ2-CD2 3.32Å; W284-Y356 HydrophobicContact CZ2-CD2 3.32Å; W284-Y356 AromaticContact CZ2-CE2 3.21Å; W284-Y356 HydrophobicContact CZ2-CE2 3.21Å; K288-Y356 HydrophobicContact CB-CE2 4.46Å; K288-Y356 WeakPolarHBondContact CD-OH 3.47Å; K288-Y356 VanDerWaalsContact CG-OH 3.22Å; K288-Y356 WeakPolarHBondContact CG-OH 3.47Å; N314-Y356 HydrophobicContact CB-CD1 3.52Å; N314-Y356 HydrophobicContact CB-CD2 3.58Å; N314-Y356 HydrophobicContact CB-CE1 3.51Å; N314-Y356 HydrophobicContact CB-CE2 3.54Å; N314-Y356 HydrophobicContact CB-CG 3.57Å; N314-Y356 VanDerWaalsContact ND2-CD2 3.33Å; N314-Y356 WeakPolarHBondContact ND2-CD2 3.2Å; D315-Y356 VanDerWaalsContact CG-OH 3.28Å; D315-Y356 VanDerWaalsContact OD1-CE1 3.22Å; D315-Y356 WeakPolarHBondContact OD1-CE1 3.41Å; D315-Y356 VanDerWaalsContact OD1-CZ 3.3Å; D315-Y356 PolarHBondContact OD1-OH 3.03Å; V349-Y356 HydrophobicContact CG1-CD1 4.4Å; Q350-Y356 WeakPolarHBondContact O-CA 3.45Å; Q350-Y356 VanDerWaalsContact O-CD1 3.23Å; Q350-Y356 WeakPolarHBondContact O-CD1 3.48Å; N351-Y356 PolarHBondContact O-N 3Å; E352-Y356 HydrophobicContact CB-CE1 4.13Å; E352-Y356 HydrophobicContact CB-CE2 4.22Å; E352-Y356 HydrophobicContact CG-CE2 4.25Å; N354-Y356 PolarHBondContact O-N 3.44Å; Y356-V358 PolarHBondContact O-N 3.41Å; Y356-F393 HydrophobicContact CD2-CB 4.49Å; Y356-W421 PolarHBondContact O-NE1 2.99Å
357	Q	98.1	Very high	96.9	Very high	69 Å²	69	54.5 Å²	54.5	32%	0.322	29%	0.293	S	S	.	.			trans	-50.6	132.1	177	-169.2	179.6	26.2	0	0	111.9	V349 Q350 N354 K355 G390 M391 F392	V349-Q357 WeakPolarHBondContact CA-O 3.41Å; Q350-Q357 HydrophobicContact CB-CB 4.19Å; Q350-Q357 HydrophobicContact CG-CB 4.08Å; Q350-Q357 PolarHBondContact N-O 3.47Å; N354-Q357 WeakPolarHBondContact O-CB 3.41Å; N354-Q357 PolarHBondContact O-N 3.5Å; K355-Q357 VanDerWaalsContact C-N 3.25Å; K355-Q357 PolarHBondContact O-N 2.88Å; Q357-G390 WeakPolarHBondContact CG-O 3.34Å; Q357-G390 PolarHBondContact NE2-O 2.98Å; Q357-M391 WeakPolarHBondContact CA-O 3.19Å; Q357-F392 HydrophobicContact CB-CD1 3.82Å; Q357-F392 HydrophobicContact CB-CE1 3.96Å; Q357-F392 HydrophobicContact CG-CD1 4.07Å; Q357-F392 HydrophobicContact CG-CE1 4.04Å
358	V	97.9	Very high	96.7	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.03	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.1	176.7	66	0	0	0	0	111.5	F347 T348 Y356 V360 H388 G390 M391 W421	F347-V358 HydrophobicContact CD2-CG2 4.09Å; F347-V358 HydrophobicContact CE2-CG2 3.69Å; T348-V358 WeakPolarHBondContact O-CA 3.4Å; Y356-V358 PolarHBondContact O-N 3.41Å; V358-V360 HydrophobicContact CG2-CG1 4.21Å; V358-H388 WeakPolarHBondContact CG1-O 3.3Å; V358-G390 WeakPolarHBondContact O-CA 3.43Å; V358-G390 PolarHBondContact O-N 3.41Å; V358-M391 PolarHBondContact N-O 3.07Å; V358-M391 VanDerWaalsContact N-O 3.12Å; V358-W421 HydrophobicContact CB-CD2 3.78Å; V358-W421 HydrophobicContact CB-CE3 4.48Å; V358-W421 HydrophobicContact CB-CG 3.82Å; V358-W421 HydrophobicContact CB-CZ2 4.24Å; V358-W421 HydrophobicContact CG1-CB 3.77Å; V358-W421 HydrophobicContact CG1-CD2 3.79Å; V358-W421 HydrophobicContact CG1-CE3 4.45Å; V358-W421 HydrophobicContact CG1-CG 3.43Å; V358-W421 VanDerWaalsContact CG1-CG 3.43Å; V358-W421 HydrophobicContact CG2-CD2 4.28Å; V358-W421 HydrophobicContact CG2-CZ2 4.35Å
359	S	97.7	Very high	96.6	Very high	57 Å²	57	54 Å²	54	40%	0.399	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.9	165.2	178.9	0	0	0	0	109.3	F347 T348 N389	F347-S359 WeakPolarHBondContact CA-O 3.5Å; T348-S359 PolarHBondContact N-O 3.24Å; T348-S359 PolarHBondContact O-N 2.94Å; S359-N389 WeakPolarHBondContact CA-OD1 3.24Å
360	V	97.1	Very high	96.6	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.3	176.4	-73.3	0	0	0	0	111.7	Y344 G346 F347 V358 L371 M372 N389	Y344-V360 HydrophobicContact CD1-CB 3.83Å; Y344-V360 HydrophobicContact CD1-CG1 4.34Å; Y344-V360 HydrophobicContact CD1-CG2 4.25Å; Y344-V360 HydrophobicContact CE1-CB 4.37Å; Y344-V360 HydrophobicContact CE1-CG2 4.31Å; Y344-V360 HydrophobicContact CG-CB 4.24Å; Y344-V360 HydrophobicContact CG-CG1 4.3Å; G346-V360 CarbonylContact O-C 3.35Å; G346-V360 WeakPolarHBondContact O-CA 3.43Å; F347-V360 HydrophobicContact CD2-CG1 3.7Å; V358-V360 HydrophobicContact CG2-CG1 4.21Å; V360-L371 HydrophobicContact CG1-CD1 4.19Å; V360-L371 HydrophobicContact CG2-CB 3.88Å; V360-L371 HydrophobicContact CG2-CD1 4.42Å; V360-M372 HydrophobicContact CG2-CG 3.71Å; V360-N389 HydrophobicContact CG2-CB 3.96Å; V360-N389 PolarHBondContact N-OD1 2.95Å; V360-N389 PolarHBondContact O-ND2 3.33Å; V360-N389 VanDerWaalsContact O-ND2 3.12Å; V360-N389 PolarHBondContact O-OD1 2.9Å
361	D	95.2	Very high	96.5	Very high	65 Å²	65	50.9 Å²	50.9	35%	0.348	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	176.8	173.5	73.8	24.4	0	0	0	112.6	Y344 G345 G346 Y363	Y344-D361 CarbonylContact C-O 3.54Å; Y344-D361 WeakPolarHBondContact CA-O 3.45Å; G345-D361 PolarHBondContact N-O 2.97Å; G346-D361 WeakPolarHBondContact CA-OD1 3.35Å; G346-D361 PolarHBondContact N-O 2.98Å; G346-D361 PolarHBondContact N-OD1 3.49Å; G346-D361 PolarHBondContact O-N 2.98Å; D361-Y363 PolarHBondContact O-N 3.45Å
362	K	94.9	Very high	96.6	Very high	131 Å²	131	50.6 Å²	50.6	57%	0.57	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.8	51.7	173.6	-60.9	167.9	-168.5	168.8	0	113	G345	G345-K362 PolarHBondContact N-O 3.4Å
363	Y	96.8	Very high	96.5	Very high	61 Å²	61	51.8 Å²	51.8	24%	0.239	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	139	177.3	170.5	-96.6	0	0	0	112.3	A342 H343 Y344 D361 G365 G368 N369	A342-Y363 HydrophobicContact CB-CE2 3.82Å; H343-Y363 CarbonylContact O-C 3.58Å; H343-Y363 VanDerWaalsContact O-CA 3.28Å; H343-Y363 WeakPolarHBondContact O-CA 3.1Å; Y344-Y363 HydrophobicContact CD1-CD2 4.17Å; Y344-Y363 AromaticContact CE1-CD2 3.6Å; Y344-Y363 HydrophobicContact CE1-CD2 3.6Å; Y344-Y363 HydrophobicContact CE1-CG 4.15Å; Y344-Y363 HydrophobicContact CE2-CD2 4.19Å; Y344-Y363 AromaticContact CZ-CD2 3.59Å; D361-Y363 PolarHBondContact O-N 3.45Å; Y363-G365 PolarHBondContact OH-O 3.35Å; Y363-G365 VanDerWaalsContact OH-O 3.05Å; Y363-G368 VanDerWaalsContact OH-CA 3.3Å; Y363-G368 WeakPolarHBondContact OH-CA 3.39Å; Y363-G368 PolarHBondContact OH-N 3.34Å; Y363-N369 HydrophobicContact CD1-CB 3.62Å; Y363-N369 HydrophobicContact CD2-CB 4.07Å; Y363-N369 HydrophobicContact CE1-CB 3.77Å; Y363-N369 HydrophobicContact CE2-CB 4.17Å; Y363-N369 HydrophobicContact CG-CB 3.78Å
364	K	95.8	Very high	96.4	Very high	160 Å²	160	48 Å²	48	70%	0.696	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.7	135.7	168.2	-176.6	179	179	-177.2	0	108.8	H343	H343-K364 WeakPolarHBondContact CA-O 3.43Å; H343-K364 WeakPolarHBondContact CB-O 3.42Å; H343-K364 PolarHBondContact N-O 2.71Å; H343-K364 PolarHBondContact O-N 2.93Å
365	G	94.6	Very high	96.4	Very high	33 Å²	33	44.3 Å²	44.3	34%	0.34	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	158.8	177.6	176.4	0	0	0	0	0	114.6	K341 Y363	K341-G365 CarbonylContact O-C 3.41Å; K341-G365 VanDerWaalsContact O-CA 3.26Å; K341-G365 WeakPolarHBondContact O-CA 3.29Å; Y363-G365 PolarHBondContact OH-O 3.35Å; Y363-G365 VanDerWaalsContact OH-O 3.05Å
366	T	96.3	Very high	96.2	Very high	97 Å²	97	43.7 Å²	43.7	60%	0.595	24%	0.239	S	C	*	.	S	Bend	trans	-103.8	-12.3	-178.7	53	0	0	0	0	113.3	K341 G368	K341-T366 PolarHBondContact N-OG1 3.34Å; K341-T366 PolarHBondContact O-N 2.96Å; T366-G368 VanDerWaalsContact C-N 3.3Å; T366-G368 PolarHBondContact O-N 3.36Å
367	A	94.6	Very high	95.9	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.263	C	S	.	.	S	Bend	trans	-77.2	-14.8	-178.8	0	0	0	0	0	113.7	M332 V340 K341 A342 W455	M332-A367 HydrophobicContact CE-CB 3.88Å; M332-A367 HydrophobicContact SD-CB 4.14Å; V340-A367 HydrophobicContact CB-CB 3.94Å; V340-A367 HydrophobicContact CG2-CB 3.55Å; K341-A367 PolarHBondContact O-N 2.89Å; K341-A367 VanDerWaalsContact O-N 3.08Å; A342-A367 HydrophobicContact CB-CB 4.13Å; A367-W455 PolarHBondContact O-NE1 3.43Å
368	G	94.9	Very high	95.7	Very high	23 Å²	23	47.9 Å²	47.9	24%	0.237	26%	0.26	C	S	.	.			trans	85.2	144.9	-172.2	0	0	0	0	0	112.3	Y363 T366 A370 W455	Y363-G368 VanDerWaalsContact OH-CA 3.3Å; Y363-G368 WeakPolarHBondContact OH-CA 3.39Å; Y363-G368 PolarHBondContact OH-N 3.34Å; T366-G368 VanDerWaalsContact C-N 3.3Å; T366-G368 PolarHBondContact O-N 3.36Å; G368-A370 VanDerWaalsContact C-N 3.31Å; G368-A370 PolarHBondContact O-N 2.91Å; G368-W455 WeakPolarHBondContact O-CZ2 3.21Å; G368-W455 PolarHBondContact O-NE1 3.21Å; G368-W455 VanDerWaalsContact O-NE1 3.12Å
369	N	95.8	Very high	95.6	Very high	16 Å²	16	54.8 Å²	54.8	9%	0.086	29%	0.294	C	S	.	.			trans	-80.5	68.1	-170.6	-171.1	6.3	0	0	0	113	Y344 Y363 L371 M372 D373	Y344-N369 WeakPolarHBondContact CE1-OD1 3.39Å; Y344-N369 PolarHBondContact OH-OD1 3.49Å; Y363-N369 HydrophobicContact CD1-CB 3.62Å; Y363-N369 HydrophobicContact CD2-CB 4.07Å; Y363-N369 HydrophobicContact CE1-CB 3.77Å; Y363-N369 HydrophobicContact CE2-CB 4.17Å; Y363-N369 HydrophobicContact CG-CB 3.78Å; N369-L371 VanDerWaalsContact C-N 3.31Å; N369-L371 PolarHBondContact O-N 3.23Å; N369-M372 WeakPolarHBondContact OD1-CB 3.44Å; N369-M372 PolarHBondContact OD1-N 2.89Å; N369-D373 HydrophobicContact CB-CB 4.29Å; N369-D373 VanDerWaalsContact CB-OD2 3.31Å; N369-D373 WeakPolarHBondContact CB-OD2 3.44Å; N369-D373 PolarHBondContact ND2-OD1 3.49Å; N369-D373 PolarHBondContact ND2-OD2 2.96Å; N369-D373 WeakPolarHBondContact O-CB 3.4Å; N369-D373 PolarHBondContact O-N 3.35Å
370	A	96.3	Very high	95.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-31.3	-177.3	0	0	0	0	0	112.9	G368 G374 A427 A428 W455 N457	G368-A370 VanDerWaalsContact C-N 3.31Å; G368-A370 PolarHBondContact O-N 2.91Å; A370-G374 PolarHBondContact O-N 3.31Å; A370-A427 HydrophobicContact CB-CB 4Å; A370-A428 HydrophobicContact CB-CB 4.02Å; A370-W455 HydrophobicContact CB-CD2 4.12Å; A370-W455 HydrophobicContact CB-CH2 4.12Å; A370-W455 HydrophobicContact CB-CZ2 3.56Å; A370-N457 VanDerWaalsContact CA-ND2 3.27Å; A370-N457 WeakPolarHBondContact CA-ND2 3.38Å; A370-N457 PolarHBondContact N-ND2 3.21Å
371	L	96.6	Very high	95.2	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-74.8	-38.2	-174.9	-58.3	-174.6	0	0	0	113.1	I330 Y344 V360 N369 H388 N389 W420 W455	I330-L371 HydrophobicContact CD1-CD1 4.09Å; Y344-L371 HydrophobicContact CD2-CD1 4.21Å; Y344-L371 HydrophobicContact CE1-CB 4.03Å; Y344-L371 HydrophobicContact CE1-CD1 4.29Å; Y344-L371 HydrophobicContact CE1-CG 4.46Å; Y344-L371 HydrophobicContact CE2-CD1 3.57Å; Y344-L371 HydrophobicContact CE2-CG 4.11Å; Y344-L371 WeakPolarHBondContact OH-CB 3.48Å; Y344-L371 WeakPolarHBondContact OH-CG 3.3Å; Y344-L371 PolarHBondContact OH-N 2.82Å; V360-L371 HydrophobicContact CG1-CD1 4.19Å; V360-L371 HydrophobicContact CG2-CB 3.88Å; V360-L371 HydrophobicContact CG2-CD1 4.42Å; N369-L371 VanDerWaalsContact C-N 3.31Å; N369-L371 PolarHBondContact O-N 3.23Å; L371-H388 HydrophobicContact CB-CB 4.35Å; L371-H388 HydrophobicContact CD2-CB 3.88Å; L371-H388 PolarHBondContact O-N 3.23Å; L371-N389 PolarHBondContact O-N 3.48Å; L371-W420 HydrophobicContact CD2-CZ2 4.25Å; L371-W455 HydrophobicContact CD2-CH2 4.38Å; L371-W455 HydrophobicContact CG-CH2 4.16Å
372	M	97.2	Very high	95.1	Very high	50 Å²	50	62 Å²	62	25%	0.246	34%	0.338	C	S	.	.	H	α-helix	trans	-100	-36.7	-178	-54.8	174.6	69.4	0	0	113.5	Y344 V360 N369 I387 N389	Y344-M372 HydrophobicContact CD1-SD 4.35Å; Y344-M372 HydrophobicContact CE1-CG 4.17Å; Y344-M372 HydrophobicContact CE1-SD 4.29Å; V360-M372 HydrophobicContact CG2-CG 3.71Å; N369-M372 WeakPolarHBondContact OD1-CB 3.44Å; N369-M372 PolarHBondContact OD1-N 2.89Å; M372-I387 WeakPolarHBondContact O-CD1 3.3Å; M372-I387 WeakPolarHBondContact O-CG2 3.42Å; M372-N389 HydrophobicContact CG-CB 4.34Å
373	D	95.9	Very high	95.1	Very high	76 Å²	76	60 Å²	60	41%	0.406	33%	0.326	S	S	.	.	H	α-helix	trans	-102.4	-3.9	-172	-57.1	-27	0	0	0	113.1	N369 R383	N369-D373 HydrophobicContact CB-CB 4.29Å; N369-D373 VanDerWaalsContact CB-OD2 3.31Å; N369-D373 WeakPolarHBondContact CB-OD2 3.44Å; N369-D373 PolarHBondContact ND2-OD1 3.49Å; N369-D373 PolarHBondContact ND2-OD2 2.96Å; N369-D373 WeakPolarHBondContact O-CB 3.4Å; N369-D373 PolarHBondContact O-N 3.35Å; D373-R383 WeakPolarHBondContact O-CG 3.3Å; D373-R383 PolarHBondContact O-NE 2.85Å; D373-R383 PolarHBondContact O-NH2 3.4Å
374	G	95.5	Very high	95	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.338	C	S	.	.			trans	71.6	-164.7	-179.3	0	0	0	0	0	113.3	A370 S376 N457	A370-G374 PolarHBondContact O-N 3.31Å; G374-S376 PolarHBondContact O-N 2.9Å; G374-N457 PolarHBondContact O-ND2 3.46Å; G374-N457 PolarHBondContact O-OD1 2.89Å
375	A	96.3	Very high	95	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.312	C	S	.	.			trans	-72.1	119.2	-177.9	0	0	0	0	0	112.4	Q377 L378 R383 T386 A427 M456 N457	A375-Q377 VanDerWaalsContact C-N 3.25Å; A375-Q377 PolarHBondContact O-N 3.46Å; A375-L378 HydrophobicContact CB-CB 4.24Å; A375-L378 HydrophobicContact CB-CD1 3.82Å; A375-L378 HydrophobicContact CB-CG 3.85Å; A375-L378 PolarHBondContact O-N 3.34Å; A375-L378 VanDerWaalsContact O-N 3.12Å; A375-R383 WeakPolarHBondContact O-CG 3.37Å; A375-T386 PolarHBondContact N-OG1 3.24Å; A375-T386 VanDerWaalsContact N-OG1 3.11Å; A375-A427 HydrophobicContact CB-CB 4.16Å; A375-M456 HydrophobicContact CB-CB 4.32Å; A375-M456 HydrophobicContact CB-CE 3.62Å; A375-M456 HydrophobicContact CB-SD 3.9Å; A375-N457 VanDerWaalsContact CA-OD1 3.28Å; A375-N457 WeakPolarHBondContact CA-OD1 3.44Å
376	S	94.1	Very high	95.1	Very high	66 Å²	66	53.5 Å²	53.5	46%	0.462	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.2	-176.5	60.6	0	0	0	0	113.8	G374 L378 N457	G374-S376 PolarHBondContact O-N 2.9Å; S376-L378 VanDerWaalsContact C-N 3.35Å; S376-N457 PolarHBondContact N-OD1 3Å; S376-N457 PolarHBondContact OG-OD1 2.77Å
377	Q	92.9	Very high	95.1	Very high	104 Å²	104	50.8 Å²	50.8	49%	0.486	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.9	177.1	62.2	-174.7	-1	0	0	113.8	A375 M456	A375-Q377 VanDerWaalsContact C-N 3.25Å; A375-Q377 PolarHBondContact O-N 3.46Å; Q377-M456 HydrophobicContact CG-CE 4.37Å
378	L	94.1	Very high	95.3	Very high	53 Å²	53	50.8 Å²	50.8	28%	0.277	28%	0.279	S	S	.	.			trans	-97.4	157	177.5	-58.3	-177.5	0	0	0	110.3	A375 S376 N382 R383 T386 M456	A375-L378 HydrophobicContact CB-CB 4.24Å; A375-L378 HydrophobicContact CB-CD1 3.82Å; A375-L378 HydrophobicContact CB-CG 3.85Å; A375-L378 PolarHBondContact O-N 3.34Å; A375-L378 VanDerWaalsContact O-N 3.12Å; S376-L378 VanDerWaalsContact C-N 3.35Å; L378-N382 HydrophobicContact CB-CB 4.13Å; L378-N382 HydrophobicContact CD1-CB 4.3Å; L378-N382 WeakPolarHBondContact CD1-O 3.42Å; L378-R383 HydrophobicContact CB-CB 4.13Å; L378-R383 WeakPolarHBondContact O-CD 3.26Å; L378-T386 HydrophobicContact CD1-CG2 4.08Å; L378-M456 HydrophobicContact CD1-CE 4.19Å; L378-M456 HydrophobicContact CG-CE 4.49Å
379	M	94.2	Very high	95.4	Very high	150 Å²	150	52.2 Å²	52.2	74%	0.739	28%	0.282	S	S	*	.			trans	-128.6	152.6	-178.6	-63.6	-66.9	-81.2	0	0	111.1	E381 N382	M379-E381 PolarHBondContact O-N 3.41Å; M379-N382 PolarHBondContact O-N 3.11Å
380	G	95	Very high	95.5	Very high	57 Å²	57	52.9 Å²	52.9	59%	0.588	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-133.6	175.9	0	0	0	0	0	113.2	N382 R383 T384	G380-N382 VanDerWaalsContact C-N 3.28Å; G380-N382 PolarHBondContact O-N 2.95Å; G380-R383 PolarHBondContact O-N 3.34Å; G380-R383 VanDerWaalsContact O-N 3.16Å; G380-T384 PolarHBondContact O-N 3.37Å; G380-T384 PolarHBondContact O-OG1 3.03Å
381	E	93.3	Very high	95.5	Very high	129 Å²	129	54.3 Å²	54.3	60%	0.603	30%	0.299	S	S	*	.	H	α-helix	trans	-56.5	-41.3	-178.4	-162.2	-167.8	152.8	0	0	112.2	M379 R383 T384 M385 R424	M379-E381 PolarHBondContact O-N 3.41Å; E381-R383 PolarHBondContact O-N 2.9Å; E381-T384 WeakPolarHBondContact CA-OG1 3.38Å; E381-T384 PolarHBondContact O-N 3.44Å; E381-T384 VanDerWaalsContact O-N 3.15Å; E381-T384 PolarHBondContact O-OG1 2.91Å; E381-M385 HydrophobicContact CB-CE 4.1Å; E381-M385 HydrophobicContact CG-CE 3.58Å; E381-M385 WeakPolarHBondContact O-CB 3.45Å; E381-M385 WeakPolarHBondContact O-CE 3.39Å; E381-M385 VanDerWaalsContact O-CG 3.32Å; E381-M385 WeakPolarHBondContact O-CG 3.46Å; E381-M385 PolarHBondContact O-N 3.32Å; E381-R424 IonicContact OE1-NH1 2.82Å
382	N	93	Very high	95.6	Very high	90 Å²	90	57.3 Å²	57.3	48%	0.481	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-31.9	-178.4	-68	-18.9	0	0	0	112.4	L378 M379 G380 M385	L378-N382 HydrophobicContact CB-CB 4.13Å; L378-N382 HydrophobicContact CD1-CB 4.3Å; L378-N382 WeakPolarHBondContact CD1-O 3.42Å; M379-N382 PolarHBondContact O-N 3.11Å; G380-N382 VanDerWaalsContact C-N 3.28Å; G380-N382 PolarHBondContact O-N 2.95Å; N382-M385 VanDerWaalsContact O-CG 3.31Å; N382-M385 WeakPolarHBondContact O-CG 3.27Å; N382-M385 WeakPolarHBondContact OD1-CE 3.35Å
383	R	94.6	Very high	95.7	Very high	87 Å²	87	55 Å²	55	33%	0.328	30%	0.301	S	S	.	.	H	α-helix	trans	-74.3	-49.2	173.9	-177.4	170.5	176.4	-172.6	1.3	111	D373 A375 L378 G380 E381 M385 T386	D373-R383 WeakPolarHBondContact O-CG 3.3Å; D373-R383 PolarHBondContact O-NE 2.85Å; D373-R383 PolarHBondContact O-NH2 3.4Å; A375-R383 WeakPolarHBondContact O-CG 3.37Å; L378-R383 HydrophobicContact CB-CB 4.13Å; L378-R383 WeakPolarHBondContact O-CD 3.26Å; G380-R383 PolarHBondContact O-N 3.34Å; G380-R383 VanDerWaalsContact O-N 3.16Å; E381-R383 PolarHBondContact O-N 2.9Å; R383-M385 VanDerWaalsContact C-N 3.25Å; R383-M385 PolarHBondContact O-N 3.49Å; R383-T386 PolarHBondContact O-N 3.11Å; R383-T386 VanDerWaalsContact O-N 3.15Å; R383-T386 PolarHBondContact O-OG1 3.41Å
384	T	94.8	Very high	95.8	Very high	80 Å²	80	51.4 Å²	51.4	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-29.8	-175.7	50.7	0	0	0	0	113.3	G380 E381 T386 I387	G380-T384 PolarHBondContact O-N 3.37Å; G380-T384 PolarHBondContact O-OG1 3.03Å; E381-T384 WeakPolarHBondContact CA-OG1 3.38Å; E381-T384 PolarHBondContact O-N 3.44Å; E381-T384 VanDerWaalsContact O-N 3.15Å; E381-T384 PolarHBondContact O-OG1 2.91Å; T384-T386 PolarHBondContact O-N 3.25Å; T384-I387 HydrophobicContact CG2-CD1 4.41Å; T384-I387 PolarHBondContact O-N 3.35Å
385	M	94.9	Very high	95.9	Very high	29 Å²	29	51.4 Å²	51.4	14%	0.143	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.2	179.3	72.9	177	59.7	0	0	114	E381 N382 R383 N423 R424	E381-M385 HydrophobicContact CB-CE 4.1Å; E381-M385 HydrophobicContact CG-CE 3.58Å; E381-M385 WeakPolarHBondContact O-CB 3.45Å; E381-M385 WeakPolarHBondContact O-CE 3.39Å; E381-M385 VanDerWaalsContact O-CG 3.32Å; E381-M385 WeakPolarHBondContact O-CG 3.46Å; E381-M385 PolarHBondContact O-N 3.32Å; N382-M385 VanDerWaalsContact O-CG 3.31Å; N382-M385 WeakPolarHBondContact O-CG 3.27Å; N382-M385 WeakPolarHBondContact OD1-CE 3.35Å; R383-M385 VanDerWaalsContact C-N 3.25Å; R383-M385 PolarHBondContact O-N 3.49Å; M385-N423 VanDerWaalsContact O-CB 3.29Å; M385-N423 WeakPolarHBondContact O-CB 3.35Å; M385-N423 PolarHBondContact O-ND2 3.33Å; M385-R424 HydrophobicContact CB-CB 3.73Å; M385-R424 HydrophobicContact CG-CB 4.04Å; M385-R424 WeakPolarHBondContact O-CA 3.36Å; M385-R424 WeakPolarHBondContact O-CB 3.36Å; M385-R424 PolarHBondContact O-N 3.41Å; M385-R424 HydrophobicContact SD-CB 4.23Å; M385-R424 VanDerWaalsContact SD-CD 3.59Å; M385-R424 HydrophobicContact SD-CG 4.07Å
386	T	96.3	Very high	95.8	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.055	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	5.2	177.1	60.9	0	0	0	0	113.3	A375 L378 R383 T384 H426 A427	A375-T386 PolarHBondContact N-OG1 3.24Å; A375-T386 VanDerWaalsContact N-OG1 3.11Å; L378-T386 HydrophobicContact CD1-CG2 4.08Å; R383-T386 PolarHBondContact O-N 3.11Å; R383-T386 VanDerWaalsContact O-N 3.15Å; R383-T386 PolarHBondContact O-OG1 3.41Å; T384-T386 PolarHBondContact O-N 3.25Å; T386-H426 WeakPolarHBondContact CG2-O 3.25Å; T386-A427 WeakPolarHBondContact O-CB 3.12Å; T386-A427 PolarHBondContact O-N 3.43Å
387	I	97.7	Very high	95.9	Very high	40 Å²	40	55.9 Å²	55.9	21%	0.205	30%	0.295	C	S	.	.			trans	-73	133.6	177.6	-66.4	171.7	0	0	0	109.8	M372 T384 N389 M391 N423	M372-I387 WeakPolarHBondContact O-CD1 3.3Å; M372-I387 WeakPolarHBondContact O-CG2 3.42Å; T384-I387 HydrophobicContact CG2-CD1 4.41Å; T384-I387 PolarHBondContact O-N 3.35Å; I387-N389 HydrophobicContact CG2-CB 4.15Å; I387-M391 VanDerWaalsContact O-CG 3.31Å; I387-M391 WeakPolarHBondContact O-CG 3.49Å; I387-N423 WeakPolarHBondContact O-CB 3.47Å; I387-N423 PolarHBondContact O-ND2 3.34Å; I387-N423 VanDerWaalsContact O-ND2 3.08Å
388	H	97.8	Very high	96.1	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.286	C	S	.	.			trans	-95.1	-23.9	-178.6	-62.7	-74.1	0	0	0	113.6	V358 L371 G390 M391 W420 W421 H426 A427 A428	V358-H388 WeakPolarHBondContact CG1-O 3.3Å; L371-H388 HydrophobicContact CB-CB 4.35Å; L371-H388 HydrophobicContact CD2-CB 3.88Å; L371-H388 PolarHBondContact O-N 3.23Å; H388-G390 PolarHBondContact O-N 3.19Å; H388-M391 VanDerWaalsContact O-CB 3.26Å; H388-M391 WeakPolarHBondContact O-CB 3.47Å; H388-M391 VanDerWaalsContact O-CG 3.29Å; H388-M391 WeakPolarHBondContact O-CG 3.18Å; H388-M391 PolarHBondContact O-N 3.24Å; H388-W420 AromaticContact CE1-CD1 3.64Å; H388-W420 AromaticContact CE1-NE1 3.24Å; H388-W420 PolarHBondContact CE1-NE1 3.42Å; H388-W420 AromaticContact ND1-CD1 3.8Å; H388-W420 AromaticContact ND1-NE1 3.38Å; H388-W420 PolarHBondContact ND1-NE1 3.17Å; H388-W420 AromaticContact NE2-NE1 3.91Å; H388-W421 PolarHBondContact ND1-O 2.98Å; H388-H426 VanDerWaalsContact CE1-CA 3.48Å; H388-H426 WeakPolarHBondContact CE1-CA 3.21Å; H388-H426 VanDerWaalsContact CE1-CB 3.45Å; H388-H426 WeakPolarHBondContact CE1-CB 3.3Å; H388-A427 PolarHBondContact NE2-N 3.07Å; H388-A428 PolarHBondContact CE1-O 3.25Å; H388-A428 PolarHBondContact NE2-N 3.02Å; H388-A428 PolarHBondContact NE2-O 3.28Å
389	N	97.9	Very high	96.2	Very high	53 Å²	53	55.3 Å²	55.3	28%	0.283	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	123.5	-178.3	-167.2	21.2	0	0	0	111.1	S359 V360 L371 M372 I387	S359-N389 WeakPolarHBondContact CA-OD1 3.24Å; V360-N389 HydrophobicContact CG2-CB 3.96Å; V360-N389 PolarHBondContact N-OD1 2.95Å; V360-N389 PolarHBondContact O-ND2 3.33Å; V360-N389 VanDerWaalsContact O-ND2 3.12Å; V360-N389 PolarHBondContact O-OD1 2.9Å; L371-N389 PolarHBondContact O-N 3.48Å; M372-N389 HydrophobicContact CG-CB 4.34Å; I387-N389 HydrophobicContact CG2-CB 4.15Å
390	G	96.7	Very high	96.3	Very high	30 Å²	30	49.2 Å²	49.2	31%	0.309	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-1.7	-176.2	0	0	0	0	0	114.9	Q357 V358 H388	Q357-G390 WeakPolarHBondContact CG-O 3.34Å; Q357-G390 PolarHBondContact NE2-O 2.98Å; V358-G390 WeakPolarHBondContact O-CA 3.43Å; V358-G390 PolarHBondContact O-N 3.41Å; H388-G390 PolarHBondContact O-N 3.19Å
391	M	97.9	Very high	96.2	Very high	30 Å²	30	47.2 Å²	47.2	15%	0.148	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-80.1	152.6	-176.9	-61.4	-52.8	-47.3	0	0	113.1	Q357 V358 I387 H388 W421 Y422 N423	Q357-M391 WeakPolarHBondContact CA-O 3.19Å; V358-M391 PolarHBondContact N-O 3.07Å; V358-M391 VanDerWaalsContact N-O 3.12Å; I387-M391 VanDerWaalsContact O-CG 3.31Å; I387-M391 WeakPolarHBondContact O-CG 3.49Å; H388-M391 VanDerWaalsContact O-CB 3.26Å; H388-M391 WeakPolarHBondContact O-CB 3.47Å; H388-M391 VanDerWaalsContact O-CG 3.29Å; H388-M391 WeakPolarHBondContact O-CG 3.18Å; H388-M391 PolarHBondContact O-N 3.24Å; M391-W421 HydrophobicContact CB-CB 4.19Å; M391-Y422 WeakPolarHBondContact CE-O 3.49Å; M391-N423 HydrophobicContact CE-CB 3.79Å; M391-N423 HydrophobicContact CG-CB 3.83Å; M391-N423 HydrophobicContact SD-CB 3.7Å
392	F	98.4	Very high	96.2	Very high	70 Å²	70	42.4 Å²	42.4	31%	0.307	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-82.1	156.1	173	-60.7	-56.4	0	0	0	111.2	N354 K355 Q357 N400 W421	N354-F392 WeakPolarHBondContact O-CD1 3.43Å; K355-F392 HydrophobicContact CB-CB 3.99Å; K355-F392 HydrophobicContact CB-CD1 3.81Å; K355-F392 HydrophobicContact CB-CG 4.08Å; K355-F392 HydrophobicContact CD-CB 4.27Å; K355-F392 HydrophobicContact CD-CD1 3.9Å; K355-F392 HydrophobicContact CD-CD2 4.1Å; K355-F392 HydrophobicContact CD-CE1 4.26Å; K355-F392 HydrophobicContact CD-CE2 4.44Å; K355-F392 HydrophobicContact CD-CG 3.82Å; K355-F392 HydrophobicContact CG-CD1 4.47Å; Q357-F392 HydrophobicContact CB-CD1 3.82Å; Q357-F392 HydrophobicContact CB-CE1 3.96Å; Q357-F392 HydrophobicContact CG-CD1 4.07Å; Q357-F392 HydrophobicContact CG-CE1 4.04Å; F392-N400 HydrophobicContact CB-CB 3.7Å; F392-N400 HydrophobicContact CG-CB 4.47Å; F392-W421 WeakPolarHBondContact O-CA 3.32Å
393	F	98.4	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-79.3	139	173.5	-159.4	-92.8	0	0	0	110.1	W284 Y287 W311 N314 K355 Y356 T395 N400 G419 W420 W421	W284-F393 HydrophobicContact CE3-CD1 4.41Å; W284-F393 HydrophobicContact CH2-CB 4.21Å; W284-F393 HydrophobicContact CH2-CD1 4.33Å; W284-F393 HydrophobicContact CZ3-CB 4.29Å; W284-F393 AromaticContact CZ3-CD1 3.87Å; W284-F393 HydrophobicContact CZ3-CD1 3.87Å; W284-F393 VanDerWaalsContact CZ3-O 3.27Å; W284-F393 WeakPolarHBondContact CZ3-O 3.32Å; Y287-F393 AromaticContact CD1-CE1 3.81Å; Y287-F393 HydrophobicContact CD1-CE1 3.81Å; Y287-F393 AromaticContact CD1-CZ 3.44Å; Y287-F393 HydrophobicContact CD1-CZ 3.44Å; Y287-F393 VanDerWaalsContact CD1-CZ 3.44Å; Y287-F393 HydrophobicContact CD2-CE1 4.41Å; Y287-F393 HydrophobicContact CE1-CE1 4.49Å; Y287-F393 AromaticContact CE1-CZ 3.87Å; Y287-F393 HydrophobicContact CE1-CZ 3.87Å; Y287-F393 AromaticContact CG-CE1 3.75Å; Y287-F393 HydrophobicContact CG-CE1 3.75Å; Y287-F393 AromaticContact CG-CZ 3.9Å; Y287-F393 HydrophobicContact CG-CZ 3.9Å; W311-F393 HydrophobicContact CH2-CE2 4.45Å; W311-F393 HydrophobicContact CZ2-CE2 4.1Å; W311-F393 HydrophobicContact CZ2-CZ 4.36Å; N314-F393 WeakPolarHBondContact ND2-CD1 3.42Å; N314-F393 WeakPolarHBondContact ND2-CE1 3.34Å; K355-F393 WeakPolarHBondContact O-CB 3.16Å; K355-F393 PolarHBondContact O-N 3.33Å; Y356-F393 HydrophobicContact CD2-CB 4.49Å; F393-T395 HydrophobicContact CD1-CG2 4.25Å; F393-T395 HydrophobicContact CE1-CG2 3.79Å; F393-N400 PolarHBondContact O-ND2 2.92Å; F393-G419 WeakPolarHBondContact CZ-O 3.43Å; F393-W420 WeakPolarHBondContact CA-O 3.38Å; F393-W421 AromaticContact CD2-CD1 3.92Å; F393-W421 HydrophobicContact CD2-CD2 4.21Å; F393-W421 AromaticContact CD2-CE2 3.9Å; F393-W421 HydrophobicContact CD2-CG 4.22Å; F393-W421 HydrophobicContact CD2-CZ2 4.48Å; F393-W421 AromaticContact CD2-NE1 3.69Å
394	S	97.6	Very high	95.7	Very high	1 Å²	1	45 Å²	45	1%	0.007	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-132.9	145.2	178.5	-61.2	0	0	0	0	110.5	R398 N400 D401 G419 W420	S394-R398 WeakPolarHBondContact CA-O 3.42Å; S394-N400 WeakPolarHBondContact OG-CA 3.39Å; S394-N400 PolarHBondContact OG-N 3.27Å; S394-D401 PolarHBondContact OG-N 3.47Å; S394-D401 VanDerWaalsContact OG-N 3.07Å; S394-G419 VanDerWaalsContact O-CA 3.23Å; S394-G419 WeakPolarHBondContact O-CA 3.44Å; S394-W420 PolarHBondContact N-O 2.94Å; S394-W420 PolarHBondContact O-N 2.74Å; S394-W420 VanDerWaalsContact O-N 3.11Å
395	T	97.6	Very high	95.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-128.4	167.6	172	55.9	0	0	0	0	109.2	W284 Y287 F393 D397 R398 S413	W284-T395 WeakPolarHBondContact CA-OG1 2.98Å; W284-T395 HydrophobicContact CE3-CG2 4.07Å; W284-T395 PolarHBondContact N-OG1 2.87Å; Y287-T395 HydrophobicContact CD2-CG2 3.61Å; Y287-T395 HydrophobicContact CE2-CG2 4.31Å; Y287-T395 HydrophobicContact CG-CG2 4.11Å; F393-T395 HydrophobicContact CD1-CG2 4.25Å; F393-T395 HydrophobicContact CE1-CG2 3.79Å; T395-D397 VanDerWaalsContact CB-OD1 3.3Å; T395-D397 WeakPolarHBondContact CB-OD1 3.44Å; T395-D397 PolarHBondContact O-N 3.43Å; T395-D397 PolarHBondContact OG1-OD1 2.87Å; T395-R398 PolarHBondContact N-O 2.97Å; T395-R398 CarbonylContact O-C 3.16Å; T395-R398 VanDerWaalsContact O-C 3.26Å; T395-R398 PolarHBondContact O-N 3.32Å; T395-S413 VanDerWaalsContact C-CB 3.47Å; T395-S413 WeakPolarHBondContact CA-OG 3.26Å
396	Y	95.6	Very high	94.8	Very high	83 Å²	83	50.1 Å²	50.1	33%	0.325	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.1	-170.6	70.3	-105.7	0	0	0	113.7	G281 R282 Q283 S413 R414	G281-Y396 WeakPolarHBondContact O-CE1 3.31Å; R282-Y396 WeakPolarHBondContact O-CD1 3.05Å; Q283-Y396 HydrophobicContact CG-CE1 3.86Å; Q283-Y396 HydrophobicContact CG-CE2 3.9Å; Q283-Y396 WeakPolarHBondContact CG-OH 3.42Å; Q283-Y396 PolarHBondContact NE2-OH 3.47Å; Y396-S413 PolarHBondContact N-OG 2.83Å; Y396-R414 PolarHBondContact O-NE 2.99Å; Y396-R414 PolarHBondContact O-NH2 3.43Å
397	D	96.4	Very high	94.5	Very high	76 Å²	76	53 Å²	53	41%	0.406	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-7.8	174.9	66.1	-46.4	0	0	0	113.4	Q283 W284 T395	Q283-D397 VanDerWaalsContact CA-OD1 3.25Å; Q283-D397 WeakPolarHBondContact CA-OD1 3.27Å; Q283-D397 HydrophobicContact CG-CB 4.44Å; W284-D397 PolarHBondContact N-OD1 2.99Å; W284-D397 PolarHBondContact N-OD2 3.36Å; T395-D397 VanDerWaalsContact CB-OD1 3.3Å; T395-D397 WeakPolarHBondContact CB-OD1 3.44Å; T395-D397 PolarHBondContact O-N 3.43Å; T395-D397 PolarHBondContact OG1-OD1 2.87Å
398	R	95.8	Very high	93.9	Very high	81 Å²	81	54.8 Å²	54.8	31%	0.306	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-142.6	100.4	-176.4	-170.2	140	117.1	175.3	8.3	111.9	W284 E352 S394 T395	W284-R398 HydrophobicContact CB-CB 4.29Å; W284-R398 HydrophobicContact CD2-CB 4.36Å; W284-R398 HydrophobicContact CD2-CG 4.3Å; W284-R398 VanDerWaalsContact CD2-CZ 3.42Å; W284-R398 HydrophobicContact CE3-CB 3.8Å; W284-R398 HydrophobicContact CE3-CG 3.82Å; W284-R398 VanDerWaalsContact CE3-NE 3.33Å; W284-R398 VanDerWaalsContact CZ2-CZ 3.47Å; W284-R398 HydrophobicContact CZ3-CB 4.48Å; W284-R398 HydrophobicContact CZ3-CG 4.16Å; E352-R398 IonicContact OE1-CZ 3.96Å; E352-R398 IonicContact OE1-NH1 3.43Å; E352-R398 IonicContact OE1-NH2 3.52Å; E352-R398 PolarHBondContact OE1-NH2 2.94Å; S394-R398 WeakPolarHBondContact CA-O 3.42Å; T395-R398 PolarHBondContact N-O 2.97Å; T395-R398 CarbonylContact O-C 3.16Å; T395-R398 VanDerWaalsContact O-C 3.26Å; T395-R398 PolarHBondContact O-N 3.32Å
399	D	96.2	Very high	93.2	Very high	64 Å²	64	62.2 Å²	62.2	34%	0.342	33%	0.327	S	S	.	.			trans	-84.5	115.2	-179.4	-172.4	0.5	0	0	0	111.7	D401 Q411	D399-D401 VanDerWaalsContact OD1-CG 3.27Å; D399-D401 PolarHBondContact OD1-N 3.45Å; D399-Q411 HydrophobicContact CB-CG 4.49Å; D399-Q411 WeakPolarHBondContact OD2-CG 3.25Å; D399-Q411 PolarHBondContact OD2-NE2 2.87Å
400	N	95.8	Very high	92.8	Very high	22 Å²	22	64.3 Å²	64.3	12%	0.118	33%	0.333	C	S	.	.			trans	-133.2	22.4	166.7	-54.6	-72.1	0	0	0	110.4	K355 F392 F393 S394	K355-N400 HydrophobicContact CD-CB 4.24Å; K355-N400 WeakPolarHBondContact CD-OD1 3.35Å; K355-N400 PolarHBondContact NZ-OD1 3.33Å; F392-N400 HydrophobicContact CB-CB 3.7Å; F392-N400 HydrophobicContact CG-CB 4.47Å; F393-N400 PolarHBondContact O-ND2 2.92Å; S394-N400 WeakPolarHBondContact OG-CA 3.39Å; S394-N400 PolarHBondContact OG-N 3.27Å
401	D	94	Very high	92.7	Very high	15 Å²	15	64.2 Å²	64.2	8%	0.08	33%	0.325	C	S	.	.	S	Bend	trans	-77.9	169.4	-175.4	73.9	42.6	0	0	0	111.5	S394 D399 W403 C412 N423	S394-D401 PolarHBondContact OG-N 3.47Å; S394-D401 VanDerWaalsContact OG-N 3.07Å; D399-D401 VanDerWaalsContact OD1-CG 3.27Å; D399-D401 PolarHBondContact OD1-N 3.45Å; D401-W403 PolarHBondContact O-N 3.27Å; D401-W403 WeakPolarHBondContact OD1-CA 3.48Å; D401-W403 WeakPolarHBondContact OD1-CB 3.48Å; D401-W403 PolarHBondContact OD1-N 2.9Å; D401-C412 HydrophobicContact CB-CB 4.4Å; D401-C412 PolarHBondContact OD2-N 2.94Å; D401-N423 WeakPolarHBondContact CB-O 3.47Å
402	G	91.9	Very high	92.6	Very high	29 Å²	29	62.8 Å²	62.8	30%	0.299	32%	0.318	S	S	.	.	S	Bend	trans	-81	1.1	-179.7	0	0	0	0	0	113.5	L404 N423	G402-L404 PolarHBondContact O-N 2.89Å; G402-N423 WeakPolarHBondContact CA-O 3.43Å; G402-N423 VanDerWaalsContact N-C 3.32Å; G402-N423 PolarHBondContact N-O 3.49Å
403	W	89.8	Confident	92.5	Very high	55 Å²	55	59.6 Å²	59.6	21%	0.208	30%	0.304	C	S	.	.			trans	-90.4	91	-179.4	-164.2	-5.7	0	0	0	110.4	D401 A405 K410 E415 R424	D401-W403 PolarHBondContact O-N 3.27Å; D401-W403 WeakPolarHBondContact OD1-CA 3.48Å; D401-W403 WeakPolarHBondContact OD1-CB 3.48Å; D401-W403 PolarHBondContact OD1-N 2.9Å; W403-A405 HydrophobicContact CG-CB 4.5Å; W403-A405 PolarHBondContact O-N 3.41Å; W403-K410 HydrophobicContact CD2-CB 4.48Å; W403-K410 HydrophobicContact CH2-CB 4.07Å; W403-K410 HydrophobicContact CH2-CG 4.28Å; W403-K410 HydrophobicContact CZ2-CB 3.94Å; W403-K410 HydrophobicContact CZ2-CD 4.01Å; W403-K410 HydrophobicContact CZ2-CG 4.14Å; W403-K410 HydrophobicContact CZ3-CB 4.39Å; W403-E415 WeakPolarHBondContact CZ3-OE2 3.33Å; W403-R424 HydrophobicContact CB-CG 4.32Å; W403-R424 HydrophobicContact CG-CG 4.23Å
404	L	87.9	Confident	92.4	Very high	175 Å²	175	64.6 Å²	64.6	92%	0.916	32%	0.323	S	S	*	.			trans	-71.4	73.6	177	-58.8	175.7	0	0	0	111.6	G402	G402-L404 PolarHBondContact O-N 2.89Å
405	A	86.3	Confident	92.2	Very high	34 Å²	34	66.1 Å²	66.1	28%	0.281	33%	0.33	S	S	.	.			trans	-108.5	142.5	175.6	0	0	0	0	0	111.3	W403 D407 K410	W403-A405 HydrophobicContact CG-CB 4.5Å; W403-A405 PolarHBondContact O-N 3.41Å; A405-D407 VanDerWaalsContact C-N 3.33Å; A405-K410 HydrophobicContact CB-CB 3.69Å; A405-K410 HydrophobicContact CB-CD 4.25Å
406	L	85.9	Confident	92.1	Very high	184 Å²	184	66.1 Å²	66.1	96%	0.963	33%	0.33	S	S	*	.	S	Bend	trans	-81.2	-15.2	174	-66.9	172.4	0	0	0	112.9	P408	L406-P408 WeakPolarHBondContact O-CD 3.31Å
407	D	88.4	Confident	92	Very high	68 Å²	68	63 Å²	63	36%	0.364	32%	0.324	S	S	.	.	S	Bend	trans	-85.9	118.9	-179.1	-173.1	-15	0	0	0	110	A405 K409 K410	A405-D407 VanDerWaalsContact C-N 3.33Å; D407-K409 PolarHBondContact O-N 2.85Å; D407-K409 WeakPolarHBondContact OD1-CB 3.38Å; D407-K409 WeakPolarHBondContact OD1-CG 3.45Å; D407-K409 PolarHBondContact OD1-N 2.9Å; D407-K410 HydrophobicContact CB-CB 4.38Å; D407-K410 HydrophobicContact CB-CD 4.16Å; D407-K410 HydrophobicContact CB-CG 4.09Å; D407-K410 PolarHBondContact O-N 2.82Å
408	P	85.1	Confident	91.9	Very high	78 Å²	78	59.5 Å²	59.5	51%	0.506	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-10	177.6	-20.8	32.5	0	0	0	114.8	L406 R414	L406-P408 WeakPolarHBondContact O-CD 3.31Å; P408-R414 WeakPolarHBondContact O-CD 3.37Å; P408-R414 PolarHBondContact O-NH1 3.47Å
409	K	83.4	Confident	92	Very high	157 Å²	157	55.7 Å²	55.7	68%	0.683	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-27.9	172.9	-64.2	178.6	-179.7	178.3	0	112.5	D407 Q411	D407-K409 PolarHBondContact O-N 2.85Å; D407-K409 WeakPolarHBondContact OD1-CB 3.38Å; D407-K409 WeakPolarHBondContact OD1-CG 3.45Å; D407-K409 PolarHBondContact OD1-N 2.9Å; K409-Q411 VanDerWaalsContact C-N 3.35Å; K409-Q411 PolarHBondContact O-N 3.48Å; K409-Q411 VanDerWaalsContact O-N 3.16Å
410	K	90.3	Very high	92.1	Very high	97 Å²	97	52.6 Å²	52.6	42%	0.422	27%	0.274	S	S	.	.			trans	-90.7	70.6	-175.6	-66.4	-175.4	-179.9	-176.7	0	110.4	W403 A405 D407	W403-K410 HydrophobicContact CD2-CB 4.48Å; W403-K410 HydrophobicContact CH2-CB 4.07Å; W403-K410 HydrophobicContact CH2-CG 4.28Å; W403-K410 HydrophobicContact CZ2-CB 3.94Å; W403-K410 HydrophobicContact CZ2-CD 4.01Å; W403-K410 HydrophobicContact CZ2-CG 4.14Å; W403-K410 HydrophobicContact CZ3-CB 4.39Å; A405-K410 HydrophobicContact CB-CB 3.69Å; A405-K410 HydrophobicContact CB-CD 4.25Å; D407-K410 HydrophobicContact CB-CB 4.38Å; D407-K410 HydrophobicContact CB-CD 4.16Å; D407-K410 HydrophobicContact CB-CG 4.09Å; D407-K410 PolarHBondContact O-N 2.82Å
411	Q	94.4	Very high	92.2	Very high	28 Å²	28	51.8 Å²	51.8	13%	0.131	27%	0.269	C	S	.	.			trans	-132.7	132.5	177.7	-65.2	179.6	-19.7	0	0	108.2	D399 K409 S413 R414 E415	D399-Q411 HydrophobicContact CB-CG 4.49Å; D399-Q411 WeakPolarHBondContact OD2-CG 3.25Å; D399-Q411 PolarHBondContact OD2-NE2 2.87Å; K409-Q411 VanDerWaalsContact C-N 3.35Å; K409-Q411 PolarHBondContact O-N 3.48Å; K409-Q411 VanDerWaalsContact O-N 3.16Å; Q411-S413 VanDerWaalsContact C-N 3.34Å; Q411-S413 PolarHBondContact O-N 3.27Å; Q411-R414 HydrophobicContact CB-CB 4.28Å; Q411-R414 HydrophobicContact CB-CG 4.1Å; Q411-R414 WeakPolarHBondContact O-CB 3.39Å; Q411-R414 PolarHBondContact O-N 3.13Å; Q411-R414 VanDerWaalsContact OE1-CD 3.3Å; Q411-E415 PolarHBondContact O-N 2.74Å; Q411-E415 VanDerWaalsContact O-N 3.14Å
412	C	96.2	Very high	92.4	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-41.4	-171.2	-66.5	0	0	0	0	112.2	D401 R414 E415 D416 Y422 C425	D401-C412 HydrophobicContact CB-CB 4.4Å; D401-C412 PolarHBondContact OD2-N 2.94Å; C412-R414 PolarHBondContact O-N 2.83Å; C412-E415 PolarHBondContact O-N 3.44Å; C412-D416 VanDerWaalsContact O-CB 3.27Å; C412-D416 WeakPolarHBondContact O-CB 3.37Å; C412-D416 PolarHBondContact O-N 3.47Å; C412-Y422 HydrophobicContact CB-CD1 3.99Å; C412-Y422 HydrophobicContact CB-CD2 4.31Å; C412-Y422 HydrophobicContact CB-CG 3.77Å; C412-C425 VanDerWaalsContact CA-SG 3.53Å; C412-C425 HydrophobicContact CB-CB 3.77Å; C412-C425 WeakPolarHBondContact CB-SG 3.22Å; C412-C425 WeakPolarHBondContact SG-CA 3.36Å; C412-C425 WeakPolarHBondContact SG-CB 3.49Å; C412-C425 PolarHBondContact SG-N 3.4Å; C412-C425 CovalentContact SG-SG 2.07Å; C412-C425 PolarHBondContact SG-SG 3.47Å
413	S	95.8	Very high	92.6	Very high	4 Å²	4	51 Å²	51	3%	0.028	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-26.1	178.2	-178.9	0	0	0	0	113.4	T395 Y396 Q411 G417 G418	T395-S413 VanDerWaalsContact C-CB 3.47Å; T395-S413 WeakPolarHBondContact CA-OG 3.26Å; Y396-S413 PolarHBondContact N-OG 2.83Å; Q411-S413 VanDerWaalsContact C-N 3.34Å; Q411-S413 PolarHBondContact O-N 3.27Å; S413-G417 PolarHBondContact O-N 2.93Å; S413-G418 WeakPolarHBondContact CB-O 3.33Å; S413-G418 PolarHBondContact OG-O 2.88Å
414	R	94.8	Very high	92.8	Very high	104 Å²	104	53.6 Å²	53.6	39%	0.392	27%	0.268	S	S	.	.	H	α-helix	trans	-76.1	-44	175.6	-71.3	-174.2	169.4	-158.1	-5.7	111.7	Y396 P408 Q411 C412 H447	Y396-R414 PolarHBondContact O-NE 2.99Å; Y396-R414 PolarHBondContact O-NH2 3.43Å; P408-R414 WeakPolarHBondContact O-CD 3.37Å; P408-R414 PolarHBondContact O-NH1 3.47Å; Q411-R414 HydrophobicContact CB-CB 4.28Å; Q411-R414 HydrophobicContact CB-CG 4.1Å; Q411-R414 WeakPolarHBondContact O-CB 3.39Å; Q411-R414 PolarHBondContact O-N 3.13Å; Q411-R414 VanDerWaalsContact OE1-CD 3.3Å; C412-R414 PolarHBondContact O-N 2.83Å; R414-H447 PolarHBondContact O-CD2 3.24Å; R414-H447 PolarHBondContact O-NE2 2.76Å
415	E	94.9	Very high	93.1	Very high	34 Å²	34	46.1 Å²	46.1	16%	0.159	23%	0.23	C	C	.	.	H	α-helix	trans	-73.9	-46.7	-178.9	-64.4	-173.2	171.9	0	0	111	W403 Q411 C412 G417 H447 T449 D451	W403-E415 WeakPolarHBondContact CZ3-OE2 3.33Å; Q411-E415 PolarHBondContact O-N 2.74Å; Q411-E415 VanDerWaalsContact O-N 3.14Å; C412-E415 PolarHBondContact O-N 3.44Å; E415-G417 PolarHBondContact O-N 2.71Å; E415-H447 HydrophobicContact CB-CB 4.1Å; E415-H447 HydrophobicContact CG-CB 4.11Å; E415-T449 HydrophobicContact CB-CG2 3.94Å; E415-T449 HydrophobicContact CG-CG2 4.49Å; E415-T449 PolarHBondContact O-OG1 3.42Å; E415-D451 WeakPolarHBondContact O-CB 3.39Å
416	D	95	Very high	93.7	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.218	C	C	.	.	S	Bend	trans	-90	1.3	-172.7	-59.6	-22.7	0	0	0	114.6	C412 G418 Y422 C425 H426 N429 T449	C412-D416 VanDerWaalsContact O-CB 3.27Å; C412-D416 WeakPolarHBondContact O-CB 3.37Å; C412-D416 PolarHBondContact O-N 3.47Å; D416-G418 PolarHBondContact O-N 3.44Å; D416-Y422 HydrophobicContact CB-CE1 3.96Å; D416-C425 WeakPolarHBondContact OD2-CB 3.25Å; D416-H426 IonicContact OD1-CE1 3.31Å; D416-H426 IonicContact OD2-CE1 2.9Å; D416-H426 PolarHBondContact OD2-CE1 3.11Å; D416-H426 IonicContact OD2-ND1 3.64Å; D416-H426 PolarHBondContact OD2-ND1 2.92Å; D416-N429 PolarHBondContact O-ND2 2.85Å; D416-T449 PolarHBondContact OD1-OG1 3.45Å
417	G	92.8	Very high	94.2	Very high	18 Å²	18	36 Å²	36	19%	0.186	17%	0.172	C	C	.	.			trans	74.7	23.5	159	0	0	0	0	0	117.2	S413 E415	S413-G417 PolarHBondContact O-N 2.93Å; E415-G417 PolarHBondContact O-N 2.71Å
418	G	95.3	Very high	94.7	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.021	16%	0.155	C	C	.	.	S	Bend	trans	-159.9	176.8	-179.8	0	0	0	0	0	113.5	S413 D416 Y422	S413-G418 WeakPolarHBondContact CB-O 3.33Å; S413-G418 PolarHBondContact OG-O 2.88Å; D416-G418 PolarHBondContact O-N 3.44Å; G418-Y422 VanDerWaalsContact O-CE2 3.27Å; G418-Y422 WeakPolarHBondContact O-CE2 3.22Å; G418-Y422 PolarHBondContact O-OH 3.32Å
419	G	97.8	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.131	C	C	.	.			trans	-95.7	126	169.4	0	0	0	0	0	111.3	Y287 F393 S394 N431	Y287-G419 VanDerWaalsContact CE2-N 3.33Å; Y287-G419 VanDerWaalsContact CZ-CA 3.48Å; Y287-G419 PolarHBondContact OH-N 2.93Å; F393-G419 WeakPolarHBondContact CZ-O 3.43Å; S394-G419 VanDerWaalsContact O-CA 3.23Å; S394-G419 WeakPolarHBondContact O-CA 3.44Å; G419-N431 WeakPolarHBondContact O-CB 3.41Å; G419-N431 PolarHBondContact O-ND2 3.5Å
420	W	98.4	Very high	96	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-157.8	171.8	-176	-166	-123	0	0	0	112.5	W311 L371 H388 F393 S394 Y422 A428 P430 M470	W311-W420 HydrophobicContact CH2-CZ3 4.43Å; W311-W420 HydrophobicContact CZ3-CZ3 4.41Å; L371-W420 HydrophobicContact CD2-CZ2 4.25Å; H388-W420 AromaticContact CE1-CD1 3.64Å; H388-W420 AromaticContact CE1-NE1 3.24Å; H388-W420 PolarHBondContact CE1-NE1 3.42Å; H388-W420 AromaticContact ND1-CD1 3.8Å; H388-W420 AromaticContact ND1-NE1 3.38Å; H388-W420 PolarHBondContact ND1-NE1 3.17Å; H388-W420 AromaticContact NE2-NE1 3.91Å; F393-W420 WeakPolarHBondContact CA-O 3.38Å; S394-W420 PolarHBondContact N-O 2.94Å; S394-W420 PolarHBondContact O-N 2.74Å; S394-W420 VanDerWaalsContact O-N 3.11Å; W420-Y422 HydrophobicContact CB-CD1 4.13Å; W420-Y422 HydrophobicContact CB-CD2 3.79Å; W420-Y422 HydrophobicContact CB-CE1 3.78Å; W420-Y422 HydrophobicContact CB-CE2 3.41Å; W420-Y422 VanDerWaalsContact CB-CE2 3.41Å; W420-Y422 HydrophobicContact CB-CG 4.14Å; W420-Y422 VanDerWaalsContact CB-CZ 3.41Å; W420-Y422 HydrophobicContact CG-CE1 4.31Å; W420-Y422 PolarHBondContact O-N 3.24Å; W420-A428 PolarHBondContact NE1-O 3.39Å; W420-P430 HydrophobicContact CH2-CB 4.16Å; W420-P430 HydrophobicContact CH2-CG 3.51Å; W420-P430 VanDerWaalsContact CZ2-CD 3.41Å; W420-P430 HydrophobicContact CZ2-CG 3.64Å; W420-P430 HydrophobicContact CZ3-CB 4.27Å; W420-P430 HydrophobicContact CZ3-CG 4.06Å; W420-M470 HydrophobicContact CH2-CE 3.96Å; W420-M470 HydrophobicContact CH2-SD 3.74Å; W420-M470 HydrophobicContact CZ3-CE 4.38Å; W420-M470 HydrophobicContact CZ3-SD 3.88Å
421	W	98.3	Very high	96.4	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.015	8%	0.078	C	C	.	.			trans	-77	67.4	168.3	-58.3	-73.9	0	0	0	110.8	W311 F347 V349 Y356 V358 H388 M391 F392 F393 M470	W311-W421 HydrophobicContact CH2-CH2 4.11Å; F347-W421 HydrophobicContact CE2-CH2 4.25Å; F347-W421 HydrophobicContact CZ-CH2 4.15Å; V349-W421 HydrophobicContact CG1-CZ2 4.47Å; V349-W421 HydrophobicContact CG2-CH2 4.43Å; V349-W421 HydrophobicContact CG2-CZ2 3.78Å; Y356-W421 PolarHBondContact O-NE1 2.99Å; V358-W421 HydrophobicContact CB-CD2 3.78Å; V358-W421 HydrophobicContact CB-CE3 4.48Å; V358-W421 HydrophobicContact CB-CG 3.82Å; V358-W421 HydrophobicContact CB-CZ2 4.24Å; V358-W421 HydrophobicContact CG1-CB 3.77Å; V358-W421 HydrophobicContact CG1-CD2 3.79Å; V358-W421 HydrophobicContact CG1-CE3 4.45Å; V358-W421 HydrophobicContact CG1-CG 3.43Å; V358-W421 VanDerWaalsContact CG1-CG 3.43Å; V358-W421 HydrophobicContact CG2-CD2 4.28Å; V358-W421 HydrophobicContact CG2-CZ2 4.35Å; H388-W421 PolarHBondContact ND1-O 2.98Å; M391-W421 HydrophobicContact CB-CB 4.19Å; F392-W421 WeakPolarHBondContact O-CA 3.32Å; F393-W421 AromaticContact CD2-CD1 3.92Å; F393-W421 HydrophobicContact CD2-CD2 4.21Å; F393-W421 AromaticContact CD2-CE2 3.9Å; F393-W421 HydrophobicContact CD2-CG 4.22Å; F393-W421 HydrophobicContact CD2-CZ2 4.48Å; F393-W421 AromaticContact CD2-NE1 3.69Å; W421-M470 HydrophobicContact CH2-CE 4.39Å; W421-M470 HydrophobicContact CZ3-CE 4.08Å
422	Y	98	Very high	96.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.072	C	C	.	.			trans	-75	138.5	-178.7	-65.9	-66.1	0	0	0	111.7	M391 C412 D416 G418 W420 C425 H426 N429	M391-Y422 WeakPolarHBondContact CE-O 3.49Å; C412-Y422 HydrophobicContact CB-CD1 3.99Å; C412-Y422 HydrophobicContact CB-CD2 4.31Å; C412-Y422 HydrophobicContact CB-CG 3.77Å; D416-Y422 HydrophobicContact CB-CE1 3.96Å; G418-Y422 VanDerWaalsContact O-CE2 3.27Å; G418-Y422 WeakPolarHBondContact O-CE2 3.22Å; G418-Y422 PolarHBondContact O-OH 3.32Å; W420-Y422 HydrophobicContact CB-CD1 4.13Å; W420-Y422 HydrophobicContact CB-CD2 3.79Å; W420-Y422 HydrophobicContact CB-CE1 3.78Å; W420-Y422 HydrophobicContact CB-CE2 3.41Å; W420-Y422 VanDerWaalsContact CB-CE2 3.41Å; W420-Y422 HydrophobicContact CB-CG 4.14Å; W420-Y422 VanDerWaalsContact CB-CZ 3.41Å; W420-Y422 HydrophobicContact CG-CE1 4.31Å; W420-Y422 PolarHBondContact O-N 3.24Å; Y422-C425 WeakPolarHBondContact CA-O 3.3Å; Y422-H426 HydrophobicContact CD1-CB 4.19Å; Y422-H426 HydrophobicContact CE1-CB 4.31Å; Y422-N429 PolarHBondContact OH-OD1 2.97Å
423	N	95.1	Very high	96.6	Very high	27 Å²	27	21.1 Å²	21.1	14%	0.144	9%	0.093	C	C	.	.	S	Bend	trans	-101.7	-121	168.9	-170	-6.6	0	0	0	109.2	M385 I387 M391 D401 G402 C425	M385-N423 VanDerWaalsContact O-CB 3.29Å; M385-N423 WeakPolarHBondContact O-CB 3.35Å; M385-N423 PolarHBondContact O-ND2 3.33Å; I387-N423 WeakPolarHBondContact O-CB 3.47Å; I387-N423 PolarHBondContact O-ND2 3.34Å; I387-N423 VanDerWaalsContact O-ND2 3.08Å; M391-N423 HydrophobicContact CE-CB 3.79Å; M391-N423 HydrophobicContact CG-CB 3.83Å; M391-N423 HydrophobicContact SD-CB 3.7Å; D401-N423 WeakPolarHBondContact CB-O 3.47Å; G402-N423 WeakPolarHBondContact CA-O 3.43Å; G402-N423 VanDerWaalsContact N-C 3.32Å; G402-N423 PolarHBondContact N-O 3.49Å; N423-C425 PolarHBondContact N-O 2.95Å; N423-C425 PolarHBondContact O-N 3.44Å
424	R	94.4	Very high	96.7	Very high	110 Å²	110	22.7 Å²	22.7	42%	0.415	10%	0.099	S	C	.	.	S	Bend	trans	-80	60.1	155.8	-158.8	159.5	173	-171.8	-0.6	108.1	E381 M385 W403	E381-R424 IonicContact OE1-NH1 2.82Å; M385-R424 HydrophobicContact CB-CB 3.73Å; M385-R424 HydrophobicContact CG-CB 4.04Å; M385-R424 WeakPolarHBondContact O-CA 3.36Å; M385-R424 WeakPolarHBondContact O-CB 3.36Å; M385-R424 PolarHBondContact O-N 3.41Å; M385-R424 HydrophobicContact SD-CB 4.23Å; M385-R424 VanDerWaalsContact SD-CD 3.59Å; M385-R424 HydrophobicContact SD-CG 4.07Å; W403-R424 HydrophobicContact CB-CG 4.32Å; W403-R424 HydrophobicContact CG-CG 4.23Å
425	C	95.4	Very high	96.8	Very high	18 Å²	18	19.4 Å²	19.4	12%	0.122	9%	0.086	C	C	.	.	S	Bend	trans	81.3	-114.3	-176.7	-52.4	0	0	0	0	112.8	C412 D416 Y422 N423	C412-C425 VanDerWaalsContact CA-SG 3.53Å; C412-C425 HydrophobicContact CB-CB 3.77Å; C412-C425 WeakPolarHBondContact CB-SG 3.22Å; C412-C425 WeakPolarHBondContact SG-CA 3.36Å; C412-C425 WeakPolarHBondContact SG-CB 3.49Å; C412-C425 PolarHBondContact SG-N 3.4Å; C412-C425 CovalentContact SG-SG 2.07Å; C412-C425 PolarHBondContact SG-SG 3.47Å; D416-C425 WeakPolarHBondContact OD2-CB 3.25Å; Y422-C425 WeakPolarHBondContact CA-O 3.3Å; N423-C425 PolarHBondContact N-O 2.95Å; N423-C425 PolarHBondContact O-N 3.44Å
426	H	97.3	Very high	96.9	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.023	12%	0.115	C	C	.	.			trans	-154.2	156.7	-166	67.7	-94.4	0	0	0	115.5	T386 H388 D416 Y422 A428 D450 M456	T386-H426 WeakPolarHBondContact CG2-O 3.25Å; H388-H426 VanDerWaalsContact CE1-CA 3.48Å; H388-H426 WeakPolarHBondContact CE1-CA 3.21Å; H388-H426 VanDerWaalsContact CE1-CB 3.45Å; H388-H426 WeakPolarHBondContact CE1-CB 3.3Å; D416-H426 IonicContact OD1-CE1 3.31Å; D416-H426 IonicContact OD2-CE1 2.9Å; D416-H426 PolarHBondContact OD2-CE1 3.11Å; D416-H426 IonicContact OD2-ND1 3.64Å; D416-H426 PolarHBondContact OD2-ND1 2.92Å; Y422-H426 HydrophobicContact CD1-CB 4.19Å; Y422-H426 HydrophobicContact CE1-CB 4.31Å; H426-A428 WeakPolarHBondContact CB-O 3.26Å; H426-D450 PolarHBondContact CE1-O 3.26Å; H426-D450 VanDerWaalsContact CE1-O 3.3Å; H426-D450 IonicContact CE1-OD1 2.92Å; H426-D450 PolarHBondContact NE2-O 2.93Å; H426-D450 IonicContact NE2-OD2 3.7Å; H426-M456 VanDerWaalsContact O-SD 3.34Å
427	A	97.6	Very high	97	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-102.2	-20.9	158.9	0	0	0	0	0	111.6	A370 A375 T386 H388 M456	A370-A427 HydrophobicContact CB-CB 4Å; A375-A427 HydrophobicContact CB-CB 4.16Å; T386-A427 WeakPolarHBondContact O-CB 3.12Å; T386-A427 PolarHBondContact O-N 3.43Å; H388-A427 PolarHBondContact NE2-N 3.07Å; A427-M456 VanDerWaalsContact O-CB 3.28Å; A427-M456 WeakPolarHBondContact O-CB 3.28Å; A427-M456 WeakPolarHBondContact O-CG 3.46Å; A427-M456 PolarHBondContact O-N 2.98Å
428	A	98	Very high	97.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	135	174.3	0	0	0	0	0	110.2	A370 H388 W420 H426 V454 W455	A370-A428 HydrophobicContact CB-CB 4.02Å; H388-A428 PolarHBondContact CE1-O 3.25Å; H388-A428 PolarHBondContact NE2-N 3.02Å; H388-A428 PolarHBondContact NE2-O 3.28Å; W420-A428 PolarHBondContact NE1-O 3.39Å; H426-A428 WeakPolarHBondContact CB-O 3.26Å; A428-V454 CarbonylContact C-O 3.53Å; A428-V454 WeakPolarHBondContact CA-O 3.36Å; A428-W455 HydrophobicContact CB-CD2 3.89Å; A428-W455 HydrophobicContact CB-CE3 3.28Å; A428-W455 HydrophobicContact CB-CH2 4.29Å; A428-W455 HydrophobicContact CB-CZ3 3.51Å
429	N	98.3	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	70.3	178.1	-170.8	20.8	0	0	0	111.6	D416 Y422 N431 G432 G452 V453 V454	D416-N429 PolarHBondContact O-ND2 2.85Å; Y422-N429 PolarHBondContact OH-OD1 2.97Å; N429-N431 PolarHBondContact O-N 3.02Å; N429-N431 VanDerWaalsContact O-N 3.16Å; N429-G432 PolarHBondContact O-N 3.05Å; N429-G432 PolarHBondContact OD1-N 2.97Å; N429-G452 PolarHBondContact ND2-O 3.37Å; N429-V453 WeakPolarHBondContact O-CA 3.33Å; N429-V454 HydrophobicContact CB-CB 4.42Å; N429-V454 PolarHBondContact N-O 2.79Å; N429-V454 PolarHBondContact O-N 3.15Å
430	P	97.9	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.1	-178.1	-26.1	39.4	0	0	0	114.4	Q271 W420 M468	Q271-P430 VanDerWaalsContact NE2-CB 3.35Å; Q271-P430 PolarHBondContact NE2-O 3.38Å; W420-P430 HydrophobicContact CH2-CB 4.16Å; W420-P430 HydrophobicContact CH2-CG 3.51Å; W420-P430 VanDerWaalsContact CZ2-CD 3.41Å; W420-P430 HydrophobicContact CZ2-CG 3.64Å; W420-P430 HydrophobicContact CZ3-CB 4.27Å; W420-P430 HydrophobicContact CZ3-CG 4.06Å; P430-M468 HydrophobicContact CB-CG 3.85Å; P430-M468 HydrophobicContact CB-SD 4.32Å
431	N	98.2	Very high	97.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	10	-176.4	-71.8	-9	0	0	0	113.1	Q271 F280 G419 N429	Q271-N431 PolarHBondContact NE2-OD1 2.84Å; F280-N431 WeakPolarHBondContact CB-O 3.27Å; F280-N431 HydrophobicContact CD1-CB 3.96Å; G419-N431 WeakPolarHBondContact O-CB 3.41Å; G419-N431 PolarHBondContact O-ND2 3.5Å; N429-N431 PolarHBondContact O-N 3.02Å; N429-N431 VanDerWaalsContact O-N 3.16Å
432	G	97	Very high	96.9	Very high	1 Å²	1	45 Å²	45	1%	0.01	20%	0.202	C	C	.	.	S	Bend	trans	-69.6	-175.5	175.8	0	0	0	0	0	114.1	N429	N429-G432 PolarHBondContact O-N 3.05Å; N429-G432 PolarHBondContact OD1-N 2.97Å
433	R	97.7	Very high	96.8	Very high	115 Å²	115	50 Å²	50	43%	0.434	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-70.8	140.3	179.6	-58	178.8	68.8	71.6	1.2	110.7	Y435 D451 G452 V453	R433-Y435 HydrophobicContact CB-CD2 4.43Å; R433-Y435 HydrophobicContact CB-CE2 3.91Å; R433-Y435 PolarHBondContact O-N 3.49Å; R433-D451 WeakPolarHBondContact CB-O 3.48Å; R433-D451 WeakPolarHBondContact CD-OD2 3.29Å; R433-D451 PolarHBondContact N-O 3.14Å; R433-G452 CarbonylContact O-C 3.58Å; R433-G452 VanDerWaalsContact O-CA 3.31Å; R433-G452 WeakPolarHBondContact O-CA 3.4Å; R433-V453 PolarHBondContact O-N 2.94Å
434	Y	98	Very high	96.8	Very high	38 Å²	38	54.2 Å²	54.2	15%	0.149	25%	0.249	C	C	.	.			trans	-86.2	98.6	-178.7	-166.7	-94	0	0	0	110.8	Q274 W335 W436 V453 R466	Q274-Y434 PolarHBondContact O-OH 2.77Å; Q274-Y434 VanDerWaalsContact O-OH 3.05Å; W335-Y434 AromaticContact CH2-CE1 3.9Å; W335-Y434 HydrophobicContact CH2-CE1 3.9Å; W335-Y434 AromaticContact CZ2-CE1 3.9Å; W335-Y434 HydrophobicContact CZ2-CE1 3.9Å; W335-Y434 AromaticContact CZ2-CZ 3.85Å; Y434-W436 AromaticContact CE1-CE3 3.99Å; Y434-W436 HydrophobicContact CE1-CE3 3.99Å; Y434-W436 HydrophobicContact CE1-CZ3 4.29Å; Y434-V453 HydrophobicContact CD2-CG2 4.26Å; Y434-R466 WeakPolarHBondContact CE2-O 3.44Å; Y434-R466 PolarHBondContact OH-O 3Å
435	Y	98	Very high	96.8	Very high	34 Å²	34	49.6 Å²	49.6	13%	0.133	23%	0.233	C	C	.	.			trans	-86.4	118.2	176.7	-70.8	-84.4	0	0	0	111.6	W335 R433 G438 Y440 M444 S445 D451 S464	W335-Y435 WeakPolarHBondContact CZ2-O 2.99Å; R433-Y435 HydrophobicContact CB-CD2 4.43Å; R433-Y435 HydrophobicContact CB-CE2 3.91Å; R433-Y435 PolarHBondContact O-N 3.49Å; Y435-G438 PolarHBondContact O-N 2.88Å; Y435-Y440 HydrophobicContact CD1-CD2 4.49Å; Y435-Y440 HydrophobicContact CD1-CG 4.24Å; Y435-Y440 HydrophobicContact CD2-CD1 4.1Å; Y435-Y440 AromaticContact CD2-CD2 3.96Å; Y435-Y440 HydrophobicContact CD2-CD2 3.96Å; Y435-Y440 HydrophobicContact CD2-CE1 4.43Å; Y435-Y440 HydrophobicContact CD2-CE2 4.27Å; Y435-Y440 AromaticContact CD2-CG 3.85Å; Y435-Y440 HydrophobicContact CD2-CG 3.85Å; Y435-Y440 HydrophobicContact CE1-CD2 4.31Å; Y435-Y440 AromaticContact CE2-CD2 3.73Å; Y435-Y440 HydrophobicContact CE2-CD2 3.73Å; Y435-Y440 AromaticContact CE2-CE2 3.9Å; Y435-Y440 HydrophobicContact CE2-CE2 3.9Å; Y435-Y440 HydrophobicContact CE2-CG 4.12Å; Y435-Y440 HydrophobicContact CG-CD1 4.32Å; Y435-Y440 HydrophobicContact CG-CD2 4.33Å; Y435-Y440 AromaticContact CG-CG 3.91Å; Y435-Y440 HydrophobicContact CG-CG 3.91Å; Y435-Y440 AromaticContact CZ-CD2 3.93Å; Y435-M444 HydrophobicContact CE1-CB 4.49Å; Y435-S445 WeakPolarHBondContact OH-CA 3.39Å; Y435-D451 WeakPolarHBondContact CE2-OD1 3.2Å; Y435-D451 VanDerWaalsContact CZ-OD1 3.25Å; Y435-D451 VanDerWaalsContact OH-CG 3.31Å; Y435-D451 PolarHBondContact OH-OD1 3.5Å; Y435-D451 PolarHBondContact OH-OD2 3.06Å; Y435-S464 PolarHBondContact N-OG 2.9Å
436	W	97.2	Very high	96.7	Very high	202 Å²	202	56 Å²	56	77%	0.765	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	133.8	179.4	-165.4	-89.8	0	0	0	111.9	W335 Y434 G438	W335-W436 HydrophobicContact CH2-CB 4.33Å; W335-W436 AromaticContact CH2-CD2 3.55Å; W335-W436 HydrophobicContact CH2-CD2 3.55Å; W335-W436 AromaticContact CH2-CE2 3.98Å; W335-W436 AromaticContact CH2-CE3 3.62Å; W335-W436 HydrophobicContact CH2-CE3 3.62Å; W335-W436 AromaticContact CH2-CG 3.91Å; W335-W436 HydrophobicContact CH2-CG 3.91Å; W335-W436 HydrophobicContact CH2-CH2 4.45Å; W335-W436 HydrophobicContact CH2-CZ2 4.42Å; W335-W436 HydrophobicContact CH2-CZ3 4.08Å; W335-W436 AromaticContact CZ3-CD2 3.83Å; W335-W436 HydrophobicContact CZ3-CD2 3.83Å; W335-W436 AromaticContact CZ3-CE2 3.74Å; W335-W436 HydrophobicContact CZ3-CE3 4.19Å; W335-W436 HydrophobicContact CZ3-CG 4.22Å; W335-W436 HydrophobicContact CZ3-CH2 4.37Å; W335-W436 HydrophobicContact CZ3-CZ2 4.04Å; W335-W436 HydrophobicContact CZ3-CZ3 4.45Å; Y434-W436 AromaticContact CE1-CE3 3.99Å; Y434-W436 HydrophobicContact CE1-CE3 3.99Å; Y434-W436 HydrophobicContact CE1-CZ3 4.29Å; W436-G438 PolarHBondContact O-N 2.97Å
437	G	95.7	Very high	96.5	Very high	37 Å²	37	60.3 Å²	60.3	38%	0.381	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-5.6	-177.5	0	0	0	0	0	114.8	W335 L439	W335-G437 VanDerWaalsContact CH2-N 3.3Å; G437-L439 VanDerWaalsContact C-N 3.25Å; G437-L439 PolarHBondContact O-N 2.88Å
438	G	95.3	Very high	96.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	81.9	-45.8	169.9	0	0	0	0	0	115.1	W335 Y435 W436 Y440 Y463 S464	W335-G438 VanDerWaalsContact NE1-N 3.15Å; Y435-G438 PolarHBondContact O-N 2.88Å; W436-G438 PolarHBondContact O-N 2.97Å; G438-Y440 PolarHBondContact O-N 3.48Å; G438-Y463 CarbonylContact O-C 3.41Å; G438-Y463 WeakPolarHBondContact O-CA 3.32Å; G438-S464 WeakPolarHBondContact CA-O 3.44Å; G438-S464 PolarHBondContact O-N 2.81Å
439	L	96.8	Very high	96.1	Very high	138 Å²	138	63.4 Å²	63.4	72%	0.723	31%	0.306	S	S	*	.	B	Isolated β-bridge	trans	-71.5	123.9	176.5	-70.1	168.1	0	0	0	110.5	G437 Y463	G437-L439 VanDerWaalsContact C-N 3.25Å; G437-L439 PolarHBondContact O-N 2.88Å; L439-Y463 HydrophobicContact CD2-CD2 3.99Å; L439-Y463 HydrophobicContact CD2-CE2 4.48Å; L439-Y463 HydrophobicContact CG-CD2 4.36Å; L439-Y463 HydrophobicContact CG-CE2 4.45Å
440	Y	97.4	Very high	95.9	Very high	10 Å²	10	64.8 Å²	64.8	4%	0.039	31%	0.313	C	S	.	.			trans	-141	164.8	173.3	75.8	-75.2	0	0	0	109.7	Y435 G438 D450 G452 V454 S461 W462	Y435-Y440 HydrophobicContact CD1-CD2 4.49Å; Y435-Y440 HydrophobicContact CD1-CG 4.24Å; Y435-Y440 HydrophobicContact CD2-CD1 4.1Å; Y435-Y440 AromaticContact CD2-CD2 3.96Å; Y435-Y440 HydrophobicContact CD2-CD2 3.96Å; Y435-Y440 HydrophobicContact CD2-CE1 4.43Å; Y435-Y440 HydrophobicContact CD2-CE2 4.27Å; Y435-Y440 AromaticContact CD2-CG 3.85Å; Y435-Y440 HydrophobicContact CD2-CG 3.85Å; Y435-Y440 HydrophobicContact CE1-CD2 4.31Å; Y435-Y440 AromaticContact CE2-CD2 3.73Å; Y435-Y440 HydrophobicContact CE2-CD2 3.73Å; Y435-Y440 AromaticContact CE2-CE2 3.9Å; Y435-Y440 HydrophobicContact CE2-CE2 3.9Å; Y435-Y440 HydrophobicContact CE2-CG 4.12Å; Y435-Y440 HydrophobicContact CG-CD1 4.32Å; Y435-Y440 HydrophobicContact CG-CD2 4.33Å; Y435-Y440 AromaticContact CG-CG 3.91Å; Y435-Y440 HydrophobicContact CG-CG 3.91Å; Y435-Y440 AromaticContact CZ-CD2 3.93Å; G438-Y440 PolarHBondContact O-N 3.48Å; Y440-D450 WeakPolarHBondContact OH-CA 3.44Å; Y440-D450 VanDerWaalsContact OH-CB 3.29Å; Y440-D450 WeakPolarHBondContact OH-CB 3.5Å; Y440-D450 PolarHBondContact OH-O 3.29Å; Y440-G452 PolarHBondContact OH-N 3.05Å; Y440-V454 HydrophobicContact CE1-CG2 4.18Å; Y440-V454 WeakPolarHBondContact OH-CG2 3.28Å; Y440-S461 VanDerWaalsContact CE1-O 3.32Å; Y440-S461 WeakPolarHBondContact CE1-O 3.09Å; Y440-S461 VanDerWaalsContact CZ-O 3.22Å; Y440-S461 PolarHBondContact OH-O 2.75Å; Y440-W462 AromaticContact CD2-CE3 3.99Å; Y440-W462 HydrophobicContact CD2-CE3 3.99Å; Y440-W462 HydrophobicContact CD2-CZ3 4.27Å; Y440-W462 VanDerWaalsContact CE1-C 3.41Å; Y440-W462 AromaticContact CE2-CE3 3.72Å; Y440-W462 HydrophobicContact CE2-CE3 3.72Å; Y440-W462 AromaticContact CE2-CZ3 3.89Å; Y440-W462 HydrophobicContact CE2-CZ3 3.89Å; Y440-W462 PolarHBondContact N-O 3.14Å; Y440-W462 WeakPolarHBondContact O-CB 3.4Å
441	S	96.5	Very high	95.9	Very high	33 Å²	33	64.9 Å²	64.9	23%	0.231	31%	0.314	C	S	.	.			trans	-135.4	166.1	-175.8	49.4	0	0	0	0	111.6	D443 M444 S445	S441-D443 WeakPolarHBondContact CB-OD1 3.4Å; S441-D443 PolarHBondContact O-N 3.01Å; S441-D443 PolarHBondContact OG-OD1 2.93Å; S441-M444 WeakPolarHBondContact O-CB 3.35Å; S441-M444 PolarHBondContact O-N 2.8Å; S441-S445 PolarHBondContact O-N 3.24Å
442	W	95.6	Very high	95.8	Very high	177 Å²	177	64.9 Å²	64.9	67%	0.67	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.2	-176.1	67.6	-88.3	0	0	0	113.1	M444 S445 W462	W442-M444 VanDerWaalsContact C-N 3.29Å; W442-M444 PolarHBondContact O-N 2.94Å; W442-S445 PolarHBondContact O-N 3.01Å; W442-S445 PolarHBondContact O-OG 3.39Å; W442-W462 VanDerWaalsContact CA-CH2 3.44Å; W442-W462 VanDerWaalsContact CA-CZ3 3.43Å; W442-W462 HydrophobicContact CB-CH2 3.43Å; W442-W462 VanDerWaalsContact CB-CH2 3.43Å; W442-W462 HydrophobicContact CB-CZ2 3.95Å; W442-W462 HydrophobicContact CB-CZ3 3.97Å
443	D	94.8	Very high	95.9	Very high	105 Å²	105	64.9 Å²	64.9	56%	0.561	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.2	178.3	62.6	-46.1	0	0	0	113.9	S441	S441-D443 WeakPolarHBondContact CB-OD1 3.4Å; S441-D443 PolarHBondContact O-N 3.01Å; S441-D443 PolarHBondContact OG-OD1 2.93Å
444	M	95.1	Very high	95.9	Very high	116 Å²	116	59.4 Å²	59.4	57%	0.571	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-27.2	173.1	-58.8	-174.7	-176.5	0	0	112.8	Y435 S441 W442	Y435-M444 HydrophobicContact CE1-CB 4.49Å; S441-M444 WeakPolarHBondContact O-CB 3.35Å; S441-M444 PolarHBondContact O-N 2.8Å; W442-M444 VanDerWaalsContact C-N 3.29Å; W442-M444 PolarHBondContact O-N 2.94Å
445	S	94.9	Very high	95.9	Very high	12 Å²	12	57.6 Å²	57.6	8%	0.084	29%	0.286	C	S	.	.	S	Bend	trans	-68.2	149.6	180	73.2	0	0	0	0	111.8	Y435 S441 W442 H447 G448 T449	Y435-S445 WeakPolarHBondContact OH-CA 3.39Å; S441-S445 PolarHBondContact O-N 3.24Å; W442-S445 PolarHBondContact O-N 3.01Å; W442-S445 PolarHBondContact O-OG 3.39Å; S445-H447 VanDerWaalsContact C-N 3.29Å; S445-H447 PolarHBondContact O-N 3.44Å; S445-G448 WeakPolarHBondContact OG-CA 3.4Å; S445-G448 PolarHBondContact OG-N 3.34Å; S445-T449 WeakPolarHBondContact CB-O 3.21Å; S445-T449 PolarHBondContact OG-N 2.86Å; S445-T449 VanDerWaalsContact OG-N 3.12Å; S445-T449 PolarHBondContact OG-O 3.37Å
446	K	93.1	Very high	95.9	Very high	154 Å²	154	56.6 Å²	56.6	67%	0.67	28%	0.282	S	S	*	.	S	Bend	trans	-67.9	-32.7	-175.7	-172.4	-179.1	175.3	-168.1	0	112.5	D451	K446-D451 PolarHBondContact N-OD2 3.29Å
447	H	93	Very high	95.9	Very high	94 Å²	94	48.3 Å²	48.3	44%	0.435	25%	0.253	S	S	.	.	S	Bend	trans	-120	7	-173.3	-67.3	-70.4	0	0	0	113.8	R414 E415 S445 T449	R414-H447 PolarHBondContact O-CD2 3.24Å; R414-H447 PolarHBondContact O-NE2 2.76Å; E415-H447 HydrophobicContact CB-CB 4.1Å; E415-H447 HydrophobicContact CG-CB 4.11Å; S445-H447 VanDerWaalsContact C-N 3.29Å; S445-H447 PolarHBondContact O-N 3.44Å; H447-T449 VanDerWaalsContact C-N 3.33Å
448	G	92.8	Very high	95.9	Very high	39 Å²	39	49.3 Å²	49.3	40%	0.402	25%	0.246	S	C	.	.	S	Bend	trans	82.9	5.6	-177	0	0	0	0	0	114.5	S445	S445-G448 WeakPolarHBondContact OG-CA 3.4Å; S445-G448 PolarHBondContact OG-N 3.34Å
449	T	94.2	Very high	96	Very high	26 Å²	26	52.5 Å²	52.5	16%	0.16	26%	0.259	C	S	.	.	S	Bend	trans	-108.8	175.9	-175.8	66.4	0	0	0	0	112.5	E415 D416 S445 H447 D451	E415-T449 HydrophobicContact CB-CG2 3.94Å; E415-T449 HydrophobicContact CG-CG2 4.49Å; E415-T449 PolarHBondContact O-OG1 3.42Å; D416-T449 PolarHBondContact OD1-OG1 3.45Å; S445-T449 WeakPolarHBondContact CB-O 3.21Å; S445-T449 PolarHBondContact OG-N 2.86Å; S445-T449 VanDerWaalsContact OG-N 3.12Å; S445-T449 PolarHBondContact OG-O 3.37Å; H447-T449 VanDerWaalsContact C-N 3.33Å; T449-D451 VanDerWaalsContact C-N 3.26Å; T449-D451 PolarHBondContact O-N 3.28Å
450	D	95.4	Very high	95.9	Very high	30 Å²	30	46.5 Å²	46.5	16%	0.16	23%	0.23	C	C	.	.			trans	-82.7	62.5	178	49.9	-20.7	0	0	0	112.9	H426 Y440 G452 S461	H426-D450 PolarHBondContact CE1-O 3.26Å; H426-D450 VanDerWaalsContact CE1-O 3.3Å; H426-D450 IonicContact CE1-OD1 2.92Å; H426-D450 PolarHBondContact NE2-O 2.93Å; H426-D450 IonicContact NE2-OD2 3.7Å; Y440-D450 WeakPolarHBondContact OH-CA 3.44Å; Y440-D450 VanDerWaalsContact OH-CB 3.29Å; Y440-D450 WeakPolarHBondContact OH-CB 3.5Å; Y440-D450 PolarHBondContact OH-O 3.29Å; D450-G452 PolarHBondContact O-N 3.5Å; D450-G452 VanDerWaalsContact O-N 3.11Å; D450-S461 WeakPolarHBondContact OD2-CB 3.38Å; D450-S461 PolarHBondContact OD2-OG 3.26Å
451	D	96.8	Very high	95.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.234	C	C	.	.			trans	-77.2	14.3	-175.8	70	-7.3	0	0	0	115.3	E415 R433 Y435 K446 T449	E415-D451 WeakPolarHBondContact O-CB 3.39Å; R433-D451 WeakPolarHBondContact CB-O 3.48Å; R433-D451 WeakPolarHBondContact CD-OD2 3.29Å; R433-D451 PolarHBondContact N-O 3.14Å; Y435-D451 WeakPolarHBondContact CE2-OD1 3.2Å; Y435-D451 VanDerWaalsContact CZ-OD1 3.25Å; Y435-D451 VanDerWaalsContact OH-CG 3.31Å; Y435-D451 PolarHBondContact OH-OD1 3.5Å; Y435-D451 PolarHBondContact OH-OD2 3.06Å; K446-D451 PolarHBondContact N-OD2 3.29Å; T449-D451 VanDerWaalsContact C-N 3.26Å; T449-D451 PolarHBondContact O-N 3.28Å
452	G	97.2	Very high	95.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-86.2	179.7	-178.7	0	0	0	0	0	115.2	N429 R433 Y440 D450 V454	N429-G452 PolarHBondContact ND2-O 3.37Å; R433-G452 CarbonylContact O-C 3.58Å; R433-G452 VanDerWaalsContact O-CA 3.31Å; R433-G452 WeakPolarHBondContact O-CA 3.4Å; Y440-G452 PolarHBondContact OH-N 3.05Å; D450-G452 PolarHBondContact O-N 3.5Å; D450-G452 VanDerWaalsContact O-N 3.11Å; G452-V454 VanDerWaalsContact C-N 3.3Å; G452-V454 PolarHBondContact O-N 3.3Å
453	V	98.1	Very high	96	Very high	1 Å²	1	43 Å²	43	1%	0.006	22%	0.215	C	C	.	.	S	Bend	trans	-75.8	81.8	169.6	-174.7	0	0	0	0	109.7	N429 R433 Y434 S464 M465 M468	N429-V453 WeakPolarHBondContact O-CA 3.33Å; R433-V453 PolarHBondContact O-N 2.94Å; Y434-V453 HydrophobicContact CD2-CG2 4.26Å; V453-S464 PolarHBondContact N-OG 3.5Å; V453-S464 CarbonylContact O-C 3.56Å; V453-S464 WeakPolarHBondContact O-CA 3.39Å; V453-M465 HydrophobicContact CG1-CB 4.13Å; V453-M465 WeakPolarHBondContact O-CG 3.15Å; V453-M465 PolarHBondContact O-N 2.96Å; V453-M468 HydrophobicContact CG1-CB 3.82Å; V453-M468 HydrophobicContact CG1-CE 4.24Å; V453-M468 HydrophobicContact CG1-CG 4.16Å
454	V	97.9	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145.2	-164.9	172.3	0	0	0	0	112.9	A428 N429 Y440 G452 M456 G460 S461	A428-V454 CarbonylContact C-O 3.53Å; A428-V454 WeakPolarHBondContact CA-O 3.36Å; N429-V454 HydrophobicContact CB-CB 4.42Å; N429-V454 PolarHBondContact N-O 2.79Å; N429-V454 PolarHBondContact O-N 3.15Å; Y440-V454 HydrophobicContact CE1-CG2 4.18Å; Y440-V454 WeakPolarHBondContact OH-CG2 3.28Å; G452-V454 VanDerWaalsContact C-N 3.3Å; G452-V454 PolarHBondContact O-N 3.3Å; V454-M456 HydrophobicContact CG1-CG 3.75Å; V454-G460 WeakPolarHBondContact CG1-O 3.32Å; V454-S461 WeakPolarHBondContact CG2-O 3.36Å
455	W	98.1	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	95.9	160.8	-163.2	-89.2	0	0	0	109.1	I330 M332 A342 A367 G368 A370 L371 A428 N457 W458 K459 M465 M468	I330-W455 HydrophobicContact CD1-CH2 3.95Å; I330-W455 HydrophobicContact CD1-CZ3 4.02Å; I330-W455 HydrophobicContact CG2-CZ3 4.31Å; M332-W455 HydrophobicContact CE-CB 4.32Å; M332-W455 HydrophobicContact CE-CD2 3.5Å; M332-W455 HydrophobicContact CE-CE3 3.57Å; M332-W455 HydrophobicContact CE-CG 3.85Å; M332-W455 HydrophobicContact CE-CH2 4.45Å; M332-W455 HydrophobicContact CE-CZ2 4.38Å; M332-W455 HydrophobicContact CE-CZ3 4.07Å; M332-W455 HydrophobicContact SD-CB 3.59Å; M332-W455 VanDerWaalsContact SD-CB 3.59Å; M332-W455 HydrophobicContact SD-CD2 3.94Å; M332-W455 HydrophobicContact SD-CE3 4.38Å; M332-W455 HydrophobicContact SD-CG 3.58Å; M332-W455 VanDerWaalsContact SD-CG 3.58Å; A342-W455 HydrophobicContact CB-CH2 4.14Å; A342-W455 HydrophobicContact CB-CZ2 3.89Å; A367-W455 PolarHBondContact O-NE1 3.43Å; G368-W455 WeakPolarHBondContact O-CZ2 3.21Å; G368-W455 PolarHBondContact O-NE1 3.21Å; G368-W455 VanDerWaalsContact O-NE1 3.12Å; A370-W455 HydrophobicContact CB-CD2 4.12Å; A370-W455 HydrophobicContact CB-CH2 4.12Å; A370-W455 HydrophobicContact CB-CZ2 3.56Å; L371-W455 HydrophobicContact CD2-CH2 4.38Å; L371-W455 HydrophobicContact CG-CH2 4.16Å; A428-W455 HydrophobicContact CB-CD2 3.89Å; A428-W455 HydrophobicContact CB-CE3 3.28Å; A428-W455 HydrophobicContact CB-CH2 4.29Å; A428-W455 HydrophobicContact CB-CZ3 3.51Å; W455-N457 PolarHBondContact O-N 2.94Å; W455-N457 VanDerWaalsContact O-N 3.17Å; W455-W458 PolarHBondContact O-N 3.18Å; W455-K459 PolarHBondContact O-N 2.93Å; W455-M465 HydrophobicContact CB-CE 3.94Å; W455-M468 HydrophobicContact CE3-CE 4.42Å
456	M	97.3	Very high	96.4	Very high	13 Å²	13	35.1 Å²	35.1	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-36.4	-168.3	-69	171.4	76.6	0	0	112.1	A375 Q377 L378 H426 A427 V454 W458 G460 S461	A375-M456 HydrophobicContact CB-CB 4.32Å; A375-M456 HydrophobicContact CB-CE 3.62Å; A375-M456 HydrophobicContact CB-SD 3.9Å; Q377-M456 HydrophobicContact CG-CE 4.37Å; L378-M456 HydrophobicContact CD1-CE 4.19Å; L378-M456 HydrophobicContact CG-CE 4.49Å; H426-M456 VanDerWaalsContact O-SD 3.34Å; A427-M456 VanDerWaalsContact O-CB 3.28Å; A427-M456 WeakPolarHBondContact O-CB 3.28Å; A427-M456 WeakPolarHBondContact O-CG 3.46Å; A427-M456 PolarHBondContact O-N 2.98Å; V454-M456 HydrophobicContact CG1-CG 3.75Å; M456-W458 PolarHBondContact O-N 3.44Å; M456-W458 VanDerWaalsContact O-N 3.1Å; M456-G460 WeakPolarHBondContact O-CA 3.42Å; M456-G460 PolarHBondContact O-N 3.45Å; M456-S461 WeakPolarHBondContact CE-OG 3.47Å
457	N	96.9	Very high	96.7	Very high	29 Å²	29	32.2 Å²	32.2	16%	0.155	16%	0.156	C	C	.	.	H	α-helix	trans	-67.5	-11.2	-177.4	-68.4	0.7	0	0	0	114.1	A370 G374 A375 S376 W455	A370-N457 VanDerWaalsContact CA-ND2 3.27Å; A370-N457 WeakPolarHBondContact CA-ND2 3.38Å; A370-N457 PolarHBondContact N-ND2 3.21Å; G374-N457 PolarHBondContact O-ND2 3.46Å; G374-N457 PolarHBondContact O-OD1 2.89Å; A375-N457 VanDerWaalsContact CA-OD1 3.28Å; A375-N457 WeakPolarHBondContact CA-OD1 3.44Å; S376-N457 PolarHBondContact N-OD1 3Å; S376-N457 PolarHBondContact OG-OD1 2.77Å; W455-N457 PolarHBondContact O-N 2.94Å; W455-N457 VanDerWaalsContact O-N 3.17Å
458	W	97.1	Very high	96.9	Very high	58 Å²	58	27.7 Å²	27.7	22%	0.22	14%	0.136	C	C	.	.	H	α-helix	trans	-111.7	-51.1	179	-177.6	40.3	0	0	0	113.6	M332 D334 D338 V340 W455 M456 M465	M332-W458 HydrophobicContact CB-CZ3 4.45Å; M332-W458 HydrophobicContact CG-CE3 3.85Å; M332-W458 HydrophobicContact CG-CZ3 3.74Å; M332-W458 HydrophobicContact SD-CE3 3.84Å; M332-W458 HydrophobicContact SD-CZ3 4.32Å; D334-W458 HydrophobicContact CB-CH2 3.54Å; D334-W458 HydrophobicContact CB-CZ2 4.22Å; D334-W458 HydrophobicContact CB-CZ3 4.11Å; D338-W458 HydrophobicContact CB-CH2 4.48Å; D338-W458 HydrophobicContact CB-CZ2 3.97Å; D338-W458 WeakPolarHBondContact O-CH2 3.26Å; V340-W458 HydrophobicContact CG1-CD2 4.18Å; V340-W458 HydrophobicContact CG1-CG 4.44Å; V340-W458 HydrophobicContact CG1-CZ2 3.9Å; V340-W458 HydrophobicContact CG2-CD2 3.5Å; V340-W458 HydrophobicContact CG2-CE3 3.59Å; V340-W458 HydrophobicContact CG2-CG 3.98Å; V340-W458 HydrophobicContact CG2-CH2 4.13Å; V340-W458 HydrophobicContact CG2-CZ2 4.09Å; V340-W458 HydrophobicContact CG2-CZ3 3.9Å; W455-W458 PolarHBondContact O-N 3.18Å; M456-W458 PolarHBondContact O-N 3.44Å; M456-W458 VanDerWaalsContact O-N 3.1Å; W458-M465 HydrophobicContact CE3-CE 3.54Å; W458-M465 HydrophobicContact CE3-SD 3.54Å; W458-M465 VanDerWaalsContact CE3-SD 3.54Å; W458-M465 HydrophobicContact CH2-SD 4.45Å; W458-M465 HydrophobicContact CZ3-CE 4Å; W458-M465 HydrophobicContact CZ3-SD 3.31Å; W458-M465 WeakPolarHBondContact CZ3-SD 3.47Å
459	K	96.6	Very high	97.2	Very high	67 Å²	67	26.7 Å²	26.7	29%	0.291	12%	0.122	S	C	.	.	H	α-helix	trans	-124.5	5.1	-174.4	-60.7	-73.4	-167.4	175.7	0	114.3	D334 W455 Y463 M465	D334-K459 VanDerWaalsContact OD2-CE 3.31Å; D334-K459 WeakPolarHBondContact OD2-CE 3.04Å; D334-K459 IonicContact OD2-NZ 3.73Å; D334-K459 PolarHBondContact OD2-NZ 2.96Å; W455-K459 PolarHBondContact O-N 2.93Å; K459-Y463 HydrophobicContact CB-CD1 3.63Å; K459-Y463 HydrophobicContact CB-CG 3.66Å; K459-Y463 HydrophobicContact CD-CD1 4.37Å; K459-Y463 HydrophobicContact CD-CE1 4.47Å; K459-Y463 HydrophobicContact CG-CD1 3.69Å; K459-Y463 HydrophobicContact CG-CE1 4.1Å; K459-Y463 HydrophobicContact CG-CG 4.12Å; K459-M465 HydrophobicContact CB-CE 3.92Å; K459-M465 HydrophobicContact CG-CE 3.85Å; K459-M465 HydrophobicContact CG-SD 4.38Å
460	G	95.2	Very high	97.4	Very high	11 Å²	11	25.5 Å²	25.5	11%	0.113	12%	0.115	C	C	.	.			trans	76.1	-175.1	-174.8	0	0	0	0	0	113.3	V454 M456	V454-G460 WeakPolarHBondContact CG1-O 3.32Å; M456-G460 WeakPolarHBondContact O-CA 3.42Å; M456-G460 PolarHBondContact O-N 3.45Å
461	S	96	Very high	97.5	Very high	17 Å²	17	24.2 Å²	24.2	12%	0.119	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-37.5	-175.6	-71.1	0	0	0	0	113.7	Y440 D450 V454 M456 Y463	Y440-S461 VanDerWaalsContact CE1-O 3.32Å; Y440-S461 WeakPolarHBondContact CE1-O 3.09Å; Y440-S461 VanDerWaalsContact CZ-O 3.22Å; Y440-S461 PolarHBondContact OH-O 2.75Å; D450-S461 WeakPolarHBondContact OD2-CB 3.38Å; D450-S461 PolarHBondContact OD2-OG 3.26Å; V454-S461 WeakPolarHBondContact CG2-O 3.36Å; M456-S461 WeakPolarHBondContact CE-OG 3.47Å; S461-Y463 VanDerWaalsContact C-N 3.27Å; S461-Y463 PolarHBondContact O-N 3.49Å
462	W	97.2	Very high	97.5	Very high	105 Å²	105	24.4 Å²	24.4	40%	0.398	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	30.7	-169.1	-58.6	112.6	0	0	0	113.6	Y440 W442	Y440-W462 AromaticContact CD2-CE3 3.99Å; Y440-W462 HydrophobicContact CD2-CE3 3.99Å; Y440-W462 HydrophobicContact CD2-CZ3 4.27Å; Y440-W462 VanDerWaalsContact CE1-C 3.41Å; Y440-W462 AromaticContact CE2-CE3 3.72Å; Y440-W462 HydrophobicContact CE2-CE3 3.72Å; Y440-W462 AromaticContact CE2-CZ3 3.89Å; Y440-W462 HydrophobicContact CE2-CZ3 3.89Å; Y440-W462 PolarHBondContact N-O 3.14Å; Y440-W462 WeakPolarHBondContact O-CB 3.4Å; W442-W462 VanDerWaalsContact CA-CH2 3.44Å; W442-W462 VanDerWaalsContact CA-CZ3 3.43Å; W442-W462 HydrophobicContact CB-CH2 3.43Å; W442-W462 VanDerWaalsContact CB-CH2 3.43Å; W442-W462 HydrophobicContact CB-CZ2 3.95Å; W442-W462 HydrophobicContact CB-CZ3 3.97Å
463	Y	98	Very high	97.5	Very high	24 Å²	24	26 Å²	26	9%	0.094	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-136.9	113.6	178.1	-165.2	-85.1	0	0	0	112.3	D334 W335 G438 L439 K459 S461 M465	D334-Y463 HydrophobicContact CB-CE1 3.79Å; D334-Y463 WeakPolarHBondContact CB-OH 3.17Å; W335-Y463 AromaticContact CD1-CZ 3.96Å; W335-Y463 PolarHBondContact N-OH 3.01Å; G438-Y463 CarbonylContact O-C 3.41Å; G438-Y463 WeakPolarHBondContact O-CA 3.32Å; L439-Y463 HydrophobicContact CD2-CD2 3.99Å; L439-Y463 HydrophobicContact CD2-CE2 4.48Å; L439-Y463 HydrophobicContact CG-CD2 4.36Å; L439-Y463 HydrophobicContact CG-CE2 4.45Å; K459-Y463 HydrophobicContact CB-CD1 3.63Å; K459-Y463 HydrophobicContact CB-CG 3.66Å; K459-Y463 HydrophobicContact CD-CD1 4.37Å; K459-Y463 HydrophobicContact CD-CE1 4.47Å; K459-Y463 HydrophobicContact CG-CD1 3.69Å; K459-Y463 HydrophobicContact CG-CE1 4.1Å; K459-Y463 HydrophobicContact CG-CG 4.12Å; S461-Y463 VanDerWaalsContact C-N 3.27Å; S461-Y463 PolarHBondContact O-N 3.49Å; Y463-M465 HydrophobicContact CD1-CE 4.05Å; Y463-M465 HydrophobicContact CD1-SD 3.85Å; Y463-M465 HydrophobicContact CE1-SD 3.97Å
464	S	98.1	Very high	97.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.125	C	C	.	.			trans	-89	129	175	-172.6	0	0	0	0	111.2	W335 Y435 G438 V453	W335-S464 PolarHBondContact NE1-O 2.67Å; Y435-S464 PolarHBondContact N-OG 2.9Å; G438-S464 WeakPolarHBondContact CA-O 3.44Å; G438-S464 PolarHBondContact O-N 2.81Å; V453-S464 PolarHBondContact N-OG 3.5Å; V453-S464 CarbonylContact O-C 3.56Å; V453-S464 WeakPolarHBondContact O-CA 3.39Å
465	M	98.3	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.136	C	C	.	.			trans	-67.6	150.8	178.4	-55.2	-50	158.9	0	0	111.9	M332 V453 W455 W458 K459 Y463 M468	M332-M465 HydrophobicContact CB-CG 4.29Å; V453-M465 HydrophobicContact CG1-CB 4.13Å; V453-M465 WeakPolarHBondContact O-CG 3.15Å; V453-M465 PolarHBondContact O-N 2.96Å; W455-M465 HydrophobicContact CB-CE 3.94Å; W458-M465 HydrophobicContact CE3-CE 3.54Å; W458-M465 HydrophobicContact CE3-SD 3.54Å; W458-M465 VanDerWaalsContact CE3-SD 3.54Å; W458-M465 HydrophobicContact CH2-SD 4.45Å; W458-M465 HydrophobicContact CZ3-CE 4Å; W458-M465 HydrophobicContact CZ3-SD 3.31Å; W458-M465 WeakPolarHBondContact CZ3-SD 3.47Å; K459-M465 HydrophobicContact CB-CE 3.92Å; K459-M465 HydrophobicContact CG-CE 3.85Å; K459-M465 HydrophobicContact CG-SD 4.38Å; Y463-M465 HydrophobicContact CD1-CE 4.05Å; Y463-M465 HydrophobicContact CD1-SD 3.85Å; Y463-M465 HydrophobicContact CE1-SD 3.97Å; M465-M468 HydrophobicContact CG-CE 4Å
466	R	98.1	Very high	96.1	Very high	69 Å²	69	35.8 Å²	35.8	26%	0.26	16%	0.161	S	C	.	.	S	Bend	trans	-81	-43.5	173.8	-177.5	174.3	67.7	-172.2	2.7	111	Q274 E333 D334 W335 Y434	Q274-R466 CarbonylContact C-O 3.59Å; Q274-R466 WeakPolarHBondContact CA-O 3.39Å; E333-R466 PolarHBondContact O-N 3.03Å; E333-R466 IonicContact OE1-CZ 3.33Å; E333-R466 IonicContact OE1-NE 3.72Å; E333-R466 IonicContact OE1-NH2 2.77Å; E333-R466 PolarHBondContact OE1-NH2 2.8Å; D334-R466 PolarHBondContact O-NE 3.15Å; W335-R466 HydrophobicContact CD2-CB 3.85Å; W335-R466 HydrophobicContact CD2-CG 4.12Å; W335-R466 HydrophobicContact CE3-CB 4.42Å; W335-R466 HydrophobicContact CE3-CG 4.18Å; W335-R466 HydrophobicContact CG-CB 4Å; W335-R466 HydrophobicContact CH2-CG 4.39Å; W335-R466 HydrophobicContact CZ2-CB 4.28Å; W335-R466 HydrophobicContact CZ2-CG 4.34Å; W335-R466 HydrophobicContact CZ3-CG 4.32Å; W335-R466 PolarHBondContact O-NH1 3.12Å; Y434-R466 WeakPolarHBondContact CE2-O 3.44Å; Y434-R466 PolarHBondContact OH-O 3Å
467	K	98	Very high	94.6	Very high	92 Å²	92	39.2 Å²	39.2	40%	0.4	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.9	170.9	-52.3	-170.6	-175.2	171.1	0	110.1	R273 Q274 M332 E333	R273-K467 VanDerWaalsContact O-CA 3.3Å; R273-K467 WeakPolarHBondContact O-CA 3.45Å; Q274-K467 HydrophobicContact CB-CG 4.33Å; M332-K467 CarbonylContact C-O 3.47Å; M332-K467 VanDerWaalsContact CA-O 3.23Å; M332-K467 WeakPolarHBondContact CA-O 3.37Å; E333-K467 HydrophobicContact CB-CB 3.87Å; E333-K467 HydrophobicContact CB-CG 4.28Å; E333-K467 PolarHBondContact N-O 2.73Å; E333-K467 PolarHBondContact O-N 3.19Å; E333-K467 VanDerWaalsContact O-N 3.11Å; E333-K467 WeakPolarHBondContact OE2-CD 3.2Å; E333-K467 IonicContact OE2-NZ 2.66Å
468	M	98.2	Very high	92.9	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	127.8	175.1	176.4	66.3	71.9	0	0	106.9	Q271 N272 R273 I330 E331 M332 P430 V453 W455 M465	Q271-M468 PolarHBondContact OE1-O 2.75Å; N272-M468 CarbonylContact C-O 3.55Å; N272-M468 WeakPolarHBondContact CA-O 3.31Å; R273-M468 HydrophobicContact CB-CB 4.14Å; R273-M468 HydrophobicContact CG-CB 4.19Å; R273-M468 PolarHBondContact N-O 3.36Å; R273-M468 PolarHBondContact O-N 3.3Å; I330-M468 HydrophobicContact CG2-SD 3.63Å; E331-M468 CarbonylContact O-C 3.53Å; E331-M468 WeakPolarHBondContact O-CA 3.39Å; M332-M468 HydrophobicContact CB-CE 3.68Å; M332-M468 HydrophobicContact CB-SD 3.91Å; M332-M468 HydrophobicContact CE-CE 3.98Å; M332-M468 HydrophobicContact CE-SD 4.16Å; M332-M468 HydrophobicContact CG-CE 4.46Å; M332-M468 HydrophobicContact SD-CE 4.05Å; P430-M468 HydrophobicContact CB-CG 3.85Å; P430-M468 HydrophobicContact CB-SD 4.32Å; V453-M468 HydrophobicContact CG1-CB 3.82Å; V453-M468 HydrophobicContact CG1-CE 4.24Å; V453-M468 HydrophobicContact CG1-CG 4.16Å; W455-M468 HydrophobicContact CE3-CE 4.42Å; M465-M468 HydrophobicContact CG-CE 4Å
469	S	98.1	Very high	89.9	Confident	18 Å²	18	57 Å²	57	13%	0.126	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145.9	177.5	66.3	0	0	0	0	110.4	Q271 I330 E331	Q271-S469 WeakPolarHBondContact O-CA 3.39Å; I330-S469 VanDerWaalsContact CA-O 3.28Å; I330-S469 WeakPolarHBondContact CA-O 3.42Å; E331-S469 PolarHBondContact N-O 2.66Å; E331-S469 PolarHBondContact O-N 3.33Å
470	M	98.4	Very high	89.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.8	171.5	-57.6	177	63.8	0	0	107.9	I270 Q271 W311 L328 I330 W420 W421	I270-M470 HydrophobicContact CD1-CB 4.22Å; I270-M470 HydrophobicContact CD1-CE 4.36Å; I270-M470 HydrophobicContact CG1-CB 3.79Å; I270-M470 VanDerWaalsContact CG1-O 3.26Å; I270-M470 WeakPolarHBondContact CG1-O 3.18Å; I270-M470 PolarHBondContact N-O 2.94Å; Q271-M470 HydrophobicContact CB-CB 3.89Å; Q271-M470 HydrophobicContact CB-CG 4.01Å; Q271-M470 HydrophobicContact CB-SD 4Å; Q271-M470 HydrophobicContact CG-SD 4.43Å; Q271-M470 PolarHBondContact N-O 2.79Å; Q271-M470 PolarHBondContact O-N 3.08Å; W311-M470 HydrophobicContact CZ3-SD 4.43Å; L328-M470 HydrophobicContact CD1-CB 4.13Å; L328-M470 HydrophobicContact CD1-CE 4.08Å; L328-M470 HydrophobicContact CD2-CE 4.12Å; I330-M470 HydrophobicContact CD1-CE 4.29Å; I330-M470 HydrophobicContact CD1-CG 4.46Å; I330-M470 HydrophobicContact CG1-CG 4.16Å; I330-M470 HydrophobicContact CG2-CG 4.42Å; W420-M470 HydrophobicContact CH2-CE 3.96Å; W420-M470 HydrophobicContact CH2-SD 3.74Å; W420-M470 HydrophobicContact CZ3-CE 4.38Å; W420-M470 HydrophobicContact CZ3-SD 3.88Å; W421-M470 HydrophobicContact CH2-CE 4.39Å; W421-M470 HydrophobicContact CZ3-CE 4.08Å
471	K	97.8	Very high	89.3	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.7	-179.8	64.8	-177.2	109.3	174.1	0	110.9	D259 T262 W267 T268 V269 L329 E331	D259-K471 IonicContact OD2-NZ 2.66Å; D259-K471 PolarHBondContact OD2-NZ 2.88Å; T262-K471 PolarHBondContact OG1-NZ 2.77Å; W267-K471 HydrophobicContact CB-CB 4.06Å; W267-K471 HydrophobicContact CB-CD 3.56Å; W267-K471 HydrophobicContact CB-CG 3.99Å; W267-K471 HydrophobicContact CD2-CD 3.81Å; W267-K471 HydrophobicContact CD2-CG 3.86Å; W267-K471 HydrophobicContact CE3-CB 4.23Å; W267-K471 HydrophobicContact CE3-CD 4.14Å; W267-K471 HydrophobicContact CE3-CG 3.64Å; W267-K471 HydrophobicContact CG-CD 3.56Å; W267-K471 HydrophobicContact CG-CG 4.04Å; W267-K471 HydrophobicContact CZ3-CG 4.4Å; T268-K471 CarbonylContact O-C 3.46Å; T268-K471 VanDerWaalsContact O-CA 3.29Å; T268-K471 WeakPolarHBondContact O-CA 3.32Å; V269-K471 HydrophobicContact CG2-CB 4.12Å; L329-K471 HydrophobicContact CB-CG 3.92Å; L329-K471 HydrophobicContact CD2-CD 4.09Å; L329-K471 HydrophobicContact CD2-CG 4.35Å; L329-K471 HydrophobicContact CG-CG 4.38Å; L329-K471 PolarHBondContact N-O 2.97Å; L329-K471 PolarHBondContact O-N 3.43Å; E331-K471 WeakPolarHBondContact OE2-CE 3.28Å; E331-K471 IonicContact OE2-NZ 3.61Å; E331-K471 PolarHBondContact OE2-NZ 2.97Å
472	I	97.8	Very high	88.9	Confident	5 Å²	5	61.2 Å²	61.2	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.6	-175	63.3	175.4	0	0	0	111.5	T268 I270 L320 T321 T326 E327 L328 F347	T268-I472 PolarHBondContact N-O 3.06Å; T268-I472 PolarHBondContact O-N 2.98Å; I270-I472 HydrophobicContact CD1-CG2 3.8Å; I270-I472 HydrophobicContact CG1-CG2 4.39Å; I270-I472 HydrophobicContact CG2-CD1 3.79Å; I270-I472 HydrophobicContact CG2-CG1 3.85Å; L320-I472 HydrophobicContact CB-CD1 3.77Å; L320-I472 HydrophobicContact CD1-CD1 4.07Å; T321-I472 HydrophobicContact CG2-CD1 4.31Å; T326-I472 HydrophobicContact CG2-CB 3.75Å; T326-I472 HydrophobicContact CG2-CD1 4.26Å; T326-I472 HydrophobicContact CG2-CG1 4.41Å; T326-I472 HydrophobicContact CG2-CG2 4.31Å; E327-I472 VanDerWaalsContact O-CA 3.23Å; E327-I472 WeakPolarHBondContact O-CA 3.22Å; L328-I472 HydrophobicContact CB-CG2 4.34Å; L328-I472 HydrophobicContact CD1-CG2 3.77Å; F347-I472 HydrophobicContact CD1-CG2 3.68Å; F347-I472 HydrophobicContact CE1-CG2 3.76Å
473	R	95.4	Very high	88.4	Confident	33 Å²	33	58.6 Å²	58.6	13%	0.125	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149.3	176.9	-172.4	172	64.3	-171.5	-3	110.1	E230 E263 G265 W267 T326 E327 F475	E230-R473 HydrophobicContact CB-CG 4.15Å; E263-R473 PolarHBondContact O-NH1 2.89Å; G265-R473 WeakPolarHBondContact O-CD 3.49Å; G265-R473 PolarHBondContact O-NH1 3.16Å; W267-R473 HydrophobicContact CD2-CB 4.09Å; W267-R473 HydrophobicContact CE3-CB 3.61Å; W267-R473 HydrophobicContact CH2-CB 4.28Å; W267-R473 HydrophobicContact CZ3-CB 3.72Å; T326-R473 CarbonylContact C-O 3.54Å; T326-R473 WeakPolarHBondContact CA-O 3.5Å; E327-R473 HydrophobicContact CG-CB 4.07Å; E327-R473 VanDerWaalsContact CG-O 3.28Å; E327-R473 WeakPolarHBondContact CG-O 2.9Å; E327-R473 PolarHBondContact N-O 3.13Å; E327-R473 PolarHBondContact O-N 3.5Å; E327-R473 IonicContact OE1-CZ 3.81Å; E327-R473 IonicContact OE1-NE 3.28Å; E327-R473 PolarHBondContact OE1-NE 3.27Å; E327-R473 IonicContact OE1-NH2 2.61Å; E327-R473 PolarHBondContact OE1-NH2 2.93Å; R473-F475 PolarHBondContact O-N 2.87Å
474	P	94.3	Very high	87.8	Confident	32 Å²	32	60.8 Å²	60.8	21%	0.208	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	130.1	170.2	-25	35.2	0	0	0	111.6	E228 E230 F476	E228-P474 HydrophobicContact CG-CG 4.14Å; E228-P474 WeakPolarHBondContact OE2-CD 3.46Å; E230-P474 HydrophobicContact CB-CG 4.21Å; E230-P474 HydrophobicContact CG-CG 4.43Å; P474-F476 HydrophobicContact CB-CE2 4.14Å; P474-F476 HydrophobicContact CB-CZ 4.1Å
475	F	89.4	Confident	87.2	Confident	53 Å²	53	64.8 Å²	64.8	23%	0.232	31%	0.308	C	S	.	.			trans	-93.4	122.9	176.5	-176.2	-103.4	0	0	0	110.3	P325 E327 R473 P477	P325-F475 HydrophobicContact CB-CB 4.28Å; P325-F475 PolarHBondContact O-N 2.89Å; E327-F475 HydrophobicContact CB-CB 4.17Å; E327-F475 HydrophobicContact CB-CD2 4.22Å; E327-F475 HydrophobicContact CG-CB 4.28Å; E327-F475 HydrophobicContact CG-CD2 4.4Å; R473-F475 PolarHBondContact O-N 2.87Å; F475-P477 HydrophobicContact CD1-CG 4.14Å; F475-P477 HydrophobicContact CE1-CB 4.1Å; F475-P477 HydrophobicContact CE1-CG 3.96Å
476	F	81.4	Confident	86.4	Confident	121 Å²	121	69.4 Å²	69.4	53%	0.531	33%	0.33	S	S	.	.			trans	-105.7	108.2	171.2	-59	-72.7	0	0	0	108.3	P474 Q478	P474-F476 HydrophobicContact CB-CE2 4.14Å; P474-F476 HydrophobicContact CB-CZ 4.1Å; F476-Q478 PolarHBondContact O-N 3.34Å
477	P	67.3	Low	85.5	Confident	85 Å²	85	69.5 Å²	69.5	55%	0.552	34%	0.336	S	S	*	.			trans	-56.2	125.8	175.2	-18.1	28.4	0	0	0	109	F475 Q479	F475-P477 HydrophobicContact CD1-CG 4.14Å; F475-P477 HydrophobicContact CE1-CB 4.1Å; F475-P477 HydrophobicContact CE1-CG 3.96Å; P477-Q479 PolarHBondContact O-N 3.29Å; P477-Q479 VanDerWaalsContact O-N 3.12Å
478	Q	59.9	Low	84.4	Confident	194 Å²	194	67.6 Å²	67.6	91%	0.907	33%	0.33	S	S	*	.			trans	-61.9	116.1	169	-68.7	180	-10.2	0	0	107.2	F476	F476-Q478 PolarHBondContact O-N 3.34Å
479	Q	35	Very low	83.2	Confident	266 Å²	266	73.7 Å²	73.7	100%	1.243	36%	0.361	S	S	*	.			trans	-68.2	0	175.6	-84.6	-177.3	-7.5	0	0	111.6	P477	P477-Q479 PolarHBondContact O-N 3.29Å; P477-Q479 VanDerWaalsContact O-N 3.12Å

Retrieved 479 of 479 residues in 125.3 ms (Link to these results)

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