A0A087XFR3_POEFO Loading...

Glycine--tRNA ligase

Catalyzes the ATP-dependent ligation of glycine to the 3'-end of its cognate tRNA, via the formation of an aminoacyl-adenylate intermediate (Gly-AMP). Also produces diadenosine tetraphosphate (Ap4A), a universal pleiotropic signaling molecule needed for cell regulation pathways, by direct condensation of 2 ATPs. Thereby, may play a special role in Ap4A homeostasis.

AlphaFold DB , UniProt , Accession A0A087XFR3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 751 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	28.9	Very low	236 Å²	236	148.9 Å²	148.9	100%	1.163	86%	0.86	S	S	*	*				0	79.9	0	-77.3	-179.5	159.4	0	0	107
2	L	26.6	Very low	28.7	Very low	154 Å²	154	149 Å²	149	81%	0.806	85%	0.854	S	S	*	*				60.2	111.7	54.2	-94.3	151	0	0	0	113.1
3	L	28.1	Very low	28.5	Very low	146 Å²	146	155.8 Å²	155.8	76%	0.764	86%	0.857	S	S	*	*			trans	74.1	125.2	152	-63.5	152.3	0	0	0	115.5
4	L	31.5	Very low	28.4	Very low	164 Å²	164	155.1 Å²	155.1	86%	0.859	86%	0.86	S	S	*	*			cis	-145.4	132.9	34	-81.4	103.3	0	0	0	113.3
5	R	31.4	Very low	28.2	Very low	242 Å²	242	154 Å²	154	91%	0.913	86%	0.859	S	S	*	*			trans	-105.1	144.5	146.5	-80	-178.6	172.7	-164.9	-1.5	106.8
6	S	29.5	Very low	28.1	Very low	121 Å²	121	153.6 Å²	153.6	85%	0.846	86%	0.862	S	S	*	*				153.2	148.3	128.1	-172	0	0	0	0	113.7
7	A	27.6	Very low	28	Very low	94 Å²	94	154.9 Å²	154.9	78%	0.777	86%	0.86	S	S	*	*			trans	85.5	119.5	165	0	0	0	0	0	116.4
8	A	25.5	Very low	28	Very low	102 Å²	102	154.8 Å²	154.8	84%	0.843	86%	0.856	S	S	*	*			cis	-158.3	132.5	12.6	0	0	0	0	0	112.6
9	S	24.9	Very low	28.4	Very low	128 Å²	128	152.6 Å²	152.6	90%	0.895	85%	0.849	S	S	*	*			trans	-101.7	131.1	148.4	-80.9	0	0	0	0	107.6
10	A	27.9	Very low	28.3	Very low	92 Å²	92	150.3 Å²	150.3	76%	0.76	84%	0.844	S	S	*	*			trans	179.2	118.2	146.3	0	0	0	0	0	111.3
11	L	26.5	Very low	28.2	Very low	159 Å²	159	151.6 Å²	151.6	83%	0.832	85%	0.848	S	S	*	*			trans	167.5	87.3	144.2	-93.3	146	0	0	0	107.4
12	L	26.6	Very low	27.7	Very low	150 Å²	150	151 Å²	151	79%	0.785	83%	0.833	S	S	*	*				66.6	95.8	100.7	-78.3	154.6	0	0	0	112.5
13	R	26.4	Very low	28	Very low	237 Å²	237	149.3 Å²	149.3	89%	0.894	83%	0.831	S	S	*	*				46.2	108.7	90.7	-77.1	-168.4	-175	-163	2	114.5
14	T	26.6	Very low	27.9	Very low	147 Å²	147	149 Å²	149	90%	0.902	83%	0.83	S	S	*	*			trans	-147	126.3	139.8	38.5	0	0	0	0	110.2
15	T	25.5	Very low	27.7	Very low	138 Å²	138	151.1 Å²	151.1	85%	0.847	83%	0.832	S	S	*	*			trans	-96.8	143.2	172.9	36.8	0	0	0	0	109.6
16	T	27	Very low	27.5	Very low	148 Å²	148	145.4 Å²	145.4	91%	0.908	82%	0.824	S	S	*	*			trans	-149	117	154.8	30.1	0	0	0	0	110.6
17	E	26.1	Very low	27.4	Very low	176 Å²	176	143.6 Å²	143.6	82%	0.822	82%	0.817	S	S	*	*			trans	-79	159.6	163.6	-69.7	-179.6	153.3	0	0	110.3
18	I	28.4	Very low	27.3	Very low	153 Å²	153	149.8 Å²	149.8	79%	0.785	82%	0.82	S	S	*	*				145.7	155.4	113.1	-69.4	173.6	0	0	0	106.3
19	P	35.7	Very low	27.3	Very low	113 Å²	113	152.4 Å²	152.4	73%	0.734	81%	0.812	S	S	*	*			cis	-130.6	177.5	-33.1	36.9	-18.2	0	0	0	114.8
20	S	26.2	Very low	27.5	Very low	106 Å²	106	151.6 Å²	151.6	74%	0.741	80%	0.802	S	S	*	*			trans	-52.4	155	165.9	57.1	0	0	0	0	118.4
21	L	26.6	Very low	27.4	Very low	177 Å²	177	158.3 Å²	158.3	93%	0.927	81%	0.808	S	S	*	*			trans	-152.4	123.8	147.6	-100.8	156.9	0	0	0	111.4
22	R	27.3	Very low	27.4	Very low	223 Å²	223	157.9 Å²	157.9	84%	0.842	81%	0.805	S	S	*	*			trans	-88.4	159.7	162.5	-76.9	-176.3	174.4	-172	-0.8	109.5
23	P	33.4	Very low	27.4	Very low	120 Å²	120	155.7 Å²	155.7	78%	0.779	80%	0.803	S	S	*	*				-142.1	137	99.2	26.7	-6.8	0	0	0	112.7
24	L	26.3	Very low	27.4	Very low	140 Å²	140	151.4 Å²	151.4	73%	0.733	80%	0.797	S	S	*	*				50	109.6	90.4	-88.9	162.1	0	0	0	115.3
25	F	26.2	Very low	27.5	Very low	208 Å²	208	155.1 Å²	155.1	91%	0.912	79%	0.794	S	S	*	*				-161.8	143.7	129.3	-103.5	-74.9	0	0	0	112.2
26	T	27	Very low	27.4	Very low	121 Å²	121	157.2 Å²	157.2	74%	0.742	79%	0.794	S	S	*	*			trans	-67.5	171.2	176.8	43.4	0	0	0	0	112.1
27	A	26.8	Very low	28.1	Very low	83 Å²	83	155.4 Å²	155.4	69%	0.686	79%	0.785	S	S	*	*			cis	-170.4	159.4	29.4	0	0	0	0	0	111.4
28	R	27.1	Very low	29.3	Very low	224 Å²	224	153 Å²	153	85%	0.845	79%	0.785	S	S	*	*				41	144.8	129.4	-77.1	178	167.9	-162.5	0.9	119.9
29	F	25.4	Very low	29.2	Very low	157 Å²	157	149 Å²	149	69%	0.689	78%	0.781	S	S	*	*			cis	-179.8	160.4	16.7	-130.5	-53.8	0	0	0	110.3
30	V	27.6	Very low	28.7	Very low	111 Å²	111	155.3 Å²	155.3	67%	0.673	79%	0.79	S	S	*	*			trans	65.3	120.7	150.4	-172.4	0	0	0	0	118.6
31	R	26.5	Very low	28.7	Very low	234 Å²	234	161.7 Å²	161.7	88%	0.883	80%	0.798	S	S	*	*			cis	86.7	126.6	49.6	-141.2	-171.7	-157.2	-163.9	6.2	115
32	L	26.5	Very low	29.3	Very low	149 Å²	149	157.8 Å²	157.8	78%	0.78	78%	0.783	S	S	*	*			trans	144.8	115.3	150.7	-98.5	99.3	0	0	0	107.4
33	S	26	Very low	29.2	Very low	105 Å²	105	156.9 Å²	156.9	73%	0.734	79%	0.786	S	S	*	*			cis	76.7	118.6	40.4	-145.3	0	0	0	0	115.4
34	L	27.6	Very low	28.8	Very low	147 Å²	147	156.4 Å²	156.4	77%	0.77	79%	0.786	S	S	*	*			trans	152.2	105.9	140	-80	161.3	0	0	0	109.8
35	R	27.4	Very low	28.7	Very low	224 Å²	224	153.9 Å²	153.9	85%	0.845	79%	0.785	S	S	*	*				68.6	103.7	87.5	-79.5	-169.1	177.4	-164.4	-0.3	116.1
36	H	25.1	Very low	28.7	Very low	182 Å²	182	150 Å²	150	84%	0.843	78%	0.784	S	S	*	*				47	162	114.5	-89.8	-1.7	0	0	0	122
37	P	41.1	Very low	28.6	Very low	110 Å²	110	150.9 Å²	150.9	71%	0.714	79%	0.788	S	S	*	*			cis	-145.9	-138.5	-17.8	43.4	-18.9	0	0	0	113.2
38	P	51.8	Low	28.4	Very low	126 Å²	126	152.4 Å²	152.4	82%	0.818	79%	0.794	S	S	*	*			trans	-132.3	-170.9	-130	34.4	-6.6	0	0	0	116.2
39	G	25.7	Very low	28.2	Very low	69 Å²	69	148.9 Å²	148.9	71%	0.711	79%	0.791	S	S	*	*			trans	-178.9	108.2	163.5	0	0	0	0	0	112.8
40	R	25.9	Very low	28	Very low	246 Å²	246	146.4 Å²	146.4	93%	0.928	79%	0.792	S	S	*	*				62.3	103.2	94	-79.2	-166.7	179.8	-156	1.7	117.2
41	R	24.8	Very low	27.8	Very low	239 Å²	239	148.4 Å²	148.4	90%	0.902	80%	0.799	S	S	*	*				51.8	167.3	119.9	-84.5	-168.3	-161.8	-163.4	6	119.9
42	P	39.6	Very low	28	Very low	96 Å²	96	146.7 Å²	146.7	62%	0.623	80%	0.798	S	S	*	*			cis	-147.6	-172.3	-6.1	37.3	-14.3	0	0	0	118.1
43	F	25.3	Very low	27.8	Very low	203 Å²	203	149.4 Å²	149.4	89%	0.89	80%	0.804	S	S	*	*			trans	63.6	147.3	148.8	-75.2	-69	0	0	0	118.9
44	S	24.6	Very low	28.1	Very low	111 Å²	111	153.9 Å²	153.9	78%	0.776	81%	0.813	S	S	*	*			cis	-171	159.6	42.9	149.8	0	0	0	0	111.1
45	A	25.6	Very low	28	Very low	87 Å²	87	158.1 Å²	158.1	72%	0.719	82%	0.819	S	S	*	*			trans	-79.5	162.3	177.2	0	0	0	0	0	114.9
46	S	25.1	Very low	27.9	Very low	126 Å²	126	152.3 Å²	152.3	88%	0.881	81%	0.812	S	S	*	*			trans	-169.4	152.2	140.1	48.2	0	0	0	0	112.8
47	V	24.9	Very low	27.8	Very low	139 Å²	139	152 Å²	152	84%	0.842	82%	0.816	S	S	*	*			trans	-104.4	142.8	-169.8	167.9	0	0	0	0	109.6
48	S	22.8	Very low	27.1	Very low	115 Å²	115	157.7 Å²	157.7	80%	0.804	82%	0.823	S	S	*	*			trans	-170.5	121.9	145.8	-179.2	0	0	0	0	114.9
49	L	23.4	Very low	26	Very low	150 Å²	150	159.8 Å²	159.8	79%	0.785	83%	0.827	S	S	*	*			trans	-21.2	140	158.7	-77.8	139.9	0	0	0	122.9
50	C	21.5	Very low	26	Very low	106 Å²	106	165.5 Å²	165.5	72%	0.716	84%	0.835	S	S	*	*			trans	69.3	110.7	133	-126.4	0	0	0	0	121.8
51	N	23	Very low	26	Very low	153 Å²	153	162.4 Å²	162.4	82%	0.818	84%	0.836	S	S	*	*				175.7	150.5	96.4	-110.7	-34.4	0	0	0	113.8
52	K	29.3	Very low	26.2	Very low	198 Å²	198	159.5 Å²	159.5	86%	0.861	83%	0.83	S	S	*	*			trans	-54.1	140.2	-174.6	-69	169.4	173.3	174.5	0	115.7
53	K	23.8	Very low	25.7	Very low	206 Å²	206	164.6 Å²	164.6	90%	0.896	85%	0.845	S	S	*	*			trans	-164.5	129.5	135.7	-110.5	171.2	-175.9	179.7	0	111.3	R55	K53-R55 PolarHBondContact O-N 3.42Å
54	Q	32.8	Very low	25.8	Very low	199 Å²	199	158.8 Å²	158.8	93%	0.93	84%	0.842	S	S	*	*			trans	-47.3	127.6	171.8	-80.7	165	-53.6	0	0	111.5
55	R	24.1	Very low	25.8	Very low	236 Å²	236	160 Å²	160	89%	0.891	84%	0.836	S	S	*	*			trans	-149.7	136.1	156	-111.5	175.8	-179.7	-178	-1.4	109.8	K53 L57	K53-R55 PolarHBondContact O-N 3.42Å; R55-L57 PolarHBondContact O-N 2.67Å
56	S	25.3	Very low	25.9	Very low	101 Å²	101	161.7 Å²	161.7	71%	0.706	84%	0.838	S	S	*	*			trans	-40.1	122.4	179.8	52	0	0	0	0	113.9	W58	S56-W58 PolarHBondContact O-N 3.47Å
57	L	23.4	Very low	26.2	Very low	176 Å²	176	165.3 Å²	165.3	92%	0.921	84%	0.843	S	S	*	*			trans	-84.2	63	175.8	-143.6	87.1	0	0	0	110.4	R55	R55-L57 PolarHBondContact O-N 2.67Å
58	W	26.2	Very low	26.6	Very low	230 Å²	230	161.4 Å²	161.4	87%	0.871	83%	0.83	S	S	*	*			trans	-110	128.3	154	-78.9	88.3	0	0	0	105.4	S56	S56-W58 PolarHBondContact O-N 3.47Å
59	L	29.1	Very low	27.5	Very low	169 Å²	169	162.1 Å²	162.1	89%	0.885	83%	0.826	S	S	*	*	S	Bend	trans	88	80.5	-176.4	-60.1	135.2	0	0	0	116
60	Q	25.5	Very low	28.6	Very low	190 Å²	190	158.1 Å²	158.1	89%	0.888	82%	0.821	S	S	*	*				-172.5	97.1	128.7	-106.6	172.1	-6.5	0	0	109.3
61	L	25.7	Very low	30.3	Very low	181 Å²	181	157.9 Å²	157.9	95%	0.948	81%	0.812	S	S	*	*			trans	-164.1	100.4	153.1	-99.7	162	0	0	0	106.8
62	K	29.7	Very low	32.7	Very low	178 Å²	178	154.6 Å²	154.6	77%	0.774	79%	0.791	S	S	*	*			trans	-133.3	115.3	157.9	-101.1	-166.3	176.1	-173.4	0	106
63	E	28.3	Very low	35	Very low	202 Å²	202	150.1 Å²	150.1	94%	0.944	77%	0.773	S	S	*	*	S	Bend	trans	-173.2	113.4	130.4	-104	172.7	-173.4	0	0	108.1
64	G	26.7	Very low	37.6	Very low	81 Å²	81	147.6 Å²	147.6	84%	0.835	76%	0.764	S	S	*	*			trans	136.1	33.2	-171.9	0	0	0	0	0	114.3
65	Q	26.3	Very low	40	Very low	137 Å²	137	141.2 Å²	141.2	64%	0.64	74%	0.736	S	S	*	*			trans	-102.5	107.1	165.2	-89.1	-179	-35.4	0	0	108.6
66	T	27.3	Very low	42.9	Very low	123 Å²	123	130.5 Å²	130.5	76%	0.755	70%	0.696	S	S	*	*			trans	-56.5	129.5	157.1	35.6	0	0	0	0	109	G68	T66-G68 PolarHBondContact O-N 2.69Å; T66-G68 VanDerWaalsContact O-N 3.13Å
67	M	30.8	Very low	45.7	Very low	202 Å²	202	127.8 Å²	127.8	100%	0.995	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	111.7	175.8	-71.4	-155.2	-85.4	0	0	110
68	G	33.5	Very low	48.6	Very low	56 Å²	56	123.4 Å²	123.4	58%	0.577	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	177.2	-15	178.1	0	0	0	0	0	116.9	T66 G70	T66-G68 PolarHBondContact O-N 2.69Å; T66-G68 VanDerWaalsContact O-N 3.13Å; G68-G70 VanDerWaalsContact C-N 3.31Å; G68-G70 PolarHBondContact O-N 3.26Å; G68-G70 VanDerWaalsContact O-N 3.09Å
69	D	42.1	Very low	51.4	Low	131 Å²	131	114.7 Å²	114.7	70%	0.701	63%	0.632	S	S	*	*			trans	-86	32.2	-169.2	-76.9	-21.5	0	0	0	116.4
70	G	46.6	Very low	54	Low	66 Å²	66	108.6 Å²	108.6	68%	0.68	60%	0.597	S	S	*	*	S	Bend	trans	-96.9	-2.8	-168.2	0	0	0	0	0	118.5	G68	G68-G70 VanDerWaalsContact C-N 3.31Å; G68-G70 PolarHBondContact O-N 3.26Å; G68-G70 VanDerWaalsContact O-N 3.09Å
71	N	57.7	Low	56.7	Low	101 Å²	101	103.7 Å²	103.7	54%	0.54	57%	0.574	S	S	.	*	S	Bend	trans	-145.6	-10.7	-166.4	-151.4	-4.6	0	0	0	115.9	I75	N71-I75 VanDerWaalsContact O-CD1 3.3Å; N71-I75 WeakPolarHBondContact O-CD1 3.3Å; N71-I75 WeakPolarHBondContact O-CG1 3.41Å
72	F	72.3	Confident	59.4	Low	84 Å²	84	96.4 Å²	96.4	37%	0.368	54%	0.54	S	S	.	.	H	α-helix	trans	-80.9	-41.5	-176	-61.7	-58.8	0	0	0	112.9	E74 I75 L76 L124	F72-E74 VanDerWaalsContact C-N 3.35Å; F72-E74 PolarHBondContact O-N 3.02Å; F72-I75 PolarHBondContact O-N 3.29Å; F72-I75 VanDerWaalsContact O-N 3.16Å; F72-L76 WeakPolarHBondContact O-CG 3.3Å; F72-L76 PolarHBondContact O-N 3.16Å; F72-L124 HydrophobicContact CD1-CB 3.78Å; F72-L124 HydrophobicContact CD1-CD1 4.17Å; F72-L124 HydrophobicContact CD1-CD2 4.06Å; F72-L124 HydrophobicContact CD1-CG 4.21Å; F72-L124 HydrophobicContact CE1-CB 3.93Å; F72-L124 HydrophobicContact CE1-CD2 4.18Å; F72-L124 VanDerWaalsContact CE1-O 3.26Å; F72-L124 WeakPolarHBondContact CE1-O 3.4Å
73	E	77.4	Confident	62	Low	104 Å²	104	88 Å²	88	49%	0.486	50%	0.504	S	S	.	.	H	α-helix	trans	-68.8	-33.7	-176.4	-164.8	62.4	-155.6	0	0	112	I75 L76 A77 R80	E73-I75 PolarHBondContact O-N 2.84Å; E73-L76 PolarHBondContact O-N 3.18Å; E73-A77 WeakPolarHBondContact O-CB 3.21Å; E73-A77 PolarHBondContact O-N 3.11Å; E73-R80 IonicContact OE1-CZ 3.88Å; E73-R80 IonicContact OE1-NH1 2.77Å; E73-R80 PolarHBondContact OE1-NH1 2.67Å; E73-R80 IonicContact OE2-CZ 2.87Å; E73-R80 IonicContact OE2-NH1 2.78Å; E73-R80 PolarHBondContact OE2-NH1 3.18Å; E73-R80 VanDerWaalsContact OE2-NH1 3.14Å
74	E	78.4	Confident	64.6	Low	153 Å²	153	82.5 Å²	82.5	72%	0.715	48%	0.477	S	S	*	.	H	α-helix	trans	-62	-33.4	173.7	-69.5	-171.9	171.3	0	0	112.3	F72 P78	F72-E74 VanDerWaalsContact C-N 3.35Å; F72-E74 PolarHBondContact O-N 3.02Å; E74-P78 WeakPolarHBondContact O-CD 3.42Å
75	I	82.9	Confident	67.3	Low	64 Å²	64	83.7 Å²	83.7	33%	0.328	46%	0.461	S	S	.	.	H	α-helix	trans	-78.6	-35.7	178	-61	170	0	0	0	111.3	N71 F72 E73 K120 L124	N71-I75 VanDerWaalsContact O-CD1 3.3Å; N71-I75 WeakPolarHBondContact O-CD1 3.3Å; N71-I75 WeakPolarHBondContact O-CG1 3.41Å; F72-I75 PolarHBondContact O-N 3.29Å; F72-I75 VanDerWaalsContact O-N 3.16Å; E73-I75 PolarHBondContact O-N 2.84Å; I75-K120 HydrophobicContact CG2-CG 4.44Å; I75-L124 HydrophobicContact CB-CD1 4.27Å; I75-L124 HydrophobicContact CD1-CD2 4.2Å; I75-L124 HydrophobicContact CG2-CD1 3.92Å
76	L	85.6	Confident	70.2	Confident	12 Å²	12	77.9 Å²	77.9	6%	0.063	43%	0.434	C	S	.	.	H	α-helix	trans	-84.5	-30.8	-176.4	-66.1	176.1	0	0	0	113.2	F72 E73 L79 R80 L117 K120 E121 L124	F72-L76 WeakPolarHBondContact O-CG 3.3Å; F72-L76 PolarHBondContact O-N 3.16Å; E73-L76 PolarHBondContact O-N 3.18Å; L76-L79 WeakPolarHBondContact O-CB 3.39Å; L76-L79 PolarHBondContact O-N 3.03Å; L76-R80 WeakPolarHBondContact O-CG 3.34Å; L76-R80 PolarHBondContact O-N 3.19Å; L76-L117 HydrophobicContact CD2-CD1 3.99Å; L76-K120 HydrophobicContact CD2-CB 4.38Å; L76-K120 HydrophobicContact CD2-CG 4.12Å; L76-E121 HydrophobicContact CD1-CG 3.87Å; L76-E121 HydrophobicContact CD2-CG 3.62Å; L76-E121 HydrophobicContact CG-CG 4.4Å; L76-L124 HydrophobicContact CD2-CD1 3.93Å; L76-L124 HydrophobicContact CG-CD1 4.12Å
77	A	84.1	Confident	72.7	Confident	44 Å²	44	72 Å²	72	36%	0.364	40%	0.398	S	S	.	.	H	α-helix	trans	-54.4	-43.6	-175.2	0	0	0	0	0	114.2	E73 L79 R80 Q81	E73-A77 WeakPolarHBondContact O-CB 3.21Å; E73-A77 PolarHBondContact O-N 3.11Å; A77-L79 VanDerWaalsContact C-N 3.34Å; A77-L79 PolarHBondContact O-N 2.59Å; A77-R80 PolarHBondContact O-N 3.2Å; A77-Q81 WeakPolarHBondContact O-CB 3.35Å; A77-Q81 PolarHBondContact O-N 3.22Å
78	P	85.6	Confident	75.1	Confident	84 Å²	84	65.8 Å²	65.8	55%	0.545	37%	0.368	S	S	.	.	H	α-helix	trans	-63.3	-38	176.1	-21.5	33	0	0	0	113	E74 A82	E74-P78 WeakPolarHBondContact O-CD 3.42Å; P78-A82 WeakPolarHBondContact O-CB 3.42Å; P78-A82 PolarHBondContact O-N 3.11Å
79	L	84	Confident	77.6	Confident	47 Å²	47	66.8 Å²	66.8	25%	0.246	36%	0.36	C	S	.	.	H	α-helix	trans	-70.1	-40.4	178.5	-64.2	175.8	0	0	0	111.1	L76 A77 A82 V83 T116 L117 K120	L76-L79 WeakPolarHBondContact O-CB 3.39Å; L76-L79 PolarHBondContact O-N 3.03Å; A77-L79 VanDerWaalsContact C-N 3.34Å; A77-L79 PolarHBondContact O-N 2.59Å; L79-A82 PolarHBondContact O-N 3.45Å; L79-V83 WeakPolarHBondContact O-CG2 3.34Å; L79-V83 PolarHBondContact O-N 3.42Å; L79-T116 HydrophobicContact CD2-CG2 4.18Å; L79-L117 HydrophobicContact CB-CB 4.37Å; L79-L117 HydrophobicContact CB-CD1 3.72Å; L79-L117 HydrophobicContact CD1-CD1 4.46Å; L79-K120 HydrophobicContact CD1-CB 3.71Å; L79-K120 HydrophobicContact CD1-CG 3.75Å
80	R	83.2	Confident	79.4	Confident	41 Å²	41	61 Å²	61	16%	0.155	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-44.1	174.3	-70.5	-176.4	172.5	-177.8	-4.1	111.6	E73 L76 A77 A82 V83 K84 L117 E121 G396	E73-R80 IonicContact OE1-CZ 3.88Å; E73-R80 IonicContact OE1-NH1 2.77Å; E73-R80 PolarHBondContact OE1-NH1 2.67Å; E73-R80 IonicContact OE2-CZ 2.87Å; E73-R80 IonicContact OE2-NH1 2.78Å; E73-R80 PolarHBondContact OE2-NH1 3.18Å; E73-R80 VanDerWaalsContact OE2-NH1 3.14Å; L76-R80 WeakPolarHBondContact O-CG 3.34Å; L76-R80 PolarHBondContact O-N 3.19Å; A77-R80 PolarHBondContact O-N 3.2Å; R80-A82 PolarHBondContact O-N 2.73Å; R80-V83 PolarHBondContact O-N 2.88Å; R80-K84 PolarHBondContact O-N 2.95Å; R80-L117 HydrophobicContact CG-CD1 3.78Å; R80-L117 HydrophobicContact CG-CD2 3.87Å; R80-E121 IonicContact CZ-OE1 2.86Å; R80-E121 IonicContact NE-OE1 3.32Å; R80-E121 IonicContact NH2-OE1 3.17Å; R80-E121 PolarHBondContact NH2-OE1 2.84Å; R80-G396 WeakPolarHBondContact CB-O 3.39Å; R80-G396 WeakPolarHBondContact CD-O 3.37Å; R80-G396 WeakPolarHBondContact CG-O 3.49Å
81	Q	82.5	Confident	81	Confident	86 Å²	86	62.3 Å²	62.3	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-42	175.4	-177	59.5	29.3	0	0	111.6	A77 V83 K84 E85	A77-Q81 WeakPolarHBondContact O-CB 3.35Å; A77-Q81 PolarHBondContact O-N 3.22Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.45Å; Q81-K84 WeakPolarHBondContact O-CB 3.2Å; Q81-K84 PolarHBondContact O-N 2.68Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.43Å; Q81-E85 PolarHBondContact NE2-OE1 3.32Å; Q81-E85 WeakPolarHBondContact O-CG 3.44Å; Q81-E85 PolarHBondContact O-N 3.04Å
82	A	83.6	Confident	82.2	Confident	28 Å²	28	62.8 Å²	62.8	23%	0.231	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-36.9	176.3	0	0	0	0	0	113.2	P78 L79 R80 Q86 R113	P78-A82 WeakPolarHBondContact O-CB 3.42Å; P78-A82 PolarHBondContact O-N 3.11Å; L79-A82 PolarHBondContact O-N 3.45Å; R80-A82 PolarHBondContact O-N 2.73Å; A82-Q86 PolarHBondContact O-N 3.33Å; A82-R113 VanDerWaalsContact O-CD 3.28Å; A82-R113 WeakPolarHBondContact O-CD 3.37Å; A82-R113 PolarHBondContact O-NH1 3.13Å
83	V	83.1	Confident	82.8	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-65	-45.7	172.3	171.4	0	0	0	0	110.3	L79 R80 Q81 Q86 G87 L110 R113 K114 L117 Q393	L79-V83 WeakPolarHBondContact O-CG2 3.34Å; L79-V83 PolarHBondContact O-N 3.42Å; R80-V83 PolarHBondContact O-N 2.88Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.45Å; V83-Q86 PolarHBondContact O-N 3.05Å; V83-G87 PolarHBondContact O-N 3.21Å; V83-L110 HydrophobicContact CG1-CD1 3.87Å; V83-L110 VanDerWaalsContact O-CD1 3.3Å; V83-L110 WeakPolarHBondContact O-CD1 3.4Å; V83-R113 HydrophobicContact CG2-CB 3.79Å; V83-K114 HydrophobicContact CG1-CG 3.79Å; V83-K114 HydrophobicContact CG2-CG 4.15Å; V83-L117 HydrophobicContact CG2-CB 4.41Å; V83-L117 HydrophobicContact CG2-CD2 4.21Å; V83-Q393 WeakPolarHBondContact CG1-O 3.19Å
84	K	82.3	Confident	82.9	Confident	87 Å²	87	59.1 Å²	59.1	38%	0.378	29%	0.294	S	S	.	.	H	α-helix	trans	-58	-51.6	179.1	-172.8	-179.6	172.7	-173.2	0	112.3	R80 Q81 Q86 G87 D88 S395	R80-K84 PolarHBondContact O-N 2.95Å; Q81-K84 WeakPolarHBondContact O-CB 3.2Å; Q81-K84 PolarHBondContact O-N 2.68Å; K84-Q86 VanDerWaalsContact C-N 3.28Å; K84-Q86 PolarHBondContact O-N 3.23Å; K84-G87 PolarHBondContact O-N 3.06Å; K84-G87 VanDerWaalsContact O-N 3.1Å; K84-D88 PolarHBondContact O-N 3.19Å; K84-S395 VanDerWaalsContact CB-O 3.26Å; K84-S395 WeakPolarHBondContact CB-O 3.38Å; K84-S395 WeakPolarHBondContact CG-O 3.41Å
85	E	85.1	Confident	83	Confident	106 Å²	106	59.9 Å²	59.9	50%	0.495	30%	0.298	S	S	.	.	H	α-helix	trans	-57.7	-42.4	-179.7	-74	169.2	-173.8	0	0	111.8	Q81 L89	Q81-E85 WeakPolarHBondContact CG-OE1 3.43Å; Q81-E85 PolarHBondContact NE2-OE1 3.32Å; Q81-E85 WeakPolarHBondContact O-CG 3.44Å; Q81-E85 PolarHBondContact O-N 3.04Å; E85-L89 PolarHBondContact O-N 2.83Å; E85-L89 VanDerWaalsContact O-N 3.08Å
86	Q	86.4	Confident	83.2	Confident	16 Å²	16	63 Å²	63	8%	0.075	31%	0.311	C	S	.	.	H	α-helix	trans	-70.7	-36.8	177.4	-168.3	62.2	22.6	0	0	112.2	A82 V83 K84 L89 V90 A106 E109 L110	A82-Q86 PolarHBondContact O-N 3.33Å; V83-Q86 PolarHBondContact O-N 3.05Å; K84-Q86 VanDerWaalsContact C-N 3.28Å; K84-Q86 PolarHBondContact O-N 3.23Å; Q86-L89 WeakPolarHBondContact O-CB 3.15Å; Q86-L89 PolarHBondContact O-N 3.43Å; Q86-V90 WeakPolarHBondContact O-CG2 3.23Å; Q86-V90 PolarHBondContact O-N 2.9Å; Q86-A106 PolarHBondContact NE2-O 2.81Å; Q86-E109 HydrophobicContact CG-CB 4.27Å; Q86-E109 HydrophobicContact CG-CG 3.92Å; Q86-L110 HydrophobicContact CB-CD1 4.09Å; Q86-L110 HydrophobicContact CG-CB 3.89Å; Q86-L110 HydrophobicContact CG-CD1 4.33Å
87	G	78.9	Confident	82.9	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.9	-40.2	176.3	0	0	0	0	0	112.5	V83 K84 L89 V90 R91 T394	V83-G87 PolarHBondContact O-N 3.21Å; K84-G87 PolarHBondContact O-N 3.06Å; K84-G87 VanDerWaalsContact O-N 3.1Å; G87-L89 VanDerWaalsContact C-N 3.34Å; G87-V90 PolarHBondContact O-N 2.86Å; G87-R91 WeakPolarHBondContact O-CG 3.36Å; G87-R91 PolarHBondContact O-N 3.5Å; G87-T394 WeakPolarHBondContact CA-O 3.31Å
88	D	82.8	Confident	82.9	Confident	71 Å²	71	64.8 Å²	64.8	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-39.4	174.8	-70.6	-22.9	0	0	0	111	K84 R91 K92	K84-D88 PolarHBondContact O-N 3.19Å; D88-R91 PolarHBondContact O-N 3.1Å; D88-K92 WeakPolarHBondContact O-CB 3.45Å; D88-K92 PolarHBondContact O-N 2.74Å
89	L	85.1	Confident	82.6	Confident	77 Å²	77	64.6 Å²	64.6	40%	0.403	33%	0.333	S	S	.	.	H	α-helix	trans	-60.3	-48.5	173.1	179.3	64.1	0	0	0	111.9	E85 Q86 G87 R91 K92 M93	E85-L89 PolarHBondContact O-N 2.83Å; E85-L89 VanDerWaalsContact O-N 3.08Å; Q86-L89 WeakPolarHBondContact O-CB 3.15Å; Q86-L89 PolarHBondContact O-N 3.43Å; G87-L89 VanDerWaalsContact C-N 3.34Å; L89-R91 VanDerWaalsContact C-N 3.33Å; L89-R91 PolarHBondContact O-N 3.08Å; L89-K92 PolarHBondContact O-N 3.19Å; L89-M93 HydrophobicContact CD1-CG 4.24Å; L89-M93 HydrophobicContact CD1-SD 4.2Å; L89-M93 HydrophobicContact CG-CG 4.46Å; L89-M93 HydrophobicContact CG-SD 4Å; L89-M93 VanDerWaalsContact O-CG 3.3Å; L89-M93 WeakPolarHBondContact O-CG 3.44Å; L89-M93 PolarHBondContact O-N 3.03Å
90	V	80.9	Confident	82	Confident	9 Å²	9	68.8 Å²	68.8	6%	0.055	36%	0.355	C	S	.	.	H	α-helix	trans	-58.8	-44.3	178.2	168.6	0	0	0	0	111.4	Q86 G87 M93 K94 A106 V107 L110	Q86-V90 WeakPolarHBondContact O-CG2 3.23Å; Q86-V90 PolarHBondContact O-N 2.9Å; G87-V90 PolarHBondContact O-N 2.86Å; V90-M93 PolarHBondContact O-N 3.19Å; V90-K94 HydrophobicContact CG1-CD 4.4Å; V90-K94 WeakPolarHBondContact O-CG 3.22Å; V90-K94 PolarHBondContact O-N 2.86Å; V90-K94 VanDerWaalsContact O-N 3.07Å; V90-A106 VanDerWaalsContact CG2-C 3.44Å; V90-A106 HydrophobicContact CG2-CB 3.72Å; V90-A106 WeakPolarHBondContact CG2-O 3.1Å; V90-V107 HydrophobicContact CG1-CG2 3.58Å; V90-V107 HydrophobicContact CG2-CG2 4.15Å; V90-L110 HydrophobicContact CG2-CB 4.43Å; V90-L110 HydrophobicContact CG2-CD2 4.41Å
91	R	78.3	Confident	81.5	Confident	94 Å²	94	71.4 Å²	71.4	36%	0.355	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-44.7	177.7	-73.4	179.6	-168.9	169.7	4.7	111.5	G87 D88 L89 K94 Q95 K391 T394	G87-R91 WeakPolarHBondContact O-CG 3.36Å; G87-R91 PolarHBondContact O-N 3.5Å; D88-R91 PolarHBondContact O-N 3.1Å; L89-R91 VanDerWaalsContact C-N 3.33Å; L89-R91 PolarHBondContact O-N 3.08Å; R91-K94 PolarHBondContact O-N 2.73Å; R91-Q95 WeakPolarHBondContact O-CG 3.16Å; R91-Q95 PolarHBondContact O-N 2.9Å; R91-K391 PolarHBondContact NH2-O 3.39Å; R91-T394 PolarHBondContact NH2-OG1 2.76Å
92	K	84.3	Confident	81	Confident	111 Å²	111	70.5 Å²	70.5	48%	0.483	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-47.3	177.9	-175	178.3	174.7	-177.2	0	111.4	D88 L89 K94 Q95 E96	D88-K92 WeakPolarHBondContact O-CB 3.45Å; D88-K92 PolarHBondContact O-N 2.74Å; L89-K92 PolarHBondContact O-N 3.19Å; K92-K94 VanDerWaalsContact C-N 3.33Å; K92-K94 PolarHBondContact O-N 3.08Å; K92-Q95 PolarHBondContact O-N 2.69Å; K92-Q95 VanDerWaalsContact O-N 3.14Å; K92-E96 WeakPolarHBondContact CE-OE1 3.4Å; K92-E96 HydrophobicContact CG-CG 4.39Å; K92-E96 IonicContact NZ-OE1 3.54Å; K92-E96 WeakPolarHBondContact O-CB 3.33Å; K92-E96 WeakPolarHBondContact O-CG 3.21Å; K92-E96 PolarHBondContact O-N 3.21Å
93	M	84.8	Confident	80.4	Confident	31 Å²	31	69.9 Å²	69.9	15%	0.153	37%	0.367	C	S	.	.	H	α-helix	trans	-60.2	-40.5	178.3	-69.9	177.2	76.5	0	0	112.7	L89 V90 E96 G97 A98 D102 V103 A106	L89-M93 HydrophobicContact CD1-CG 4.24Å; L89-M93 HydrophobicContact CD1-SD 4.2Å; L89-M93 HydrophobicContact CG-CG 4.46Å; L89-M93 HydrophobicContact CG-SD 4Å; L89-M93 VanDerWaalsContact O-CG 3.3Å; L89-M93 WeakPolarHBondContact O-CG 3.44Å; L89-M93 PolarHBondContact O-N 3.03Å; V90-M93 PolarHBondContact O-N 3.19Å; M93-E96 PolarHBondContact O-N 3.49Å; M93-G97 PolarHBondContact O-N 2.88Å; M93-A98 HydrophobicContact CB-CB 3.95Å; M93-A98 HydrophobicContact CE-CB 4.24Å; M93-A98 HydrophobicContact CG-CB 4.47Å; M93-A98 VanDerWaalsContact O-CB 3.3Å; M93-A98 WeakPolarHBondContact O-CB 3.3Å; M93-A98 PolarHBondContact O-N 3.08Å; M93-D102 VanDerWaalsContact CE-C 3.48Å; M93-D102 HydrophobicContact CE-CB 3.56Å; M93-D102 WeakPolarHBondContact CE-O 3.47Å; M93-V103 HydrophobicContact CB-CG2 4.18Å; M93-A106 HydrophobicContact CE-CB 4.35Å; M93-A106 HydrophobicContact SD-CB 3.61Å
94	K	78.4	Confident	79.8	Confident	80 Å²	80	72.7 Å²	72.7	35%	0.348	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-41	174.7	-76.5	178.7	168.7	-175.8	0	112.5	V90 R91 K92 E96 G97 V103 D446	V90-K94 HydrophobicContact CG1-CD 4.4Å; V90-K94 WeakPolarHBondContact O-CG 3.22Å; V90-K94 PolarHBondContact O-N 2.86Å; V90-K94 VanDerWaalsContact O-N 3.07Å; R91-K94 PolarHBondContact O-N 2.73Å; K92-K94 VanDerWaalsContact C-N 3.33Å; K92-K94 PolarHBondContact O-N 3.08Å; K94-E96 VanDerWaalsContact C-N 3.34Å; K94-G97 PolarHBondContact O-N 2.67Å; K94-V103 HydrophobicContact CG-CG1 3.82Å; K94-D446 IonicContact NZ-OD2 2.73Å; K94-D446 PolarHBondContact NZ-OD2 3.25Å
95	Q	81.3	Confident	79.3	Confident	168 Å²	168	73 Å²	73	79%	0.785	39%	0.386	S	S	*	.	H	α-helix	trans	-67.6	-34.8	178	-75.3	176.8	-9.8	0	0	112.6	R91 K92 G97	R91-Q95 WeakPolarHBondContact O-CG 3.16Å; R91-Q95 PolarHBondContact O-N 2.9Å; K92-Q95 PolarHBondContact O-N 2.69Å; K92-Q95 VanDerWaalsContact O-N 3.14Å; Q95-G97 VanDerWaalsContact C-N 3.25Å; Q95-G97 PolarHBondContact O-N 3.37Å
96	E	86.4	Confident	78.7	Confident	130 Å²	130	68.4 Å²	68.4	61%	0.607	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-1.1	179.8	-68.9	175.3	167.1	0	0	113.1	K92 M93 K94 A98	K92-E96 WeakPolarHBondContact CE-OE1 3.4Å; K92-E96 HydrophobicContact CG-CG 4.39Å; K92-E96 IonicContact NZ-OE1 3.54Å; K92-E96 WeakPolarHBondContact O-CB 3.33Å; K92-E96 WeakPolarHBondContact O-CG 3.21Å; K92-E96 PolarHBondContact O-N 3.21Å; M93-E96 PolarHBondContact O-N 3.49Å; K94-E96 VanDerWaalsContact C-N 3.34Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 3.18Å
97	G	80.4	Confident	78	Confident	67 Å²	67	68.2 Å²	68.2	69%	0.691	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	33.9	-178.9	0	0	0	0	0	113.1	M93 K94 Q95	M93-G97 PolarHBondContact O-N 2.88Å; K94-G97 PolarHBondContact O-N 2.67Å; Q95-G97 VanDerWaalsContact C-N 3.25Å; Q95-G97 PolarHBondContact O-N 3.37Å
98	A	82.8	Confident	77.6	Confident	26 Å²	26	68.4 Å²	68.4	22%	0.215	37%	0.367	C	S	.	.			trans	-59.5	154.4	178.2	0	0	0	0	0	111.6	M93 E96 D100 V103	M93-A98 HydrophobicContact CB-CB 3.95Å; M93-A98 HydrophobicContact CE-CB 4.24Å; M93-A98 HydrophobicContact CG-CB 4.47Å; M93-A98 VanDerWaalsContact O-CB 3.3Å; M93-A98 WeakPolarHBondContact O-CB 3.3Å; M93-A98 PolarHBondContact O-N 3.08Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 3.18Å; A98-D100 PolarHBondContact O-N 3.06Å; A98-V103 HydrophobicContact CB-CG2 4.13Å
99	P	81	Confident	77.2	Confident	81 Å²	81	67.1 Å²	67.1	53%	0.526	36%	0.359	S	S	.	.			trans	-53.9	136.6	179.1	-24.9	33.9	0	0	0	112.5	V101 D102 V103	P99-V101 PolarHBondContact O-N 3.4Å; P99-D102 PolarHBondContact O-N 3.12Å; P99-V103 PolarHBondContact O-N 3.15Å; P99-V103 VanDerWaalsContact O-N 3.1Å
100	D	71.3	Confident	76.8	Confident	135 Å²	135	63.6 Å²	63.6	72%	0.722	34%	0.34	S	S	*	.	H	α-helix	trans	-53	-34.8	-177.7	-85.6	-11.9	0	0	0	113.2	A98 D102 V103 T104	A98-D100 PolarHBondContact O-N 3.06Å; D100-D102 VanDerWaalsContact C-N 3.33Å; D100-D102 PolarHBondContact O-N 3.05Å; D100-V103 PolarHBondContact O-N 3.36Å; D100-T104 WeakPolarHBondContact O-CB 3.21Å; D100-T104 PolarHBondContact O-N 3.34Å; D100-T104 PolarHBondContact O-OG1 2.93Å
101	V	71.3	Confident	76.3	Confident	95 Å²	95	65.2 Å²	65.2	58%	0.576	35%	0.346	S	S	*	.	H	α-helix	trans	-61.6	-41.9	177.2	179.8	0	0	0	0	111.3	P99 T104 K105	P99-V101 PolarHBondContact O-N 3.4Å; V101-T104 PolarHBondContact O-N 3.44Å; V101-K105 WeakPolarHBondContact O-CG 3.24Å; V101-K105 PolarHBondContact O-N 2.86Å
102	D	72.4	Confident	76	Confident	68 Å²	68	61 Å²	61	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-76.7	-37.8	-177.9	-63.5	-34.3	0	0	0	111.3	M93 P99 D100 T104 K105 A106	M93-D102 VanDerWaalsContact CE-C 3.48Å; M93-D102 HydrophobicContact CE-CB 3.56Å; M93-D102 WeakPolarHBondContact CE-O 3.47Å; P99-D102 PolarHBondContact O-N 3.12Å; D100-D102 VanDerWaalsContact C-N 3.33Å; D100-D102 PolarHBondContact O-N 3.05Å; D102-T104 VanDerWaalsContact C-N 3.3Å; D102-T104 PolarHBondContact O-N 3.2Å; D102-K105 PolarHBondContact O-N 3.13Å; D102-A106 WeakPolarHBondContact O-CB 3.46Å; D102-A106 PolarHBondContact O-N 2.94Å
103	V	71.7	Confident	75.8	Confident	14 Å²	14	59.1 Å²	59.1	9%	0.085	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-45.1	170.9	177.8	0	0	0	0	110.2	M93 K94 A98 P99 D100 K105 A106 V107	M93-V103 HydrophobicContact CB-CG2 4.18Å; K94-V103 HydrophobicContact CG-CG1 3.82Å; A98-V103 HydrophobicContact CB-CG2 4.13Å; P99-V103 PolarHBondContact O-N 3.15Å; P99-V103 VanDerWaalsContact O-N 3.1Å; D100-V103 PolarHBondContact O-N 3.36Å; V103-K105 VanDerWaalsContact C-N 3.35Å; V103-K105 PolarHBondContact O-N 3.1Å; V103-A106 PolarHBondContact O-N 2.82Å; V103-V107 HydrophobicContact CG1-CG2 4.24Å; V103-V107 WeakPolarHBondContact O-CB 3.43Å; V103-V107 WeakPolarHBondContact O-CG2 3.22Å; V103-V107 PolarHBondContact O-N 3.34Å
104	T	69.9	Low	75.3	Confident	60 Å²	60	58.1 Å²	58.1	37%	0.368	32%	0.317	S	S	.	.	H	α-helix	trans	-63.2	-39.9	179.8	-61.5	0	0	0	0	111.7	D100 V101 D102 A108 N260	D100-T104 WeakPolarHBondContact O-CB 3.21Å; D100-T104 PolarHBondContact O-N 3.34Å; D100-T104 PolarHBondContact O-OG1 2.93Å; V101-T104 PolarHBondContact O-N 3.44Å; D102-T104 VanDerWaalsContact C-N 3.3Å; D102-T104 PolarHBondContact O-N 3.2Å; T104-A108 VanDerWaalsContact O-CB 3.29Å; T104-A108 WeakPolarHBondContact O-CB 3.5Å; T104-A108 PolarHBondContact O-N 3.35Å; T104-N260 HydrophobicContact CG2-CB 4.42Å; T104-N260 VanDerWaalsContact CG2-ND2 3.26Å; T104-N260 WeakPolarHBondContact CG2-ND2 3.21Å
105	K	72.3	Confident	75	Confident	95 Å²	95	58.2 Å²	58.2	41%	0.413	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-43.8	172.5	-73.2	175.3	177.6	168.9	0	112.7	V101 D102 V103 A108 E109	V101-K105 WeakPolarHBondContact O-CG 3.24Å; V101-K105 PolarHBondContact O-N 2.86Å; D102-K105 PolarHBondContact O-N 3.13Å; V103-K105 VanDerWaalsContact C-N 3.35Å; V103-K105 PolarHBondContact O-N 3.1Å; K105-A108 WeakPolarHBondContact O-CB 3.23Å; K105-A108 PolarHBondContact O-N 3.08Å; K105-E109 PolarHBondContact O-N 3.13Å; K105-E109 VanDerWaalsContact O-N 3.1Å
106	A	72.8	Confident	74.7	Confident	9 Å²	9	53.2 Å²	53.2	7%	0.074	30%	0.296	C	S	.	.	H	α-helix	trans	-67.5	-37.2	179.8	0	0	0	0	0	112.4	Q86 V90 M93 D102 V103 E109 L110	Q86-A106 PolarHBondContact NE2-O 2.81Å; V90-A106 VanDerWaalsContact CG2-C 3.44Å; V90-A106 HydrophobicContact CG2-CB 3.72Å; V90-A106 WeakPolarHBondContact CG2-O 3.1Å; M93-A106 HydrophobicContact CE-CB 4.35Å; M93-A106 HydrophobicContact SD-CB 3.61Å; D102-A106 WeakPolarHBondContact O-CB 3.46Å; D102-A106 PolarHBondContact O-N 2.94Å; V103-A106 PolarHBondContact O-N 2.82Å; A106-E109 PolarHBondContact O-N 3.09Å; A106-L110 PolarHBondContact O-N 3.01Å
107	V	72.1	Confident	74.3	Confident	12 Å²	12	47.2 Å²	47.2	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-44.1	174	164.9	0	0	0	0	111.3	V90 V103 E109 L110 K111 N447	V90-V107 HydrophobicContact CG1-CG2 3.58Å; V90-V107 HydrophobicContact CG2-CG2 4.15Å; V103-V107 HydrophobicContact CG1-CG2 4.24Å; V103-V107 WeakPolarHBondContact O-CB 3.43Å; V103-V107 WeakPolarHBondContact O-CG2 3.22Å; V103-V107 PolarHBondContact O-N 3.34Å; V107-E109 VanDerWaalsContact C-N 3.28Å; V107-E109 PolarHBondContact O-N 2.64Å; V107-L110 WeakPolarHBondContact O-CB 3.46Å; V107-L110 PolarHBondContact O-N 3.18Å; V107-K111 PolarHBondContact O-N 3.03Å; V107-N447 HydrophobicContact CG1-CB 3.71Å; V107-N447 WeakPolarHBondContact CG1-ND2 3.08Å; V107-N447 HydrophobicContact CG2-CB 4.49Å
108	A	68.7	Low	74	Confident	4 Å²	4	47.5 Å²	47.5	3%	0.033	25%	0.252	C	S	.	.	H	α-helix	trans	-54.4	-49.8	174.1	0	0	0	0	0	109.8	T104 K105 L110 K111 A112 T256 Q257	T104-A108 VanDerWaalsContact O-CB 3.29Å; T104-A108 WeakPolarHBondContact O-CB 3.5Å; T104-A108 PolarHBondContact O-N 3.35Å; K105-A108 WeakPolarHBondContact O-CB 3.23Å; K105-A108 PolarHBondContact O-N 3.08Å; A108-L110 VanDerWaalsContact C-N 3.3Å; A108-L110 PolarHBondContact O-N 3.29Å; A108-K111 WeakPolarHBondContact O-CA 3.44Å; A108-K111 WeakPolarHBondContact O-CB 3.36Å; A108-K111 PolarHBondContact O-N 3.39Å; A108-A112 PolarHBondContact O-N 3.29Å; A108-T256 HydrophobicContact CB-CG2 3.71Å; A108-T256 VanDerWaalsContact CB-O 3.31Å; A108-T256 WeakPolarHBondContact CB-O 3.48Å; A108-T256 VanDerWaalsContact O-CG2 3.31Å; A108-T256 WeakPolarHBondContact O-CG2 3.33Å; A108-Q257 HydrophobicContact CB-CG 3.97Å
109	E	76.3	Confident	73.6	Confident	44 Å²	44	49.1 Å²	49.1	21%	0.206	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-38.5	179.8	178.3	61.6	-166.5	0	0	112.4	Q86 K105 A106 V107 K111 A112 R113 T256	Q86-E109 HydrophobicContact CG-CB 4.27Å; Q86-E109 HydrophobicContact CG-CG 3.92Å; K105-E109 PolarHBondContact O-N 3.13Å; K105-E109 VanDerWaalsContact O-N 3.1Å; A106-E109 PolarHBondContact O-N 3.09Å; V107-E109 VanDerWaalsContact C-N 3.28Å; V107-E109 PolarHBondContact O-N 2.64Å; E109-K111 PolarHBondContact O-N 2.97Å; E109-A112 PolarHBondContact O-N 3.17Å; E109-R113 WeakPolarHBondContact O-CG 3.31Å; E109-R113 PolarHBondContact O-N 3.3Å; E109-R113 IonicContact OE1-CZ 3.4Å; E109-R113 IonicContact OE1-NE 3.75Å; E109-R113 PolarHBondContact OE1-NE 2.95Å; E109-R113 IonicContact OE1-NH2 3.64Å; E109-R113 PolarHBondContact OE1-NH2 2.95Å; E109-R113 VanDerWaalsContact OE1-NH2 3.17Å; E109-T256 HydrophobicContact CB-CG2 3.84Å; E109-T256 WeakPolarHBondContact OE2-CG2 3.35Å; E109-T256 PolarHBondContact OE2-OG1 3.22Å
110	L	75.1	Confident	73.6	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-44.6	172.3	-178.9	59.4	0	0	0	112.2	V83 Q86 V90 A106 V107 A108 A112 R113 K114 T394	V83-L110 HydrophobicContact CG1-CD1 3.87Å; V83-L110 VanDerWaalsContact O-CD1 3.3Å; V83-L110 WeakPolarHBondContact O-CD1 3.4Å; Q86-L110 HydrophobicContact CB-CD1 4.09Å; Q86-L110 HydrophobicContact CG-CB 3.89Å; Q86-L110 HydrophobicContact CG-CD1 4.33Å; V90-L110 HydrophobicContact CG2-CB 4.43Å; V90-L110 HydrophobicContact CG2-CD2 4.41Å; A106-L110 PolarHBondContact O-N 3.01Å; V107-L110 WeakPolarHBondContact O-CB 3.46Å; V107-L110 PolarHBondContact O-N 3.18Å; A108-L110 VanDerWaalsContact C-N 3.3Å; A108-L110 PolarHBondContact O-N 3.29Å; L110-A112 VanDerWaalsContact C-N 3.32Å; L110-A112 PolarHBondContact O-N 3.15Å; L110-R113 PolarHBondContact O-N 3.23Å; L110-K114 HydrophobicContact CG-CD 4.41Å; L110-K114 WeakPolarHBondContact O-CG 3.43Å; L110-K114 PolarHBondContact O-N 2.84Å; L110-K114 VanDerWaalsContact O-N 3.09Å; L110-T394 HydrophobicContact CD2-CG2 3.92Å
111	K	71.1	Confident	73.9	Confident	42 Å²	42	45 Å²	45	18%	0.183	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-39.1	177	-72	-178.6	174.5	179.1	0	111.8	V107 A108 E109 K114 R115 M445 N447	V107-K111 PolarHBondContact O-N 3.03Å; A108-K111 WeakPolarHBondContact O-CA 3.44Å; A108-K111 WeakPolarHBondContact O-CB 3.36Å; A108-K111 PolarHBondContact O-N 3.39Å; E109-K111 PolarHBondContact O-N 2.97Å; K111-K114 PolarHBondContact O-N 2.92Å; K111-R115 WeakPolarHBondContact O-CG 3.32Å; K111-R115 PolarHBondContact O-N 3Å; K111-M445 HydrophobicContact CG-CE 4.4Å; K111-N447 WeakPolarHBondContact CE-ND2 3.45Å
112	A	72	Confident	73.9	Confident	7 Å²	7	44 Å²	44	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-48	178.6	0	0	0	0	0	112.4	A108 E109 L110 K114 R115 T116 T256	A108-A112 PolarHBondContact O-N 3.29Å; E109-A112 PolarHBondContact O-N 3.17Å; L110-A112 VanDerWaalsContact C-N 3.32Å; L110-A112 PolarHBondContact O-N 3.15Å; A112-K114 VanDerWaalsContact C-N 3.25Å; A112-K114 PolarHBondContact O-N 2.74Å; A112-R115 WeakPolarHBondContact O-CB 3.36Å; A112-R115 PolarHBondContact O-N 2.69Å; A112-R115 VanDerWaalsContact O-N 3.12Å; A112-T116 PolarHBondContact O-N 2.74Å; A112-T116 PolarHBondContact O-OG1 2.97Å; A112-T256 HydrophobicContact CB-CG2 4.1Å; A112-T256 WeakPolarHBondContact CB-OG1 3.37Å
113	R	79.6	Confident	74.2	Confident	70 Å²	70	44.3 Å²	44.3	26%	0.264	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-38.5	176.3	-66.7	-177.9	-172.3	-164.6	3.1	112.1	A82 V83 E109 L110 T116 L117	A82-R113 VanDerWaalsContact O-CD 3.28Å; A82-R113 WeakPolarHBondContact O-CD 3.37Å; A82-R113 PolarHBondContact O-NH1 3.13Å; V83-R113 HydrophobicContact CG2-CB 3.79Å; E109-R113 WeakPolarHBondContact O-CG 3.31Å; E109-R113 PolarHBondContact O-N 3.3Å; E109-R113 IonicContact OE1-CZ 3.4Å; E109-R113 IonicContact OE1-NE 3.75Å; E109-R113 PolarHBondContact OE1-NE 2.95Å; E109-R113 IonicContact OE1-NH2 3.64Å; E109-R113 PolarHBondContact OE1-NH2 2.95Å; E109-R113 VanDerWaalsContact OE1-NH2 3.17Å; L110-R113 PolarHBondContact O-N 3.23Å; R113-T116 PolarHBondContact O-N 3.48Å; R113-L117 PolarHBondContact O-N 2.97Å
114	K	73.6	Confident	74.4	Confident	11 Å²	11	45.2 Å²	45.2	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-48.3	173.4	-76	174.6	173.3	-176.1	0	112.7	V83 L110 K111 A112 T116 L117 E118 Q393 M445	V83-K114 HydrophobicContact CG1-CG 3.79Å; V83-K114 HydrophobicContact CG2-CG 4.15Å; L110-K114 HydrophobicContact CG-CD 4.41Å; L110-K114 WeakPolarHBondContact O-CG 3.43Å; L110-K114 PolarHBondContact O-N 2.84Å; L110-K114 VanDerWaalsContact O-N 3.09Å; K111-K114 PolarHBondContact O-N 2.92Å; A112-K114 VanDerWaalsContact C-N 3.25Å; A112-K114 PolarHBondContact O-N 2.74Å; K114-T116 PolarHBondContact O-N 2.83Å; K114-L117 WeakPolarHBondContact O-CB 3.41Å; K114-L117 PolarHBondContact O-N 3.01Å; K114-L117 VanDerWaalsContact O-N 3.12Å; K114-E118 WeakPolarHBondContact O-CG 3.31Å; K114-E118 PolarHBondContact O-N 3.09Å; K114-Q393 WeakPolarHBondContact CE-O 3.42Å; K114-Q393 VanDerWaalsContact NZ-CB 3.31Å; K114-Q393 PolarHBondContact NZ-O 3.38Å; K114-M445 PolarHBondContact NZ-SD 3.04Å
115	R	72.1	Confident	74.2	Confident	81 Å²	81	44.3 Å²	44.3	31%	0.306	23%	0.227	S	C	.	.	H	α-helix	trans	-58.2	-39.1	176.4	-72.8	168.3	178.1	175.6	4.7	111.4	K111 A112 E118 A119 D259	K111-R115 WeakPolarHBondContact O-CG 3.32Å; K111-R115 PolarHBondContact O-N 3Å; A112-R115 WeakPolarHBondContact O-CB 3.36Å; A112-R115 PolarHBondContact O-N 2.69Å; A112-R115 VanDerWaalsContact O-N 3.12Å; R115-E118 PolarHBondContact O-N 3.44Å; R115-A119 VanDerWaalsContact O-CB 3.24Å; R115-A119 WeakPolarHBondContact O-CB 3.35Å; R115-A119 PolarHBondContact O-N 2.72Å; R115-D259 IonicContact NH2-OD2 2.72Å
116	T	75.4	Confident	74.1	Confident	64 Å²	64	43.3 Å²	43.3	39%	0.393	23%	0.231	S	C	.	.	H	α-helix	trans	-65	-44.2	175.7	-62.2	0	0	0	0	111.7	L79 A112 R113 K114 K120	L79-T116 HydrophobicContact CD2-CG2 4.18Å; A112-T116 PolarHBondContact O-N 2.74Å; A112-T116 PolarHBondContact O-OG1 2.97Å; R113-T116 PolarHBondContact O-N 3.48Å; K114-T116 PolarHBondContact O-N 2.83Å; T116-K120 WeakPolarHBondContact O-CB 3.27Å; T116-K120 PolarHBondContact O-N 3.34Å
117	L	78.2	Confident	73.4	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-50.9	173.3	175.6	64.6	0	0	0	111.1	L76 L79 R80 V83 R113 K114 A119 K120 E121	L76-L117 HydrophobicContact CD2-CD1 3.99Å; L79-L117 HydrophobicContact CB-CB 4.37Å; L79-L117 HydrophobicContact CB-CD1 3.72Å; L79-L117 HydrophobicContact CD1-CD1 4.46Å; R80-L117 HydrophobicContact CG-CD1 3.78Å; R80-L117 HydrophobicContact CG-CD2 3.87Å; V83-L117 HydrophobicContact CG2-CB 4.41Å; V83-L117 HydrophobicContact CG2-CD2 4.21Å; R113-L117 PolarHBondContact O-N 2.97Å; K114-L117 WeakPolarHBondContact O-CB 3.41Å; K114-L117 PolarHBondContact O-N 3.01Å; K114-L117 VanDerWaalsContact O-N 3.12Å; L117-A119 PolarHBondContact O-N 3.36Å; L117-K120 PolarHBondContact O-N 3.13Å; L117-K120 VanDerWaalsContact O-N 3.13Å; L117-E121 HydrophobicContact CD1-CG 4.27Å; L117-E121 HydrophobicContact CG-CG 4.49Å; L117-E121 WeakPolarHBondContact O-CG 3.26Å; L117-E121 PolarHBondContact O-N 2.84Å
118	E	74.1	Confident	72.7	Confident	73 Å²	73	58.8 Å²	58.8	34%	0.341	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-43.1	-179.7	-72.2	174	165.8	0	0	112.5	K114 R115 K120 E121 L122	K114-E118 WeakPolarHBondContact O-CG 3.31Å; K114-E118 PolarHBondContact O-N 3.09Å; R115-E118 PolarHBondContact O-N 3.44Å; E118-K120 VanDerWaalsContact C-N 3.28Å; E118-K120 PolarHBondContact O-N 2.67Å; E118-E121 PolarHBondContact O-N 3.32Å; E118-L122 WeakPolarHBondContact O-CB 3.44Å; E118-L122 PolarHBondContact O-N 3.38Å
119	A	75.3	Confident	72.3	Confident	60 Å²	60	61 Å²	61	50%	0.496	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-36.8	175.9	0	0	0	0	0	111.5	R115 L117 S123	R115-A119 VanDerWaalsContact O-CB 3.24Å; R115-A119 WeakPolarHBondContact O-CB 3.35Å; R115-A119 PolarHBondContact O-N 2.72Å; L117-A119 PolarHBondContact O-N 3.36Å; A119-S123 PolarHBondContact O-N 2.9Å
120	K	80.4	Confident	71.9	Confident	80 Å²	80	63.5 Å²	63.5	35%	0.348	33%	0.328	S	S	.	.	H	α-helix	trans	-70.5	-44.4	176.1	-169.5	67.4	-174.3	165.8	0	111.3	I75 L76 L79 T116 L117 E118 L122 S123 L124	I75-K120 HydrophobicContact CG2-CG 4.44Å; L76-K120 HydrophobicContact CD2-CB 4.38Å; L76-K120 HydrophobicContact CD2-CG 4.12Å; L79-K120 HydrophobicContact CD1-CB 3.71Å; L79-K120 HydrophobicContact CD1-CG 3.75Å; T116-K120 WeakPolarHBondContact O-CB 3.27Å; T116-K120 PolarHBondContact O-N 3.34Å; L117-K120 PolarHBondContact O-N 3.13Å; L117-K120 VanDerWaalsContact O-N 3.13Å; E118-K120 VanDerWaalsContact C-N 3.28Å; E118-K120 PolarHBondContact O-N 2.67Å; K120-L122 VanDerWaalsContact C-N 3.27Å; K120-L122 PolarHBondContact O-N 3.47Å; K120-S123 PolarHBondContact O-N 2.87Å; K120-S123 VanDerWaalsContact O-N 3.1Å; K120-S123 PolarHBondContact O-OG 3.43Å; K120-L124 HydrophobicContact CG-CD1 4.09Å; K120-L124 WeakPolarHBondContact O-CG 3.19Å; K120-L124 PolarHBondContact O-N 2.89Å; K120-L124 VanDerWaalsContact O-N 3.1Å
121	E	77.9	Confident	72.5	Confident	50 Å²	50	64.7 Å²	64.7	23%	0.234	34%	0.335	C	S	.	.	H	α-helix	trans	-55.7	-43.2	173.3	-74.8	-176.7	156	0	0	110.8	L76 R80 L117 E118 L124 Q125	L76-E121 HydrophobicContact CD1-CG 3.87Å; L76-E121 HydrophobicContact CD2-CG 3.62Å; L76-E121 HydrophobicContact CG-CG 4.4Å; R80-E121 IonicContact CZ-OE1 2.86Å; R80-E121 IonicContact NE-OE1 3.32Å; R80-E121 IonicContact NH2-OE1 3.17Å; R80-E121 PolarHBondContact NH2-OE1 2.84Å; L117-E121 HydrophobicContact CD1-CG 4.27Å; L117-E121 HydrophobicContact CG-CG 4.49Å; L117-E121 WeakPolarHBondContact O-CG 3.26Å; L117-E121 PolarHBondContact O-N 2.84Å; E118-E121 PolarHBondContact O-N 3.32Å; E121-L124 PolarHBondContact O-N 3.09Å; E121-Q125 WeakPolarHBondContact O-CG 3.2Å
122	L	71.8	Confident	73.4	Confident	72 Å²	72	66.2 Å²	66.2	38%	0.377	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-43.5	174.3	-173.4	64.5	0	0	0	112.5	E118 K120 L124 Q125	E118-L122 WeakPolarHBondContact O-CB 3.44Å; E118-L122 PolarHBondContact O-N 3.38Å; K120-L122 VanDerWaalsContact C-N 3.27Å; K120-L122 PolarHBondContact O-N 3.47Å; L122-L124 PolarHBondContact O-N 3.3Å; L122-Q125 WeakPolarHBondContact O-CB 3.45Å; L122-Q125 WeakPolarHBondContact O-CG 3.26Å; L122-Q125 PolarHBondContact O-N 3.49Å
123	S	77.2	Confident	74.3	Confident	76 Å²	76	70.1 Å²	70.1	53%	0.531	36%	0.359	S	S	.	.	H	α-helix	trans	-67.1	-22.2	-179.6	76.7	0	0	0	0	114.5	A119 K120	A119-S123 PolarHBondContact O-N 2.9Å; K120-S123 PolarHBondContact O-N 2.87Å; K120-S123 VanDerWaalsContact O-N 3.1Å; K120-S123 PolarHBondContact O-OG 3.43Å
124	L	76.6	Confident	74.9	Confident	33 Å²	33	71.9 Å²	71.9	17%	0.173	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	1.4	-178.4	-69	173.4	0	0	0	112.6	F72 I75 L76 K120 E121 L122	F72-L124 HydrophobicContact CD1-CB 3.78Å; F72-L124 HydrophobicContact CD1-CD1 4.17Å; F72-L124 HydrophobicContact CD1-CD2 4.06Å; F72-L124 HydrophobicContact CD1-CG 4.21Å; F72-L124 HydrophobicContact CE1-CB 3.93Å; F72-L124 HydrophobicContact CE1-CD2 4.18Å; F72-L124 VanDerWaalsContact CE1-O 3.26Å; F72-L124 WeakPolarHBondContact CE1-O 3.4Å; I75-L124 HydrophobicContact CB-CD1 4.27Å; I75-L124 HydrophobicContact CD1-CD2 4.2Å; I75-L124 HydrophobicContact CG2-CD1 3.92Å; L76-L124 HydrophobicContact CD2-CD1 3.93Å; L76-L124 HydrophobicContact CG-CD1 4.12Å; K120-L124 HydrophobicContact CG-CD1 4.09Å; K120-L124 WeakPolarHBondContact O-CG 3.19Å; K120-L124 PolarHBondContact O-N 2.89Å; K120-L124 VanDerWaalsContact O-N 3.1Å; E121-L124 PolarHBondContact O-N 3.09Å; L122-L124 PolarHBondContact O-N 3.3Å
125	Q	66.8	Low	75.9	Confident	41 Å²	41	73.6 Å²	73.6	19%	0.192	39%	0.385	C	S	.	.	S	Bend	trans	-65.9	142	-177.2	-71.6	179.8	14.8	0	0	112.3	E121 L122 K127 K462	E121-Q125 WeakPolarHBondContact O-CG 3.2Å; L122-Q125 WeakPolarHBondContact O-CB 3.45Å; L122-Q125 WeakPolarHBondContact O-CG 3.26Å; L122-Q125 PolarHBondContact O-N 3.49Å; Q125-K127 PolarHBondContact O-N 3.3Å; Q125-K462 VanDerWaalsContact OE1-CE 3.26Å
126	P	68.2	Low	77	Confident	74 Å²	74	69.8 Å²	69.8	48%	0.481	37%	0.371	S	S	.	.			trans	-56.7	138.3	171.5	-21	31.8	0	0	0	110.7	D128 D129	P126-D128 PolarHBondContact O-N 2.92Å; P126-D129 HydrophobicContact CB-CB 4.48Å; P126-D129 WeakPolarHBondContact O-CB 3.17Å; P126-D129 PolarHBondContact O-N 3.25Å
127	K	59.5	Low	78	Confident	182 Å²	182	68.7 Å²	68.7	79%	0.791	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-59.2	-30.7	177.9	-73.6	-176.6	177.2	178.9	0	112.8	Q125 D129 I130	Q125-K127 PolarHBondContact O-N 3.3Å; K127-D129 PolarHBondContact O-N 3.04Å; K127-I130 WeakPolarHBondContact O-CB 3.31Å; K127-I130 PolarHBondContact O-N 3.47Å
128	D	55.9	Low	78.8	Confident	163 Å²	163	72.7 Å²	72.7	87%	0.872	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-73	-13.3	-179.8	-56	-28.8	0	0	0	113	P126 I130	P126-D128 PolarHBondContact O-N 2.92Å; D128-I130 VanDerWaalsContact C-N 3.31Å
129	D	61.5	Low	79.9	Confident	51 Å²	51	69.3 Å²	69.3	27%	0.273	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-88.4	-2.1	176.5	-155.6	19.8	0	0	0	112.4	P126 K127 K438 K462	P126-D129 HydrophobicContact CB-CB 4.48Å; P126-D129 WeakPolarHBondContact O-CB 3.17Å; P126-D129 PolarHBondContact O-N 3.25Å; K127-D129 PolarHBondContact O-N 3.04Å; D129-K438 PolarHBondContact O-NZ 3.34Å; D129-K438 WeakPolarHBondContact OD1-CE 3.44Å; D129-K438 IonicContact OD1-NZ 3.83Å; D129-K438 PolarHBondContact OD1-NZ 2.85Å; D129-K462 IonicContact OD2-NZ 3.76Å; D129-K462 PolarHBondContact OD2-NZ 3.37Å
130	I	68.7	Low	81	Confident	96 Å²	96	66.4 Å²	66.4	49%	0.492	34%	0.343	S	S	.	.	S	Bend	trans	-104.6	119.3	-174.1	-54.7	175.6	0	0	0	110.1	K127 D128	K127-I130 WeakPolarHBondContact O-CB 3.31Å; K127-I130 PolarHBondContact O-N 3.47Å; D128-I130 VanDerWaalsContact C-N 3.31Å
131	V	86.8	Confident	81.8	Confident	28 Å²	28	67.9 Å²	67.9	17%	0.17	35%	0.349	C	S	.	.			trans	-66.9	137.7	171.5	66.8	0	0	0	0	110.8	R133 M136 E602 F605	V131-R133 VanDerWaalsContact C-N 3.26Å; V131-R133 PolarHBondContact O-N 2.93Å; V131-M136 HydrophobicContact CG2-SD 4.37Å; V131-E602 HydrophobicContact CG1-CB 4.14Å; V131-E602 HydrophobicContact CG1-CG 3.9Å; V131-F605 HydrophobicContact CG2-CB 4.12Å; V131-F605 HydrophobicContact CG2-CD1 3.75Å; V131-F605 HydrophobicContact CG2-CG 4.35Å
132	D	90.1	Very high	82.7	Confident	74 Å²	74	71.5 Å²	71.5	40%	0.396	36%	0.361	S	S	.	.			trans	-71.9	85.4	168.6	-175.9	-10.7	0	0	0	109.7	T134 K135 M136	D132-T134 PolarHBondContact O-N 2.94Å; D132-T134 PolarHBondContact OD1-N 3.33Å; D132-K135 HydrophobicContact CB-CB 4.18Å; D132-K135 PolarHBondContact O-N 3Å; D132-K135 PolarHBondContact OD1-N 3.5Å; D132-K135 WeakPolarHBondContact OD2-CB 3.41Å; D132-M136 PolarHBondContact O-N 3.18Å
133	R	90.7	Very high	84	Confident	89 Å²	89	70.4 Å²	70.4	34%	0.336	35%	0.352	S	S	.	.	H	α-helix	trans	-56	-38.1	-178.1	-176.4	177.7	65.3	-146.3	-0.2	112.2	V131 K135 M136 E137 S464 Y465	V131-R133 VanDerWaalsContact C-N 3.26Å; V131-R133 PolarHBondContact O-N 2.93Å; R133-K135 VanDerWaalsContact C-N 3.34Å; R133-K135 PolarHBondContact O-N 3.46Å; R133-M136 HydrophobicContact CG-CE 4.46Å; R133-M136 PolarHBondContact O-N 3.33Å; R133-E137 WeakPolarHBondContact CD-OE1 3.48Å; R133-E137 HydrophobicContact CG-CG 4.04Å; R133-E137 WeakPolarHBondContact CG-OE1 3.33Å; R133-E137 IonicContact NE-OE1 2.74Å; R133-E137 WeakPolarHBondContact O-CB 3.44Å; R133-E137 WeakPolarHBondContact O-CG 3.38Å; R133-E137 PolarHBondContact O-N 3.17Å; R133-S464 PolarHBondContact NH1-OG 3.03Å; R133-Y465 VanDerWaalsContact NH1-CZ 3.33Å
134	T	91.4	Very high	85	Confident	108 Å²	108	71.7 Å²	71.7	66%	0.663	35%	0.348	S	S	*	.	H	α-helix	trans	-62.4	-46	-177.7	-52.8	0	0	0	0	110.5	D132 D138	D132-T134 PolarHBondContact O-N 2.94Å; D132-T134 PolarHBondContact OD1-N 3.33Å; T134-D138 PolarHBondContact O-N 3.14Å
135	K	94.8	Very high	86	Confident	47 Å²	47	70.1 Å²	70.1	20%	0.204	34%	0.34	C	S	.	.	H	α-helix	trans	-72.4	-35.3	-179.8	-160.6	175.4	-165.3	162.5	0	112.8	D132 R133 T139 F605 I607 E612 T615	D132-K135 HydrophobicContact CB-CB 4.18Å; D132-K135 PolarHBondContact O-N 3Å; D132-K135 PolarHBondContact OD1-N 3.5Å; D132-K135 WeakPolarHBondContact OD2-CB 3.41Å; R133-K135 VanDerWaalsContact C-N 3.34Å; R133-K135 PolarHBondContact O-N 3.46Å; K135-T139 PolarHBondContact O-N 2.94Å; K135-T139 PolarHBondContact O-OG1 3.09Å; K135-F605 HydrophobicContact CB-CE1 4.46Å; K135-F605 HydrophobicContact CB-CZ 4.26Å; K135-F605 HydrophobicContact CG-CZ 4.23Å; K135-I607 HydrophobicContact CD-CD1 3.72Å; K135-I607 HydrophobicContact CD-CG1 4.22Å; K135-E612 WeakPolarHBondContact CE-O 3.29Å; K135-E612 PolarHBondContact NZ-O 2.68Å; K135-T615 HydrophobicContact CD-CG2 4.2Å; K135-T615 HydrophobicContact CG-CG2 4.16Å
136	M	96.8	Very high	87.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-51.1	172.2	-175	-169.6	69.2	0	0	110.9	V131 D132 R133 D138 T139 L140 Y598 F601 E602 F605 F617	V131-M136 HydrophobicContact CG2-SD 4.37Å; D132-M136 PolarHBondContact O-N 3.18Å; R133-M136 HydrophobicContact CG-CE 4.46Å; R133-M136 PolarHBondContact O-N 3.33Å; M136-D138 VanDerWaalsContact C-N 3.33Å; M136-D138 PolarHBondContact O-N 2.99Å; M136-T139 WeakPolarHBondContact O-CB 3.43Å; M136-T139 PolarHBondContact O-N 3.09Å; M136-T139 VanDerWaalsContact O-N 3.1Å; M136-L140 HydrophobicContact CE-CD1 4.1Å; M136-L140 HydrophobicContact CG-CD1 3.95Å; M136-L140 HydrophobicContact CG-CG 4.38Å; M136-L140 VanDerWaalsContact O-CG 3.31Å; M136-L140 WeakPolarHBondContact O-CG 3.39Å; M136-L140 PolarHBondContact O-N 3.1Å; M136-L140 HydrophobicContact SD-CD1 4.41Å; M136-Y598 HydrophobicContact CE-CE2 4.2Å; M136-F601 VanDerWaalsContact SD-C 3.59Å; M136-F601 HydrophobicContact SD-CB 3.88Å; M136-E602 HydrophobicContact CE-CG 3.68Å; M136-E602 HydrophobicContact SD-CB 4.38Å; M136-E602 HydrophobicContact SD-CG 3.87Å; M136-F605 HydrophobicContact CB-CD1 3.9Å; M136-F605 HydrophobicContact CB-CD2 3.97Å; M136-F605 HydrophobicContact CB-CE1 3.95Å; M136-F605 HydrophobicContact CB-CE2 4.02Å; M136-F605 HydrophobicContact CB-CG 3.88Å; M136-F605 HydrophobicContact CB-CZ 4Å; M136-F605 HydrophobicContact CG-CB 4.03Å; M136-F605 HydrophobicContact CG-CD1 4.28Å; M136-F605 HydrophobicContact CG-CD2 3.75Å; M136-F605 HydrophobicContact CG-CE2 4.21Å; M136-F605 HydrophobicContact CG-CG 3.76Å; M136-F605 HydrophobicContact SD-CB 4.09Å; M136-F605 HydrophobicContact SD-CG 4.42Å; M136-F617 HydrophobicContact CG-CE1 4.04Å; M136-F617 HydrophobicContact CG-CZ 4.03Å; M136-F617 HydrophobicContact SD-CE1 4.47Å
137	E	95.1	Very high	88.9	Confident	42 Å²	42	67.9 Å²	67.9	20%	0.196	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-37.1	179.3	-74.6	-176.9	-176.4	0	0	112.6	R133 L140 K141	R133-E137 WeakPolarHBondContact CD-OE1 3.48Å; R133-E137 HydrophobicContact CG-CG 4.04Å; R133-E137 WeakPolarHBondContact CG-OE1 3.33Å; R133-E137 IonicContact NE-OE1 2.74Å; R133-E137 WeakPolarHBondContact O-CB 3.44Å; R133-E137 WeakPolarHBondContact O-CG 3.38Å; R133-E137 PolarHBondContact O-N 3.17Å; E137-L140 PolarHBondContact O-N 3.13Å; E137-K141 WeakPolarHBondContact O-CB 3.33Å; E137-K141 WeakPolarHBondContact O-CG 3.18Å; E137-K141 PolarHBondContact O-N 3.5Å
138	D	95.9	Very high	90.7	Very high	87 Å²	87	62.6 Å²	62.6	47%	0.465	30%	0.303	S	S	.	.	H	α-helix	trans	-58.3	-48.4	170.3	178	77	0	0	0	111.1	T134 M136 L140 K141 R142	T134-D138 PolarHBondContact O-N 3.14Å; M136-D138 VanDerWaalsContact C-N 3.33Å; M136-D138 PolarHBondContact O-N 2.99Å; D138-L140 PolarHBondContact O-N 3.4Å; D138-K141 PolarHBondContact O-N 2.87Å; D138-R142 WeakPolarHBondContact O-CB 3.48Å; D138-R142 PolarHBondContact O-N 3.14Å; D138-R142 IonicContact OD2-NE 3.81Å
139	T	97.6	Very high	92.6	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-45.8	178.4	-56.1	0	0	0	0	111	K135 M136 K141 R143 T615 F617 E675	K135-T139 PolarHBondContact O-N 2.94Å; K135-T139 PolarHBondContact O-OG1 3.09Å; M136-T139 WeakPolarHBondContact O-CB 3.43Å; M136-T139 PolarHBondContact O-N 3.09Å; M136-T139 VanDerWaalsContact O-N 3.1Å; T139-K141 PolarHBondContact O-N 2.98Å; T139-R143 HydrophobicContact CG2-CG 4.33Å; T139-R143 VanDerWaalsContact O-CB 3.29Å; T139-R143 WeakPolarHBondContact O-CB 3.45Å; T139-R143 WeakPolarHBondContact O-CG 3.48Å; T139-R143 PolarHBondContact O-N 3.26Å; T139-T615 PolarHBondContact OG1-OG1 3.28Å; T139-T615 VanDerWaalsContact OG1-OG1 3.14Å; T139-F617 HydrophobicContact CG2-CE2 3.97Å; T139-E675 HydrophobicContact CG2-CG 4.48Å
140	L	98.1	Very high	94.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-45.5	179	-69.9	168.2	0	0	0	111.7	M136 E137 D138 F144 F145 Y146 F601 F617	M136-L140 HydrophobicContact CE-CD1 4.1Å; M136-L140 HydrophobicContact CG-CD1 3.95Å; M136-L140 HydrophobicContact CG-CG 4.38Å; M136-L140 VanDerWaalsContact O-CG 3.31Å; M136-L140 WeakPolarHBondContact O-CG 3.39Å; M136-L140 PolarHBondContact O-N 3.1Å; M136-L140 HydrophobicContact SD-CD1 4.41Å; E137-L140 PolarHBondContact O-N 3.13Å; D138-L140 PolarHBondContact O-N 3.4Å; L140-F144 PolarHBondContact O-N 3.42Å; L140-F145 HydrophobicContact CB-CB 4.31Å; L140-F145 HydrophobicContact CD2-CB 3.75Å; L140-F145 HydrophobicContact CD2-CD1 3.98Å; L140-F145 HydrophobicContact CD2-CD2 3.79Å; L140-F145 HydrophobicContact CD2-CE1 4.47Å; L140-F145 HydrophobicContact CD2-CE2 4.29Å; L140-F145 HydrophobicContact CD2-CG 3.58Å; L140-F145 PolarHBondContact O-N 3.05Å; L140-Y146 HydrophobicContact CB-CE1 4.35Å; L140-Y146 HydrophobicContact CD1-CE1 4.01Å; L140-F601 HydrophobicContact CD1-CB 4.31Å; L140-F601 HydrophobicContact CD1-CD2 3.97Å; L140-F601 HydrophobicContact CD1-CG 4.19Å; L140-F601 HydrophobicContact CD2-CB 4.49Å; L140-F601 HydrophobicContact CD2-CD1 3.74Å; L140-F601 HydrophobicContact CD2-CD2 3.93Å; L140-F601 HydrophobicContact CD2-CE1 3.82Å; L140-F601 HydrophobicContact CD2-CE2 4.02Å; L140-F601 HydrophobicContact CD2-CG 3.82Å; L140-F601 HydrophobicContact CD2-CZ 3.98Å; L140-F617 HydrophobicContact CD2-CE1 4.35Å; L140-F617 HydrophobicContact CD2-CE2 4.21Å; L140-F617 HydrophobicContact CD2-CZ 3.65Å; L140-F617 HydrophobicContact CG-CZ 4Å
141	K	96.3	Very high	95.5	Very high	110 Å²	110	55.5 Å²	55.5	48%	0.478	27%	0.268	S	S	.	.	H	α-helix	trans	-69.9	-52.2	178.1	-71.6	174.8	-176.9	174.2	0	111.9	E137 D138 T139 R143 F144	E137-K141 WeakPolarHBondContact O-CB 3.33Å; E137-K141 WeakPolarHBondContact O-CG 3.18Å; E137-K141 PolarHBondContact O-N 3.5Å; D138-K141 PolarHBondContact O-N 2.87Å; T139-K141 PolarHBondContact O-N 2.98Å; K141-R143 PolarHBondContact O-N 3.35Å; K141-F144 PolarHBondContact O-N 3.29Å
142	R	97.5	Very high	95.9	Very high	126 Å²	126	61.8 Å²	61.8	48%	0.475	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-32.8	-177.8	-178.5	171	56	79.9	-3.1	112.6	D138 E675	D138-R142 WeakPolarHBondContact O-CB 3.48Å; D138-R142 PolarHBondContact O-N 3.14Å; D138-R142 IonicContact OD2-NE 3.81Å; R142-E675 IonicContact CZ-OE1 2.95Å; R142-E675 IonicContact CZ-OE2 3.84Å; R142-E675 IonicContact NH1-OE1 3.19Å; R142-E675 PolarHBondContact NH1-OE1 3.45Å; R142-E675 IonicContact NH1-OE2 3.39Å; R142-E675 PolarHBondContact NH1-OE2 3.33Å; R142-E675 IonicContact NH2-OE1 2.84Å; R142-E675 PolarHBondContact NH2-OE1 3.24Å; R142-E675 IonicContact NH2-OE2 2.86Å; R142-E675 PolarHBondContact NH2-OE2 3.34Å
143	R	97.8	Very high	96	Very high	50 Å²	50	68 Å²	68	19%	0.189	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	5.8	177.8	-57.2	-51.4	-59.5	-85.8	-9.1	114	T139 K141 F145 R672 E675 I676	T139-R143 HydrophobicContact CG2-CG 4.33Å; T139-R143 VanDerWaalsContact O-CB 3.29Å; T139-R143 WeakPolarHBondContact O-CB 3.45Å; T139-R143 WeakPolarHBondContact O-CG 3.48Å; T139-R143 PolarHBondContact O-N 3.26Å; K141-R143 PolarHBondContact O-N 3.35Å; R143-F145 HydrophobicContact CB-CD2 4.1Å; R143-F145 HydrophobicContact CB-CE2 4.1Å; R143-F145 PolarHBondContact O-N 3.08Å; R143-R672 VanDerWaalsContact CZ-O 3.3Å; R143-R672 PolarHBondContact NH1-O 3.34Å; R143-R672 PolarHBondContact NH2-O 2.81Å; R143-E675 WeakPolarHBondContact CD-OE2 3.42Å; R143-E675 HydrophobicContact CG-CB 4.46Å; R143-E675 IonicContact CZ-OE2 2.8Å; R143-E675 IonicContact NE-OE2 2.92Å; R143-E675 VanDerWaalsContact NH1-CB 3.29Å; R143-E675 IonicContact NH1-OE2 3.72Å; R143-E675 PolarHBondContact NH1-OE2 3.13Å; R143-I676 HydrophobicContact CB-CG2 3.73Å; R143-I676 HydrophobicContact CG-CG2 4.05Å; R143-I676 VanDerWaalsContact CZ-CG2 3.47Å; R143-I676 VanDerWaalsContact NH2-CG2 3.27Å
144	F	98.3	Very high	95.7	Very high	102 Å²	102	66.8 Å²	66.8	45%	0.447	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	52.2	175.7	-161.5	-157.4	0	0	0	112.8	L140 K141 D147 G163	L140-F144 PolarHBondContact O-N 3.42Å; K141-F144 PolarHBondContact O-N 3.29Å; F144-D147 HydrophobicContact CD2-CB 4.23Å; F144-D147 HydrophobicContact CE2-CB 4.04Å; F144-G163 CarbonylContact O-C 3.47Å; F144-G163 WeakPolarHBondContact O-CA 3.29Å
145	F	98.6	Very high	95.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-68.6	-54.8	164.6	-82	-98.9	0	0	0	109.7	L140 R143 G163 V165 G166 F601 F617 F619 I676	L140-F145 HydrophobicContact CB-CB 4.31Å; L140-F145 HydrophobicContact CD2-CB 3.75Å; L140-F145 HydrophobicContact CD2-CD1 3.98Å; L140-F145 HydrophobicContact CD2-CD2 3.79Å; L140-F145 HydrophobicContact CD2-CE1 4.47Å; L140-F145 HydrophobicContact CD2-CE2 4.29Å; L140-F145 HydrophobicContact CD2-CG 3.58Å; L140-F145 PolarHBondContact O-N 3.05Å; R143-F145 HydrophobicContact CB-CD2 4.1Å; R143-F145 HydrophobicContact CB-CE2 4.1Å; R143-F145 PolarHBondContact O-N 3.08Å; F145-G163 PolarHBondContact O-N 3.32Å; F145-V165 HydrophobicContact CD1-CB 4.22Å; F145-V165 HydrophobicContact CD1-CG1 3.81Å; F145-V165 HydrophobicContact CD2-CG1 4.41Å; F145-V165 HydrophobicContact CE1-CB 4.27Å; F145-V165 HydrophobicContact CE1-CG1 3.38Å; F145-V165 HydrophobicContact CE2-CG1 4.05Å; F145-V165 HydrophobicContact CG-CB 4.39Å; F145-V165 HydrophobicContact CG-CG1 4.33Å; F145-V165 HydrophobicContact CZ-CB 4.47Å; F145-V165 HydrophobicContact CZ-CG1 3.53Å; F145-G166 VanDerWaalsContact O-CA 3.31Å; F145-G166 WeakPolarHBondContact O-CA 3.36Å; F145-F601 HydrophobicContact CB-CZ 4.47Å; F145-F601 AromaticContact CD1-CE1 3.6Å; F145-F601 HydrophobicContact CD1-CE1 3.6Å; F145-F601 AromaticContact CD1-CZ 3.85Å; F145-F601 HydrophobicContact CD1-CZ 3.85Å; F145-F601 AromaticContact CE1-CE1 3.85Å; F145-F601 HydrophobicContact CE1-CE1 3.85Å; F145-F601 HydrophobicContact CG-CE1 4.48Å; F145-F617 HydrophobicContact CE2-CD2 4.42Å; F145-F617 HydrophobicContact CE2-CE2 4.04Å; F145-F617 AromaticContact CZ-CD2 4Å; F145-F617 HydrophobicContact CZ-CD2 4Å; F145-F617 AromaticContact CZ-CE2 3.99Å; F145-F617 HydrophobicContact CZ-CE2 3.99Å; F145-F619 AromaticContact CE1-CE2 3.79Å; F145-F619 HydrophobicContact CE1-CE2 3.79Å; F145-F619 AromaticContact CE1-CZ 3.84Å; F145-F619 HydrophobicContact CE1-CZ 3.84Å; F145-F619 HydrophobicContact CZ-CE2 4Å; F145-F619 HydrophobicContact CZ-CZ 4.22Å; F145-I676 HydrophobicContact CE2-CB 4.44Å; F145-I676 HydrophobicContact CE2-CG2 4.13Å; F145-I676 HydrophobicContact CZ-CB 4.34Å
146	Y	98.3	Very high	95.5	Very high	7 Å²	7	63 Å²	63	3%	0.027	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159	167.5	67.2	-90.4	0	0	0	109.5	L140 Y160 D161 F162 L352 F601	L140-Y146 HydrophobicContact CB-CE1 4.35Å; L140-Y146 HydrophobicContact CD1-CE1 4.01Å; Y146-Y160 AromaticContact CD2-CD1 3.69Å; Y146-Y160 HydrophobicContact CD2-CD1 3.69Å; Y146-Y160 HydrophobicContact CD2-CE1 4.28Å; Y146-Y160 HydrophobicContact CD2-CG 4.25Å; Y146-Y160 HydrophobicContact CE2-CD1 4.01Å; Y146-Y160 HydrophobicContact CE2-CE1 4.14Å; Y146-D161 CarbonylContact C-O 3.5Å; Y146-D161 WeakPolarHBondContact CA-O 3.45Å; Y146-D161 WeakPolarHBondContact CB-O 3.43Å; Y146-F162 HydrophobicContact CD1-CE1 4.47Å; Y146-F162 HydrophobicContact CG-CE1 4.39Å; Y146-L352 HydrophobicContact CD1-CD1 3.73Å; Y146-L352 HydrophobicContact CD1-CG 4.35Å; Y146-L352 HydrophobicContact CD2-CD2 4.21Å; Y146-L352 HydrophobicContact CD2-CG 4.36Å; Y146-L352 HydrophobicContact CE1-CD1 3.63Å; Y146-L352 HydrophobicContact CE1-CG 4.08Å; Y146-L352 HydrophobicContact CE2-CD1 4.49Å; Y146-L352 HydrophobicContact CE2-CD2 4.35Å; Y146-L352 HydrophobicContact CE2-CG 4.11Å; Y146-L352 HydrophobicContact CG-CD1 4.2Å; Y146-L352 HydrophobicContact CG-CD2 4.41Å; Y146-L352 HydrophobicContact CG-CG 4.48Å; Y146-F601 HydrophobicContact CD1-CE2 4.16Å; Y146-F601 HydrophobicContact CE1-CD2 4.41Å; Y146-F601 AromaticContact CE1-CE2 3.98Å; Y146-F601 HydrophobicContact CE1-CE2 3.98Å
147	D	97.8	Very high	95.2	Very high	62 Å²	62	66.2 Å²	66.2	33%	0.332	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	168.7	172	-159.9	9.5	0	0	0	110.7	F144 A149 Y160 D161	F144-D147 HydrophobicContact CD2-CB 4.23Å; F144-D147 HydrophobicContact CE2-CB 4.04Å; D147-A149 PolarHBondContact O-N 3.36Å; D147-Y160 CarbonylContact O-C 3.55Å; D147-Y160 VanDerWaalsContact O-CA 3.29Å; D147-Y160 WeakPolarHBondContact O-CA 3.48Å; D147-Y160 WeakPolarHBondContact O-CD1 3.24Å; D147-D161 PolarHBondContact N-O 2.96Å; D147-D161 PolarHBondContact O-N 3.27Å
148	Q	96.6	Very high	95.1	Very high	70 Å²	70	64.2 Å²	64.2	33%	0.327	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	126.1	178.8	-171.4	173.7	15.5	0	0	110.6	F150 A151	Q148-F150 PolarHBondContact O-N 2.97Å; Q148-A151 WeakPolarHBondContact O-CB 3.33Å; Q148-A151 PolarHBondContact O-N 2.8Å
149	A	97	Very high	95.2	Very high	2 Å²	2	61.9 Å²	61.9	2%	0.017	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	138.8	179.1	0	0	0	0	0	110.2	D147 A151 G155 V156 L159 D161	D147-A149 PolarHBondContact O-N 3.36Å; A149-A151 VanDerWaalsContact C-N 3.28Å; A149-A151 PolarHBondContact O-N 2.81Å; A149-G155 WeakPolarHBondContact O-CA 3.44Å; A149-V156 PolarHBondContact O-N 2.85Å; A149-L159 HydrophobicContact CB-CB 3.72Å; A149-L159 PolarHBondContact N-O 3.11Å; A149-D161 WeakPolarHBondContact CA-OD2 3.26Å
150	F	96.9	Very high	95.2	Very high	113 Å²	113	65 Å²	65	50%	0.496	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	31.1	-177.8	-40.6	-78.6	0	0	0	114.1	Q148 I152 Y153 G155 V156 L159	Q148-F150 PolarHBondContact O-N 2.97Å; F150-I152 VanDerWaalsContact C-N 3.27Å; F150-I152 PolarHBondContact O-N 3.35Å; F150-I152 VanDerWaalsContact O-N 3.15Å; F150-Y153 WeakPolarHBondContact O-CA 3.26Å; F150-Y153 WeakPolarHBondContact O-CB 3.29Å; F150-Y153 PolarHBondContact O-N 2.6Å; F150-G155 WeakPolarHBondContact O-CA 3.29Å; F150-G155 PolarHBondContact O-N 3.15Å; F150-V156 HydrophobicContact CD2-CB 4.42Å; F150-V156 HydrophobicContact CD2-CG2 3.95Å; F150-L159 HydrophobicContact CE2-CD1 4.12Å
151	A	94.2	Very high	95.2	Very high	47 Å²	47	69 Å²	69	39%	0.388	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-49.9	-41.8	-176.3	0	0	0	0	0	114.2	Q148 A149 Y153 G154	Q148-A151 WeakPolarHBondContact O-CB 3.33Å; Q148-A151 PolarHBondContact O-N 2.8Å; A149-A151 VanDerWaalsContact C-N 3.28Å; A149-A151 PolarHBondContact O-N 2.81Å; A151-Y153 PolarHBondContact O-N 2.75Å; A151-Y153 VanDerWaalsContact O-N 3.16Å; A151-G154 PolarHBondContact O-N 3.18Å
152	I	94.8	Very high	95.3	Very high	160 Å²	160	66.1 Å²	66.1	82%	0.821	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-67.4	-14	179.1	67.4	174.7	0	0	0	113.9	F150	F150-I152 VanDerWaalsContact C-N 3.27Å; F150-I152 PolarHBondContact O-N 3.35Å; F150-I152 VanDerWaalsContact O-N 3.15Å
153	Y	92.2	Very high	95.3	Very high	203 Å²	203	60.3 Å²	60.3	80%	0.796	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-99.5	10.1	173.6	-72.3	-91.3	0	0	0	112.6	F150 A151	F150-Y153 WeakPolarHBondContact O-CA 3.26Å; F150-Y153 WeakPolarHBondContact O-CB 3.29Å; F150-Y153 PolarHBondContact O-N 2.6Å; A151-Y153 PolarHBondContact O-N 2.75Å; A151-Y153 VanDerWaalsContact O-N 3.16Å
154	G	84.6	Confident	95.4	Very high	65 Å²	65	61.7 Å²	61.7	67%	0.67	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	-6	-175.8	0	0	0	0	0	114.3	A151	A151-G154 PolarHBondContact O-N 3.18Å
155	G	90.7	Very high	95.3	Very high	22 Å²	22	57.4 Å²	57.4	23%	0.227	32%	0.317	C	S	.	.			trans	74.8	157	175.5	0	0	0	0	0	114.9	A149 F150	A149-G155 WeakPolarHBondContact O-CA 3.44Å; F150-G155 WeakPolarHBondContact O-CA 3.29Å; F150-G155 PolarHBondContact O-N 3.15Å
156	V	90.8	Very high	95.3	Very high	54 Å²	54	57.4 Å²	57.4	33%	0.327	32%	0.317	S	S	.	.			trans	-119.6	120.7	174.5	-177.9	0	0	0	0	109.9	A149 F150 G158 L159	A149-V156 PolarHBondContact O-N 2.85Å; F150-V156 HydrophobicContact CD2-CB 4.42Å; F150-V156 HydrophobicContact CD2-CG2 3.95Å; V156-G158 PolarHBondContact O-N 3.33Å; V156-L159 HydrophobicContact CB-CB 4.4Å; V156-L159 HydrophobicContact CB-CD1 3.98Å; V156-L159 HydrophobicContact CB-CG 4.39Å; V156-L159 HydrophobicContact CG1-CD1 3.72Å; V156-L159 HydrophobicContact CG1-CG 4.08Å; V156-L159 PolarHBondContact O-N 3.16Å
157	S	90.2	Very high	95.3	Very high	66 Å²	66	59.5 Å²	59.5	46%	0.462	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	134	-179.8	-55.4	0	0	0	0	111.7	L159 P348	S157-L159 VanDerWaalsContact C-N 3.31Å; S157-P348 WeakPolarHBondContact O-CG 3.18Å
158	G	92.6	Very high	95.4	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.01	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	5	-177.9	0	0	0	0	0	114.8	V156 V355 R356	V156-G158 PolarHBondContact O-N 3.33Å; G158-V355 CarbonylContact O-C 3.59Å; G158-V355 WeakPolarHBondContact O-CA 3.43Å; G158-V355 VanDerWaalsContact O-CB 3.32Å; G158-V355 WeakPolarHBondContact O-CB 3.43Å; G158-R356 PolarHBondContact O-N 3.26Å
159	L	97.4	Very high	95.5	Very high	38 Å²	38	54.2 Å²	54.2	20%	0.199	31%	0.309	C	S	.	.			trans	-116.6	133.6	170.6	-60.6	-178.1	0	0	0	109.8	A149 F150 V156 S157 R356 E357	A149-L159 HydrophobicContact CB-CB 3.72Å; A149-L159 PolarHBondContact N-O 3.11Å; F150-L159 HydrophobicContact CE2-CD1 4.12Å; V156-L159 HydrophobicContact CB-CB 4.4Å; V156-L159 HydrophobicContact CB-CD1 3.98Å; V156-L159 HydrophobicContact CB-CG 4.39Å; V156-L159 HydrophobicContact CG1-CD1 3.72Å; V156-L159 HydrophobicContact CG1-CG 4.08Å; V156-L159 PolarHBondContact O-N 3.16Å; S157-L159 VanDerWaalsContact C-N 3.31Å; L159-R356 HydrophobicContact CD2-CB 3.93Å; L159-E357 HydrophobicContact CD2-CB 3.97Å
160	Y	98.1	Very high	95.6	Very high	67 Å²	67	56 Å²	56	26%	0.263	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.6	-176.2	-66.5	-83.3	0	0	0	110.7	Y146 D147 G351 L352 V355	Y146-Y160 AromaticContact CD2-CD1 3.69Å; Y146-Y160 HydrophobicContact CD2-CD1 3.69Å; Y146-Y160 HydrophobicContact CD2-CE1 4.28Å; Y146-Y160 HydrophobicContact CD2-CG 4.25Å; Y146-Y160 HydrophobicContact CE2-CD1 4.01Å; Y146-Y160 HydrophobicContact CE2-CE1 4.14Å; D147-Y160 CarbonylContact O-C 3.55Å; D147-Y160 VanDerWaalsContact O-CA 3.29Å; D147-Y160 WeakPolarHBondContact O-CA 3.48Å; D147-Y160 WeakPolarHBondContact O-CD1 3.24Å; Y160-G351 WeakPolarHBondContact CE2-O 3.16Å; Y160-L352 HydrophobicContact CD2-CD2 3.82Å; Y160-L352 HydrophobicContact CE2-CD2 4.49Å; Y160-L352 HydrophobicContact CG-CD2 3.89Å; Y160-V355 HydrophobicContact CD2-CG1 3.7Å; Y160-V355 HydrophobicContact CE2-CG1 3.77Å
161	D	98.5	Very high	95.7	Very high	83 Å²	83	55.3 Å²	55.3	44%	0.444	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.2	173.6	-65.5	-31.6	0	0	0	109.2	Y146 D147 A149	Y146-D161 CarbonylContact C-O 3.5Å; Y146-D161 WeakPolarHBondContact CA-O 3.45Å; Y146-D161 WeakPolarHBondContact CB-O 3.43Å; D147-D161 PolarHBondContact N-O 2.96Å; D147-D161 PolarHBondContact O-N 3.27Å; A149-D161 WeakPolarHBondContact CA-OD2 3.26Å
162	F	98.5	Very high	95.9	Very high	51 Å²	51	54.7 Å²	54.7	22%	0.224	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.3	174.9	-70.5	-77.9	0	0	0	110.2	Y146 C167 K170 L352 M597	Y146-F162 HydrophobicContact CD1-CE1 4.47Å; Y146-F162 HydrophobicContact CG-CE1 4.39Å; F162-C167 PolarHBondContact O-SG 3.44Å; F162-K170 HydrophobicContact CD2-CD 4.5Å; F162-L352 HydrophobicContact CE1-CD1 3.97Å; F162-L352 HydrophobicContact CE1-CD2 4.4Å; F162-L352 HydrophobicContact CZ-CD1 4.1Å; F162-L352 HydrophobicContact CZ-CD2 3.95Å; F162-M597 HydrophobicContact CD1-CE 3.87Å; F162-M597 HydrophobicContact CE1-CE 3.07Å; F162-M597 HydrophobicContact CE1-SD 4.26Å; F162-M597 HydrophobicContact CE2-CE 4.43Å; F162-M597 HydrophobicContact CZ-CE 3.41Å; F162-M597 VanDerWaalsContact CZ-CE 3.41Å
163	G	98.2	Very high	96.1	Very high	4 Å²	4	47.1 Å²	47.1	4%	0.041	27%	0.269	C	S	.	.			trans	-77	-174.5	174.6	0	0	0	0	0	112.2	F144 F145 V165 G166 C167	F144-G163 CarbonylContact O-C 3.47Å; F144-G163 WeakPolarHBondContact O-CA 3.29Å; F145-G163 PolarHBondContact O-N 3.32Å; G163-V165 VanDerWaalsContact C-N 3.3Å; G163-V165 PolarHBondContact O-N 2.8Å; G163-G166 PolarHBondContact O-N 2.87Å; G163-C167 WeakPolarHBondContact O-CB 3.47Å; G163-C167 PolarHBondContact O-N 3.42Å
164	P	98.3	Very high	96.4	Very high	79 Å²	79	38.1 Å²	38.1	51%	0.513	23%	0.234	S	C	.	.	H	α-helix	trans	-56.2	-41.5	-170.7	-27.1	34.8	0	0	0	114.1	A168	P164-A168 WeakPolarHBondContact O-CB 3.27Å; P164-A168 PolarHBondContact O-N 3.08Å; P164-A168 VanDerWaalsContact O-N 3.13Å
165	V	97.8	Very high	97.1	Very high	11 Å²	11	39.5 Å²	39.5	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-74.3	-42.2	-177.1	-171.9	0	0	0	0	111	F145 G163 A168 L169 P625 Y626 I676	F145-V165 HydrophobicContact CD1-CB 4.22Å; F145-V165 HydrophobicContact CD1-CG1 3.81Å; F145-V165 HydrophobicContact CD2-CG1 4.41Å; F145-V165 HydrophobicContact CE1-CB 4.27Å; F145-V165 HydrophobicContact CE1-CG1 3.38Å; F145-V165 HydrophobicContact CE2-CG1 4.05Å; F145-V165 HydrophobicContact CG-CB 4.39Å; F145-V165 HydrophobicContact CG-CG1 4.33Å; F145-V165 HydrophobicContact CZ-CB 4.47Å; F145-V165 HydrophobicContact CZ-CG1 3.53Å; G163-V165 VanDerWaalsContact C-N 3.3Å; G163-V165 PolarHBondContact O-N 2.8Å; V165-A168 PolarHBondContact O-N 3.14Å; V165-L169 PolarHBondContact O-N 2.96Å; V165-P625 HydrophobicContact CG1-CB 3.68Å; V165-P625 HydrophobicContact CG1-CG 3.46Å; V165-P625 VanDerWaalsContact CG1-CG 3.46Å; V165-Y626 HydrophobicContact CG2-CE2 4.47Å; V165-I676 HydrophobicContact CG1-CB 3.98Å; V165-I676 HydrophobicContact CG1-CG2 4.37Å; V165-I676 HydrophobicContact CG2-CB 4.29Å; V165-I676 HydrophobicContact CG2-CD1 4.49Å; V165-I676 HydrophobicContact CG2-CG2 4.05Å
166	G	98.3	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-39.1	177.6	0	0	0	0	0	112.6	F145 G163 L169 K170	F145-G166 VanDerWaalsContact O-CA 3.31Å; F145-G166 WeakPolarHBondContact O-CA 3.36Å; G163-G166 PolarHBondContact O-N 2.87Å; G166-L169 PolarHBondContact O-N 3.03Å; G166-K170 VanDerWaalsContact O-CB 3.28Å; G166-K170 WeakPolarHBondContact O-CB 3.47Å; G166-K170 PolarHBondContact O-N 2.78Å
167	C	98.8	Very high	97.8	Very high	51 Å²	51	36.2 Å²	36.2	35%	0.345	20%	0.199	S	C	.	.	H	α-helix	trans	-59.2	-47.2	172	-81.9	0	0	0	0	111.7	F162 G163 K170 N171	F162-C167 PolarHBondContact O-SG 3.44Å; G163-C167 WeakPolarHBondContact O-CB 3.47Å; G163-C167 PolarHBondContact O-N 3.42Å; C167-K170 PolarHBondContact O-N 3.48Å; C167-N171 WeakPolarHBondContact O-CB 3.2Å; C167-N171 PolarHBondContact O-N 2.85Å; C167-N171 PolarHBondContact O-ND2 3.16Å
168	A	98.6	Very high	98.2	Very high	21 Å²	21	36.7 Å²	36.7	17%	0.174	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-44	177.9	0	0	0	0	0	112.2	P164 V165 N171 N172 P625	P164-A168 WeakPolarHBondContact O-CB 3.27Å; P164-A168 PolarHBondContact O-N 3.08Å; P164-A168 VanDerWaalsContact O-N 3.13Å; V165-A168 PolarHBondContact O-N 3.14Å; A168-N171 PolarHBondContact O-N 3.45Å; A168-N172 PolarHBondContact O-N 3.39Å; A168-N172 PolarHBondContact O-ND2 3.27Å; A168-P625 HydrophobicContact CB-CB 3.97Å
169	L	98.8	Very high	98.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-50.8	175	-177.9	58.2	0	0	0	111.7	V165 G166 N171 N172 I173 M597 F601 F619 V623 P625	V165-L169 PolarHBondContact O-N 2.96Å; G166-L169 PolarHBondContact O-N 3.03Å; L169-N171 VanDerWaalsContact C-N 3.31Å; L169-N171 PolarHBondContact O-N 2.87Å; L169-N172 PolarHBondContact O-N 3.06Å; L169-N172 VanDerWaalsContact O-N 3.17Å; L169-I173 HydrophobicContact CD1-CD1 4.07Å; L169-I173 HydrophobicContact CD1-CG1 4.27Å; L169-I173 HydrophobicContact CG-CD1 3.85Å; L169-I173 HydrophobicContact CG-CG1 4.46Å; L169-I173 WeakPolarHBondContact O-CG1 3.24Å; L169-I173 PolarHBondContact O-N 2.93Å; L169-M597 HydrophobicContact CB-SD 4.48Å; L169-M597 HydrophobicContact CD2-CG 3.86Å; L169-M597 HydrophobicContact CD2-SD 4.09Å; L169-M597 HydrophobicContact CG-CG 4.37Å; L169-M597 HydrophobicContact CG-SD 4.24Å; L169-F601 HydrophobicContact CD2-CD1 4.21Å; L169-F601 HydrophobicContact CD2-CE1 3.32Å; L169-F601 HydrophobicContact CD2-CZ 3.83Å; L169-F619 HydrophobicContact CD2-CE1 4.11Å; L169-F619 HydrophobicContact CD2-CE2 4.42Å; L169-F619 HydrophobicContact CD2-CZ 3.96Å; L169-V623 HydrophobicContact CD1-CB 4.13Å; L169-V623 HydrophobicContact CD1-CG2 4.32Å; L169-V623 VanDerWaalsContact CD1-O 3.27Å; L169-V623 WeakPolarHBondContact CD1-O 3.48Å; L169-P625 HydrophobicContact CB-CG 4.19Å
170	K	98.8	Very high	98.6	Very high	39 Å²	39	39.5 Å²	39.5	17%	0.17	20%	0.203	C	C	.	.	H	α-helix	trans	-57	-45	178.9	-178.1	-178	176.9	-176.8	0	111.5	F162 G166 C167 I173 L174 T359 I593 M597	F162-K170 HydrophobicContact CD2-CD 4.5Å; G166-K170 VanDerWaalsContact O-CB 3.28Å; G166-K170 WeakPolarHBondContact O-CB 3.47Å; G166-K170 PolarHBondContact O-N 2.78Å; C167-K170 PolarHBondContact O-N 3.48Å; K170-I173 PolarHBondContact O-N 2.97Å; K170-L174 HydrophobicContact CG-CD1 4.27Å; K170-L174 WeakPolarHBondContact O-CG 3.26Å; K170-L174 PolarHBondContact O-N 3.02Å; K170-T359 VanDerWaalsContact CE-OG1 3.23Å; K170-T359 WeakPolarHBondContact CE-OG1 3.33Å; K170-T359 PolarHBondContact NZ-OG1 3.43Å; K170-I593 HydrophobicContact CG-CG2 4.19Å; K170-M597 HydrophobicContact CB-CE 4.45Å; K170-M597 HydrophobicContact CB-SD 4.12Å
171	N	98.8	Very high	98.6	Very high	99 Å²	99	36.3 Å²	36.3	53%	0.529	19%	0.19	S	C	.	.	H	α-helix	trans	-63.6	-41.9	178	-72	-14.4	0	0	0	111.8	C167 A168 L169 L174 Q175	C167-N171 WeakPolarHBondContact O-CB 3.2Å; C167-N171 PolarHBondContact O-N 2.85Å; C167-N171 PolarHBondContact O-ND2 3.16Å; A168-N171 PolarHBondContact O-N 3.45Å; L169-N171 VanDerWaalsContact C-N 3.31Å; L169-N171 PolarHBondContact O-N 2.87Å; N171-L174 PolarHBondContact O-N 2.93Å; N171-Q175 WeakPolarHBondContact O-CB 3.46Å; N171-Q175 PolarHBondContact O-N 3.47Å
172	N	98.8	Very high	98.6	Very high	35 Å²	35	33.3 Å²	33.3	19%	0.187	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-40.8	176.9	-64.6	-24.9	0	0	0	112	A168 L169 L174 Q175 V176 V623 A624 K627	A168-N172 PolarHBondContact O-N 3.39Å; A168-N172 PolarHBondContact O-ND2 3.27Å; L169-N172 PolarHBondContact O-N 3.06Å; L169-N172 VanDerWaalsContact O-N 3.17Å; N172-L174 PolarHBondContact O-N 3.02Å; N172-Q175 PolarHBondContact O-N 3.31Å; N172-V176 WeakPolarHBondContact O-CG2 3.47Å; N172-V176 PolarHBondContact O-N 2.84Å; N172-V623 HydrophobicContact CB-CB 4.4Å; N172-V623 WeakPolarHBondContact CB-O 3.42Å; N172-V623 PolarHBondContact ND2-O 3.49Å; N172-A624 PolarHBondContact ND2-O 3.5Å; N172-K627 PolarHBondContact ND2-NZ 2.95Å
173	I	98.8	Very high	98.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-49.5	174.2	-71.3	169.4	0	0	0	110	L169 K170 Q175 V176 W177 Y428 I593 M597 I600 V623	L169-I173 HydrophobicContact CD1-CD1 4.07Å; L169-I173 HydrophobicContact CD1-CG1 4.27Å; L169-I173 HydrophobicContact CG-CD1 3.85Å; L169-I173 HydrophobicContact CG-CG1 4.46Å; L169-I173 WeakPolarHBondContact O-CG1 3.24Å; L169-I173 PolarHBondContact O-N 2.93Å; K170-I173 PolarHBondContact O-N 2.97Å; I173-Q175 VanDerWaalsContact C-N 3.35Å; I173-Q175 PolarHBondContact O-N 3Å; I173-V176 PolarHBondContact O-N 3.29Å; I173-W177 WeakPolarHBondContact O-CB 3.29Å; I173-W177 PolarHBondContact O-N 2.87Å; I173-Y428 WeakPolarHBondContact CG2-OH 3.25Å; I173-I593 HydrophobicContact CG2-CG2 4.44Å; I173-M597 HydrophobicContact CD1-CB 4.05Å; I173-M597 HydrophobicContact CD1-CG 4.13Å; I173-I600 HydrophobicContact CD1-CD1 3.65Å; I173-I600 HydrophobicContact CG1-CD1 4.21Å; I173-V623 HydrophobicContact CG1-CB 4.38Å; I173-V623 HydrophobicContact CG1-CG1 4.22Å
174	L	98.8	Very high	98.6	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.073	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-38.1	177.4	-72.3	173.5	0	0	0	112.5	K170 N171 N172 W177 R178 I338 I593	K170-L174 HydrophobicContact CG-CD1 4.27Å; K170-L174 WeakPolarHBondContact O-CG 3.26Å; K170-L174 PolarHBondContact O-N 3.02Å; N171-L174 PolarHBondContact O-N 2.93Å; N172-L174 PolarHBondContact O-N 3.02Å; L174-W177 WeakPolarHBondContact O-CB 3.39Å; L174-W177 PolarHBondContact O-N 3.34Å; L174-R178 WeakPolarHBondContact O-CG 3.24Å; L174-R178 PolarHBondContact O-N 3.28Å; L174-I338 HydrophobicContact CD1-CG2 4.26Å; L174-I338 HydrophobicContact CD2-CD1 4.48Å; L174-I338 HydrophobicContact CD2-CG2 3.7Å; L174-I593 HydrophobicContact CD2-CD1 3.82Å; L174-I593 HydrophobicContact CD2-CG1 3.84Å; L174-I593 HydrophobicContact CD2-CG2 4.36Å
175	Q	98.7	Very high	98.6	Very high	94 Å²	94	39 Å²	39	44%	0.439	19%	0.193	S	C	.	.	H	α-helix	trans	-66.6	-42.8	177.3	-176	60.1	20.7	0	0	111.7	N171 N172 I173 W177 R178 Q179	N171-Q175 WeakPolarHBondContact O-CB 3.46Å; N171-Q175 PolarHBondContact O-N 3.47Å; N172-Q175 PolarHBondContact O-N 3.31Å; I173-Q175 VanDerWaalsContact C-N 3.35Å; I173-Q175 PolarHBondContact O-N 3Å; Q175-W177 VanDerWaalsContact C-N 3.27Å; Q175-W177 PolarHBondContact O-N 2.95Å; Q175-R178 PolarHBondContact O-N 2.89Å; Q175-Q179 WeakPolarHBondContact O-CG 3.2Å; Q175-Q179 PolarHBondContact O-N 2.84Å
176	V	98.6	Very high	98.6	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-38.4	173	172.3	0	0	0	0	110.3	N172 I173 Q179 H180 Y428 K431 V432 V623	N172-V176 WeakPolarHBondContact O-CG2 3.47Å; N172-V176 PolarHBondContact O-N 2.84Å; I173-V176 PolarHBondContact O-N 3.29Å; V176-Q179 PolarHBondContact O-N 2.8Å; V176-H180 WeakPolarHBondContact O-CB 3.48Å; V176-H180 PolarHBondContact O-N 3.1Å; V176-Y428 HydrophobicContact CG1-CD2 4.25Å; V176-Y428 HydrophobicContact CG1-CE2 4.2Å; V176-K431 HydrophobicContact CG1-CD 3.97Å; V176-K431 HydrophobicContact CG1-CG 4.33Å; V176-V432 HydrophobicContact CB-CG1 4.34Å; V176-V432 HydrophobicContact CG1-CG1 3.9Å; V176-V623 HydrophobicContact CG2-CG1 4.01Å
177	W	98.9	Very high	98.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-46.1	175	-169.5	94.7	0	0	0	112	I173 L174 Q175 Q179 H180 F181 I182 A336 I338 A361 I363 Y428 F591	I173-W177 WeakPolarHBondContact O-CB 3.29Å; I173-W177 PolarHBondContact O-N 2.87Å; L174-W177 WeakPolarHBondContact O-CB 3.39Å; L174-W177 PolarHBondContact O-N 3.34Å; Q175-W177 VanDerWaalsContact C-N 3.27Å; Q175-W177 PolarHBondContact O-N 2.95Å; W177-Q179 PolarHBondContact O-N 2.86Å; W177-H180 PolarHBondContact O-N 3.38Å; W177-H180 VanDerWaalsContact O-N 3.15Å; W177-F181 AromaticContact CD1-CD2 3.49Å; W177-F181 VanDerWaalsContact CD1-CD2 3.49Å; W177-F181 AromaticContact CD1-CE2 3.52Å; W177-F181 AromaticContact CD2-CD2 3.84Å; W177-F181 HydrophobicContact CD2-CD2 3.84Å; W177-F181 AromaticContact CE2-CD2 3.61Å; W177-F181 AromaticContact CG-CD2 3.79Å; W177-F181 HydrophobicContact CG-CD2 3.79Å; W177-F181 HydrophobicContact CG-CE2 4.23Å; W177-F181 HydrophobicContact CZ2-CB 4.48Å; W177-F181 HydrophobicContact CZ2-CD2 4.31Å; W177-F181 AromaticContact NE1-CD2 3.37Å; W177-F181 AromaticContact NE1-CE2 3.49Å; W177-F181 PolarHBondContact O-N 3.34Å; W177-I182 HydrophobicContact CE3-CD1 4.3Å; W177-I182 HydrophobicContact CE3-CG1 4.17Å; W177-I182 HydrophobicContact CH2-CG1 4.49Å; W177-I182 HydrophobicContact CZ3-CD1 3.75Å; W177-I182 HydrophobicContact CZ3-CG1 3.64Å; W177-A336 HydrophobicContact CH2-CB 4.01Å; W177-A336 HydrophobicContact CZ3-CB 4.4Å; W177-I338 HydrophobicContact CE3-CD1 3.7Å; W177-I338 HydrophobicContact CE3-CG1 4.15Å; W177-I338 HydrophobicContact CZ3-CD1 3.75Å; W177-I338 HydrophobicContact CZ3-CG1 3.85Å; W177-A361 HydrophobicContact CD2-CB 3.87Å; W177-A361 HydrophobicContact CE3-CB 4.15Å; W177-A361 HydrophobicContact CH2-CB 3.82Å; W177-A361 HydrophobicContact CZ2-CB 3.53Å; W177-A361 HydrophobicContact CZ3-CB 4.11Å; W177-I363 HydrophobicContact CH2-CD1 3.97Å; W177-I363 HydrophobicContact CH2-CG1 3.6Å; W177-I363 HydrophobicContact CZ2-CD1 3.63Å; W177-I363 HydrophobicContact CZ2-CG1 3.59Å; W177-Y428 HydrophobicContact CB-CD2 4.5Å; W177-Y428 HydrophobicContact CB-CE2 3.68Å; W177-Y428 AromaticContact CD1-CE1 3.79Å; W177-Y428 AromaticContact CD1-CE2 3.84Å; W177-Y428 AromaticContact CD1-CZ 3.55Å; W177-Y428 HydrophobicContact CG-CE2 4.18Å; W177-F591 AromaticContact CE2-CD2 3.88Å; W177-F591 AromaticContact CE2-CE2 3.89Å; W177-F591 AromaticContact CZ2-CD2 3.83Å; W177-F591 HydrophobicContact CZ2-CD2 3.83Å; W177-F591 AromaticContact CZ2-CE2 3.81Å; W177-F591 HydrophobicContact CZ2-CE2 3.81Å; W177-F591 AromaticContact NE1-CD1 3.52Å; W177-F591 AromaticContact NE1-CD2 3.32Å; W177-F591 VanDerWaalsContact NE1-CD2 3.32Å; W177-F591 AromaticContact NE1-CE1 3.56Å; W177-F591 AromaticContact NE1-CE2 3.34Å; W177-F591 VanDerWaalsContact NE1-CE2 3.34Å; W177-F591 AromaticContact NE1-CG 3.41Å; W177-F591 AromaticContact NE1-CZ 3.47Å
178	R	98.9	Very high	98.7	Very high	77 Å²	77	45 Å²	45	29%	0.291	22%	0.216	S	C	.	.	I	π-helix	trans	-57.9	-46.9	174.9	-73	-164.8	171.5	84.6	2.8	111.9	L174 Q175 H180 I182 Q183 E189 I338	L174-R178 WeakPolarHBondContact O-CG 3.24Å; L174-R178 PolarHBondContact O-N 3.28Å; Q175-R178 PolarHBondContact O-N 2.89Å; R178-H180 VanDerWaalsContact C-N 3.31Å; R178-H180 PolarHBondContact O-N 3Å; R178-I182 HydrophobicContact CB-CD1 4.29Å; R178-I182 HydrophobicContact CG-CD1 3.78Å; R178-I182 CarbonylContact O-C 3.52Å; R178-I182 WeakPolarHBondContact O-CA 3.44Å; R178-I182 WeakPolarHBondContact O-CB 3.09Å; R178-I182 PolarHBondContact O-N 3.48Å; R178-Q183 PolarHBondContact O-N 3.06Å; R178-E189 IonicContact CZ-OE1 3.74Å; R178-E189 IonicContact NE-OE1 3.86Å; R178-E189 PolarHBondContact NE-OE1 3.36Å; R178-E189 IonicContact NE-OE2 2.93Å; R178-E189 PolarHBondContact NE-OE2 3.39Å; R178-E189 IonicContact NH2-OE1 3.92Å; R178-E189 PolarHBondContact NH2-OE1 2.83Å; R178-I338 HydrophobicContact CG-CD1 3.79Å; R178-I338 VanDerWaalsContact CZ-CD1 3.42Å
179	Q	98.6	Very high	98.7	Very high	83 Å²	83	47.7 Å²	47.7	39%	0.388	23%	0.226	S	C	.	.	I	π-helix	trans	-62.6	-40.8	176.2	-70.9	173.1	-13.6	0	0	111.7	Q175 V176 W177 E184	Q175-Q179 WeakPolarHBondContact O-CG 3.2Å; Q175-Q179 PolarHBondContact O-N 2.84Å; V176-Q179 PolarHBondContact O-N 2.8Å; W177-Q179 PolarHBondContact O-N 2.86Å; Q179-E184 PolarHBondContact O-N 3.22Å
180	H	98.8	Very high	98.7	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.065	24%	0.235	C	C	.	.	I	π-helix	trans	-75.8	-35.2	-173.8	-166.8	96	0	0	0	113.5	V176 W177 R178 E184 R424 Y428	V176-H180 WeakPolarHBondContact O-CB 3.48Å; V176-H180 PolarHBondContact O-N 3.1Å; W177-H180 PolarHBondContact O-N 3.38Å; W177-H180 VanDerWaalsContact O-N 3.15Å; R178-H180 VanDerWaalsContact C-N 3.31Å; R178-H180 PolarHBondContact O-N 3Å; H180-E184 WeakPolarHBondContact O-CB 3.25Å; H180-R424 PolarHBondContact CD2-NH2 2.97Å; H180-R424 PolarHBondContact CE1-NH2 3.06Å; H180-R424 PolarHBondContact NE2-NE 3.22Å; H180-R424 PolarHBondContact NE2-NH2 3.4Å; H180-R424 PolarHBondContact NE2-O 3.42Å; H180-R424 PolarHBondContact O-NH2 3.23Å; H180-Y428 HydrophobicContact CB-CD2 4.27Å
181	F	98.8	Very high	98.7	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	26%	0.263	C	S	.	.	I	π-helix	trans	-111.5	-59.3	-177.2	-64.5	-78.7	0	0	0	111.4	W177 E185 I187 I363 R424 I425 Y428 F591	W177-F181 AromaticContact CD1-CD2 3.49Å; W177-F181 VanDerWaalsContact CD1-CD2 3.49Å; W177-F181 AromaticContact CD1-CE2 3.52Å; W177-F181 AromaticContact CD2-CD2 3.84Å; W177-F181 HydrophobicContact CD2-CD2 3.84Å; W177-F181 AromaticContact CE2-CD2 3.61Å; W177-F181 AromaticContact CG-CD2 3.79Å; W177-F181 HydrophobicContact CG-CD2 3.79Å; W177-F181 HydrophobicContact CG-CE2 4.23Å; W177-F181 HydrophobicContact CZ2-CB 4.48Å; W177-F181 HydrophobicContact CZ2-CD2 4.31Å; W177-F181 AromaticContact NE1-CD2 3.37Å; W177-F181 AromaticContact NE1-CE2 3.49Å; W177-F181 PolarHBondContact O-N 3.34Å; F181-E185 WeakPolarHBondContact O-CB 3.13Å; F181-E185 PolarHBondContact O-N 2.93Å; F181-I187 HydrophobicContact CB-CD1 4.04Å; F181-I187 WeakPolarHBondContact O-CD1 3.44Å; F181-I187 WeakPolarHBondContact O-CG1 3.42Å; F181-I363 HydrophobicContact CB-CD1 3.74Å; F181-I363 HydrophobicContact CD1-CD1 3.78Å; F181-I363 HydrophobicContact CG-CD1 3.82Å; F181-R424 HydrophobicContact CE1-CB 3.73Å; F181-R424 HydrophobicContact CZ-CB 4.41Å; F181-I425 HydrophobicContact CZ-CG1 4.42Å; F181-Y428 HydrophobicContact CE2-CD1 4.03Å; F181-Y428 HydrophobicContact CE2-CD2 4.05Å; F181-Y428 AromaticContact CE2-CG 3.64Å; F181-Y428 HydrophobicContact CE2-CG 3.64Å; F181-Y428 HydrophobicContact CZ-CD1 4.49Å; F181-Y428 HydrophobicContact CZ-CG 4.18Å; F181-F591 HydrophobicContact CD2-CZ 4.3Å; F181-F591 AromaticContact CE1-CZ 3.93Å; F181-F591 HydrophobicContact CE1-CZ 3.93Å; F181-F591 AromaticContact CE2-CE1 3.82Å; F181-F591 HydrophobicContact CE2-CE1 3.82Å; F181-F591 HydrophobicContact CE2-CE2 4.46Å; F181-F591 AromaticContact CE2-CZ 3.6Å; F181-F591 HydrophobicContact CE2-CZ 3.6Å; F181-F591 AromaticContact CZ-CE1 3.79Å; F181-F591 HydrophobicContact CZ-CE1 3.79Å; F181-F591 HydrophobicContact CZ-CE2 4.45Å; F181-F591 AromaticContact CZ-CZ 3.39Å; F181-F591 HydrophobicContact CZ-CZ 3.39Å
182	I	98.7	Very high	98.7	Very high	19 Å²	19	50.8 Å²	50.8	10%	0.097	25%	0.245	C	C	.	.	I	π-helix	trans	-62.4	-53.1	-174	-53	-175	0	0	0	111.4	W177 R178 Q186 I187 E189 A336 I338	W177-I182 HydrophobicContact CE3-CD1 4.3Å; W177-I182 HydrophobicContact CE3-CG1 4.17Å; W177-I182 HydrophobicContact CH2-CG1 4.49Å; W177-I182 HydrophobicContact CZ3-CD1 3.75Å; W177-I182 HydrophobicContact CZ3-CG1 3.64Å; R178-I182 HydrophobicContact CB-CD1 4.29Å; R178-I182 HydrophobicContact CG-CD1 3.78Å; R178-I182 CarbonylContact O-C 3.52Å; R178-I182 WeakPolarHBondContact O-CA 3.44Å; R178-I182 WeakPolarHBondContact O-CB 3.09Å; R178-I182 PolarHBondContact O-N 3.48Å; I182-Q186 CarbonylContact O-C 3.45Å; I182-Q186 WeakPolarHBondContact O-CA 3.46Å; I182-Q186 PolarHBondContact O-N 3.49Å; I182-I187 HydrophobicContact CB-CB 4.46Å; I182-I187 HydrophobicContact CG2-CB 4.31Å; I182-I187 WeakPolarHBondContact CG2-O 3.46Å; I182-I187 PolarHBondContact O-N 3.16Å; I182-E189 HydrophobicContact CD1-CB 3.94Å; I182-E189 VanDerWaalsContact CD1-CD 3.43Å; I182-E189 HydrophobicContact CD1-CG 3.8Å; I182-E189 WeakPolarHBondContact CD1-OE2 3.34Å; I182-E189 HydrophobicContact CG2-CB 4.34Å; I182-A336 HydrophobicContact CG1-CB 4.46Å; I182-I338 HydrophobicContact CD1-CD1 4.4Å
183	Q	98.6	Very high	98.7	Very high	125 Å²	125	54.2 Å²	54.2	58%	0.584	27%	0.267	S	S	*	.	I	π-helix	trans	-71.8	-42.2	-176.1	-173.3	175.8	-5.8	0	0	112.1	R178 Q186	R178-Q183 PolarHBondContact O-N 3.06Å; Q183-Q186 PolarHBondContact O-NE2 3.33Å
184	E	98.3	Very high	98.7	Very high	90 Å²	90	57.9 Å²	57.9	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-41.6	-179.5	-179.5	62.5	-140.7	0	0	112.5	Q179 H180 K376	Q179-E184 PolarHBondContact O-N 3.22Å; H180-E184 WeakPolarHBondContact O-CB 3.25Å; E184-K376 PolarHBondContact O-NZ 2.73Å; E184-K376 IonicContact OE1-NZ 3.73Å; E184-K376 PolarHBondContact OE1-NZ 3.1Å
185	E	98	Very high	98.6	Very high	38 Å²	38	61.4 Å²	61.4	18%	0.178	30%	0.304	C	S	.	.	H	α-helix	trans	-99.3	4.5	-177.8	-46.1	-50.4	151.9	0	0	113.8	F181 I187 K376 Y420	F181-E185 WeakPolarHBondContact O-CB 3.13Å; F181-E185 PolarHBondContact O-N 2.93Å; E185-I187 HydrophobicContact CB-CD1 4.12Å; E185-I187 HydrophobicContact CB-CG1 3.7Å; E185-I187 PolarHBondContact O-N 3.14Å; E185-K376 IonicContact OE1-NZ 2.78Å; E185-K376 WeakPolarHBondContact OE2-CD 3.11Å; E185-K376 WeakPolarHBondContact OE2-CE 3.29Å; E185-K376 IonicContact OE2-NZ 2.87Å; E185-K376 PolarHBondContact OE2-NZ 3.43Å; E185-Y420 VanDerWaalsContact CD-OH 3.24Å; E185-Y420 HydrophobicContact CG-CE1 4.48Å; E185-Y420 WeakPolarHBondContact OE1-CE1 3.3Å; E185-Y420 PolarHBondContact OE1-OH 3.42Å; E185-Y420 PolarHBondContact OE2-OH 3.1Å
186	Q	98.5	Very high	98.6	Very high	150 Å²	150	57.7 Å²	57.7	70%	0.701	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	43	-175.9	-60	-68.9	-62.5	0	0	112.1	I182 Q183	I182-Q186 CarbonylContact O-C 3.45Å; I182-Q186 WeakPolarHBondContact O-CA 3.46Å; I182-Q186 PolarHBondContact O-N 3.49Å; Q183-Q186 PolarHBondContact O-NE2 3.33Å
187	I	98.8	Very high	98.5	Very high	10 Å²	10	59.7 Å²	59.7	5%	0.051	30%	0.301	C	S	.	.			trans	-68.9	141.7	-177.5	-50.7	-175.2	0	0	0	109.8	F181 I182 E185 E189 A334 A336 I363	F181-I187 HydrophobicContact CB-CD1 4.04Å; F181-I187 WeakPolarHBondContact O-CD1 3.44Å; F181-I187 WeakPolarHBondContact O-CG1 3.42Å; I182-I187 HydrophobicContact CB-CB 4.46Å; I182-I187 HydrophobicContact CG2-CB 4.31Å; I182-I187 WeakPolarHBondContact CG2-O 3.46Å; I182-I187 PolarHBondContact O-N 3.16Å; E185-I187 HydrophobicContact CB-CD1 4.12Å; E185-I187 HydrophobicContact CB-CG1 3.7Å; E185-I187 PolarHBondContact O-N 3.14Å; I187-E189 PolarHBondContact O-N 3.44Å; I187-E189 VanDerWaalsContact O-N 3.15Å; I187-A334 HydrophobicContact CB-CB 4.39Å; I187-A334 HydrophobicContact CD1-CB 4.36Å; I187-A334 HydrophobicContact CG1-CB 4.06Å; I187-A334 HydrophobicContact CG2-CB 3.82Å; I187-A334 WeakPolarHBondContact CG2-O 3.2Å; I187-A336 HydrophobicContact CG2-CB 3.51Å; I187-I363 HydrophobicContact CD1-CD1 3.88Å; I187-I363 HydrophobicContact CD1-CG1 4.18Å; I187-I363 HydrophobicContact CD1-CG2 3.99Å
188	L	98.8	Very high	98.3	Very high	28 Å²	28	62.5 Å²	62.5	15%	0.147	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	94.9	177.1	-51.9	-176.5	0	0	0	110.2	L323 F326 F333 A334 A335 A336	L188-L323 HydrophobicContact CB-CD2 3.97Å; L188-L323 HydrophobicContact CD1-CB 4.36Å; L188-L323 HydrophobicContact CD1-CD2 4.05Å; L188-F326 HydrophobicContact CD1-CB 4.36Å; L188-F326 HydrophobicContact CD1-CD1 3.82Å; L188-F326 HydrophobicContact CD1-CG 4.46Å; L188-F326 HydrophobicContact CD2-CD1 3.46Å; L188-F326 VanDerWaalsContact CD2-CD1 3.46Å; L188-F326 HydrophobicContact CD2-CE1 3.48Å; L188-F326 VanDerWaalsContact CD2-CE1 3.48Å; L188-F326 HydrophobicContact CG-CD1 4.28Å; L188-F333 HydrophobicContact CD1-CD2 4.08Å; L188-A334 PolarHBondContact N-O 3.25Å; L188-A335 HydrophobicContact CB-CB 4.34Å; L188-A335 CarbonylContact O-C 3.56Å; L188-A335 VanDerWaalsContact O-CA 3.25Å; L188-A335 WeakPolarHBondContact O-CA 3.44Å; L188-A336 PolarHBondContact O-N 3.27Å
189	E	98.8	Very high	98	Very high	79 Å²	79	62.9 Å²	62.9	37%	0.369	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.4	174.3	-164.5	175.1	179	0	0	110.5	R178 I182 I187 A336	R178-E189 IonicContact CZ-OE1 3.74Å; R178-E189 IonicContact NE-OE1 3.86Å; R178-E189 PolarHBondContact NE-OE1 3.36Å; R178-E189 IonicContact NE-OE2 2.93Å; R178-E189 PolarHBondContact NE-OE2 3.39Å; R178-E189 IonicContact NH2-OE1 3.92Å; R178-E189 PolarHBondContact NH2-OE1 2.83Å; I182-E189 HydrophobicContact CD1-CB 3.94Å; I182-E189 VanDerWaalsContact CD1-CD 3.43Å; I182-E189 HydrophobicContact CD1-CG 3.8Å; I182-E189 WeakPolarHBondContact CD1-OE2 3.34Å; I182-E189 HydrophobicContact CG2-CB 4.34Å; I187-E189 PolarHBondContact O-N 3.44Å; I187-E189 VanDerWaalsContact O-N 3.15Å; E189-A336 WeakPolarHBondContact CA-O 3.3Å
190	I	98.7	Very high	97.7	Very high	39 Å²	39	60.1 Å²	60.1	20%	0.2	32%	0.315	C	S	.	.			trans	-126.8	161	171.6	64.7	171.6	0	0	0	110.9	I316 N319 L323 A336 Q337	I190-I316 HydrophobicContact CD1-CB 4.35Å; I190-I316 HydrophobicContact CD1-CG1 3.8Å; I190-I316 HydrophobicContact CG1-CG1 4.12Å; I190-N319 HydrophobicContact CD1-CB 4.37Å; I190-L323 HydrophobicContact CD1-CD1 4.38Å; I190-L323 HydrophobicContact CG2-CD2 3.77Å; I190-A336 PolarHBondContact N-O 3.01Å; I190-Q337 WeakPolarHBondContact O-CG 3.42Å
191	D	98.7	Very high	97.3	Very high	140 Å²	140	59.5 Å²	59.5	75%	0.749	31%	0.312	S	S	*	.			trans	-127.1	104.4	176	-174.6	24.2	0	0	0	110.4
192	C	98.6	Very high	96.6	Very high	23 Å²	23	65.1 Å²	65.1	16%	0.155	34%	0.337	C	S	.	.			trans	-97.2	160.2	179	-58.3	0	0	0	0	111.7	R309 G315 Q337	C192-R309 PolarHBondContact O-NH1 2.95Å; C192-G315 VanDerWaalsContact SG-CA 3.55Å; C192-Q337 PolarHBondContact SG-OE1 2.95Å
193	T	98.7	Very high	95.7	Very high	108 Å²	108	66 Å²	66	66%	0.663	34%	0.343	S	S	*	.			trans	-64	153.6	176.7	57.5	0	0	0	0	112.6	L195 R309	T193-L195 PolarHBondContact OG1-O 3.27Å; T193-L195 VanDerWaalsContact OG1-O 3.14Å; T193-R309 PolarHBondContact O-NH1 3.26Å
194	M	98.7	Very high	94.9	Very high	76 Å²	76	60.5 Å²	60.5	37%	0.374	32%	0.318	S	S	.	.	S	Bend	trans	-81.2	-38.1	171.7	-61.9	171.5	-168.9	0	0	111.9	T196 R309 N340 F342	M194-T196 PolarHBondContact O-N 3.25Å; M194-T196 PolarHBondContact O-OG1 3.12Å; M194-R309 PolarHBondContact O-N 2.97Å; M194-N340 HydrophobicContact CE-CB 3.96Å; M194-N340 HydrophobicContact SD-CB 4.45Å; M194-F342 HydrophobicContact CB-CE2 4.05Å; M194-F342 HydrophobicContact CG-CE2 4.03Å; M194-F342 HydrophobicContact SD-CE2 3.66Å; M194-F342 HydrophobicContact SD-CZ 3.72Å
195	L	98.3	Very high	93.9	Very high	89 Å²	89	56.6 Å²	56.6	47%	0.466	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	126.5	174.7	-72.6	170.9	0	0	0	109.7	T193 T296 L308	T193-L195 PolarHBondContact OG1-O 3.27Å; T193-L195 VanDerWaalsContact OG1-O 3.14Å; L195-T296 HydrophobicContact CD2-CG2 3.64Å; L195-L308 HydrophobicContact CD2-CD2 3.93Å
196	T	97.9	Very high	93.3	Very high	15 Å²	15	55.4 Å²	55.4	9%	0.092	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123	-174.8	-52.9	0	0	0	0	109.8	M194 V200 L201 G306 Y307	M194-T196 PolarHBondContact O-N 3.25Å; M194-T196 PolarHBondContact O-OG1 3.12Å; T196-V200 HydrophobicContact CG2-CB 3.82Å; T196-V200 HydrophobicContact CG2-CG1 3.83Å; T196-V200 HydrophobicContact CG2-CG2 4.45Å; T196-L201 HydrophobicContact CG2-CD1 4.02Å; T196-L201 HydrophobicContact CG2-CD2 4.13Å; T196-L201 HydrophobicContact CG2-CG 3.72Å; T196-G306 CarbonylContact O-C 3.47Å; T196-G306 VanDerWaalsContact O-CA 3.24Å; T196-G306 WeakPolarHBondContact O-CA 3.13Å; T196-Y307 PolarHBondContact N-O 3.5Å; T196-Y307 PolarHBondContact O-N 3.16Å
197	P	96.9	Very high	92.3	Very high	49 Å²	49	49.7 Å²	49.7	32%	0.318	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	142.4	175.3	-23.1	34	0	0	0	112.2	P199 V200 I298	P197-P199 VanDerWaalsContact C-N 3.34Å; P197-V200 WeakPolarHBondContact O-CB 2.88Å; P197-V200 PolarHBondContact O-N 3.46Å; P197-V200 VanDerWaalsContact O-N 3.11Å; P197-I298 HydrophobicContact CB-CD1 4.45Å; P197-I298 HydrophobicContact CG-CD1 4.1Å
198	E	94.5	Very high	90.9	Very high	59 Å²	59	56 Å²	56	28%	0.276	30%	0.301	S	S	.	.	H	α-helix	trans	-48.5	-43.4	179.5	174	176	-140.3	0	0	114.6	V200 L201 K202 V207 P305 Y307	E198-V200 PolarHBondContact O-N 3.35Å; E198-V200 VanDerWaalsContact O-N 3.11Å; E198-L201 PolarHBondContact O-N 2.8Å; E198-L201 VanDerWaalsContact O-N 3.12Å; E198-K202 WeakPolarHBondContact O-CB 3.47Å; E198-K202 PolarHBondContact O-N 3Å; E198-V207 HydrophobicContact CG-CG2 4.46Å; E198-P305 HydrophobicContact CB-CB 4.29Å; E198-P305 HydrophobicContact CB-CG 4.08Å; E198-P305 PolarHBondContact N-O 3.38Å; E198-P305 VanDerWaalsContact N-O 3.08Å; E198-P305 WeakPolarHBondContact OE2-CG 3.41Å; E198-Y307 HydrophobicContact CB-CD2 4.34Å; E198-Y307 HydrophobicContact CB-CE2 3.77Å; E198-Y307 HydrophobicContact CG-CE2 3.88Å
199	P	91.4	Very high	89.6	Confident	85 Å²	85	60.6 Å²	60.6	55%	0.552	32%	0.32	S	S	*	.	H	α-helix	trans	-57.1	-31.2	-178.4	-28	36.4	0	0	0	114.4	P197 T203	P197-P199 VanDerWaalsContact C-N 3.34Å; P199-T203 WeakPolarHBondContact O-CB 3.49Å; P199-T203 PolarHBondContact O-N 2.92Å; P199-T203 PolarHBondContact O-OG1 2.96Å
200	V	93.1	Very high	88.1	Confident	25 Å²	25	59.1 Å²	59.1	15%	0.152	31%	0.312	C	S	.	.	H	α-helix	trans	-66.7	-50.1	178	175.6	0	0	0	0	110.2	T196 P197 E198 K202 T203 S204 L318	T196-V200 HydrophobicContact CG2-CB 3.82Å; T196-V200 HydrophobicContact CG2-CG1 3.83Å; T196-V200 HydrophobicContact CG2-CG2 4.45Å; P197-V200 WeakPolarHBondContact O-CB 2.88Å; P197-V200 PolarHBondContact O-N 3.46Å; P197-V200 VanDerWaalsContact O-N 3.11Å; E198-V200 PolarHBondContact O-N 3.35Å; E198-V200 VanDerWaalsContact O-N 3.11Å; V200-K202 VanDerWaalsContact C-N 3.33Å; V200-T203 WeakPolarHBondContact O-CB 3.47Å; V200-T203 PolarHBondContact O-N 3.27Å; V200-S204 PolarHBondContact O-N 3.23Å; V200-S204 PolarHBondContact O-OG 2.9Å; V200-L318 HydrophobicContact CG1-CD1 3.86Å; V200-L318 HydrophobicContact CG2-CD1 4.24Å
201	L	89.9	Confident	86.8	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-76.4	-23.9	-177.3	-64.9	175.8	0	0	0	112.7	T196 E198 S204 G205 H206 V207 M293 Y307 P310	T196-L201 HydrophobicContact CG2-CD1 4.02Å; T196-L201 HydrophobicContact CG2-CD2 4.13Å; T196-L201 HydrophobicContact CG2-CG 3.72Å; E198-L201 PolarHBondContact O-N 2.8Å; E198-L201 VanDerWaalsContact O-N 3.12Å; L201-S204 WeakPolarHBondContact CA-OG 3.41Å; L201-S204 PolarHBondContact O-OG 2.8Å; L201-G205 PolarHBondContact O-N 3.21Å; L201-H206 HydrophobicContact CB-CB 4.25Å; L201-H206 HydrophobicContact CD2-CB 4.42Å; L201-H206 PolarHBondContact O-N 3.47Å; L201-V207 HydrophobicContact CB-CG2 3.97Å; L201-V207 PolarHBondContact O-N 3.28Å; L201-M293 HydrophobicContact CB-SD 4.44Å; L201-M293 HydrophobicContact CD1-SD 3.8Å; L201-Y307 HydrophobicContact CD1-CD2 3.88Å; L201-Y307 HydrophobicContact CD1-CG 3.97Å; L201-P310 HydrophobicContact CD2-CG 4.39Å
202	K	83.7	Confident	85.9	Confident	119 Å²	119	53.5 Å²	53.5	52%	0.517	29%	0.288	S	S	.	.	H	α-helix	trans	-66.9	-45.3	167.3	-171.6	172.4	-178.6	173.9	0	110.7	E198 V200 S204 G205 V207	E198-K202 WeakPolarHBondContact O-CB 3.47Å; E198-K202 PolarHBondContact O-N 3Å; V200-K202 VanDerWaalsContact C-N 3.33Å; K202-S204 PolarHBondContact O-N 3.32Å; K202-G205 PolarHBondContact O-N 3.28Å; K202-V207 HydrophobicContact CB-CB 4.35Å; K202-V207 HydrophobicContact CB-CG2 4.13Å
203	T	80.2	Confident	85.3	Confident	39 Å²	39	56 Å²	56	24%	0.239	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-39	179.2	-60.8	0	0	0	0	112.8	P199 V200 G205 C483 H484 A487	P199-T203 WeakPolarHBondContact O-CB 3.49Å; P199-T203 PolarHBondContact O-N 2.92Å; P199-T203 PolarHBondContact O-OG1 2.96Å; V200-T203 WeakPolarHBondContact O-CB 3.47Å; V200-T203 PolarHBondContact O-N 3.27Å; T203-G205 PolarHBondContact O-N 3.38Å; T203-C483 HydrophobicContact CG2-CB 4.21Å; T203-C483 WeakPolarHBondContact CG2-O 3.49Å; T203-H484 WeakPolarHBondContact CG2-ND1 3.48Å; T203-A487 HydrophobicContact CG2-CB 3.47Å; T203-A487 VanDerWaalsContact CG2-CB 3.47Å
204	S	82.5	Confident	84.8	Confident	8 Å²	8	51 Å²	51	6%	0.056	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.3	175.3	60.3	0	0	0	0	113.4	V200 L201 K202 H206	V200-S204 PolarHBondContact O-N 3.23Å; V200-S204 PolarHBondContact O-OG 2.9Å; L201-S204 WeakPolarHBondContact CA-OG 3.41Å; L201-S204 PolarHBondContact O-OG 2.8Å; K202-S204 PolarHBondContact O-N 3.32Å; S204-H206 PolarHBondContact OG-ND1 3.26Å
205	G	77.9	Confident	84.4	Confident	8 Å²	8	47.4 Å²	47.4	8%	0.082	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	2.7	179.1	0	0	0	0	0	114.5	L201 K202 T203 E208 K209	L201-G205 PolarHBondContact O-N 3.21Å; K202-G205 PolarHBondContact O-N 3.28Å; T203-G205 PolarHBondContact O-N 3.38Å; G205-E208 PolarHBondContact O-N 3.02Å; G205-K209 WeakPolarHBondContact O-CB 3.35Å; G205-K209 WeakPolarHBondContact O-CG 3.48Å; G205-K209 PolarHBondContact O-N 2.97Å
206	H	83.8	Confident	84	Confident	13 Å²	13	46.9 Å²	46.9	6%	0.06	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-43.2	178.6	-73.9	80.9	0	0	0	111.6	L201 S204 E208 K209 F210 M293 P310 E311	L201-H206 HydrophobicContact CB-CB 4.25Å; L201-H206 HydrophobicContact CD2-CB 4.42Å; L201-H206 PolarHBondContact O-N 3.47Å; S204-H206 PolarHBondContact OG-ND1 3.26Å; H206-E208 PolarHBondContact O-N 2.83Å; H206-E208 VanDerWaalsContact O-N 3.14Å; H206-K209 PolarHBondContact O-N 3.1Å; H206-F210 HydrophobicContact CB-CD2 4.43Å; H206-F210 AromaticContact CD2-CD2 3.54Å; H206-F210 AromaticContact CD2-CE2 3.38Å; H206-F210 WeakPolarHBondContact CD2-CE2 3.3Å; H206-F210 AromaticContact CD2-CZ 3.94Å; H206-F210 AromaticContact NE2-CE2 3.86Å; H206-F210 VanDerWaalsContact O-CB 3.25Å; H206-F210 WeakPolarHBondContact O-CB 3.49Å; H206-F210 PolarHBondContact O-N 2.94Å; H206-M293 HydrophobicContact CB-CE 4.17Å; H206-M293 HydrophobicContact CB-SD 3.79Å; H206-P310 VanDerWaalsContact CD2-CG 3.48Å; H206-P310 WeakPolarHBondContact CD2-CG 3.43Å; H206-E311 IonicContact CE1-OE1 3.99Å; H206-E311 PolarHBondContact CE1-OE1 3.27Å; H206-E311 IonicContact NE2-OE1 3.55Å; H206-E311 IonicContact NE2-OE2 3.97Å
207	V	78	Confident	83.6	Confident	31 Å²	31	46.3 Å²	46.3	19%	0.188	24%	0.237	C	C	.	.	H	α-helix	trans	-57.8	-34.4	-179.2	175.6	0	0	0	0	112.4	E198 L201 K202 M293 Y307	E198-V207 HydrophobicContact CG-CG2 4.46Å; L201-V207 HydrophobicContact CB-CG2 3.97Å; L201-V207 PolarHBondContact O-N 3.28Å; K202-V207 HydrophobicContact CB-CB 4.35Å; K202-V207 HydrophobicContact CB-CG2 4.13Å; V207-M293 HydrophobicContact CB-CE 4.32Å; V207-M293 HydrophobicContact CG2-CE 3.82Å; V207-Y307 HydrophobicContact CG2-CE2 4.16Å
208	E	70.7	Confident	83.3	Confident	141 Å²	141	48.4 Å²	48.4	66%	0.659	25%	0.249	S	C	*	.	H	α-helix	trans	-88.2	-29.8	-177.3	-64.5	176.4	-175.5	0	0	113	G205 H206	G205-E208 PolarHBondContact O-N 3.02Å; H206-E208 PolarHBondContact O-N 2.83Å; H206-E208 VanDerWaalsContact O-N 3.14Å
209	K	69.8	Low	82.9	Confident	125 Å²	125	53.5 Å²	53.5	54%	0.543	27%	0.27	S	S	.	.	H	α-helix	trans	-107.5	-18.6	-171.6	-60.2	-171.4	-176.8	-160.5	0	115	G205 H206 A211 H451	G205-K209 WeakPolarHBondContact O-CB 3.35Å; G205-K209 WeakPolarHBondContact O-CG 3.48Å; G205-K209 PolarHBondContact O-N 2.97Å; H206-K209 PolarHBondContact O-N 3.1Å; K209-A211 PolarHBondContact O-N 3.24Å; K209-A211 VanDerWaalsContact O-N 3.09Å; K209-H451 PolarHBondContact NZ-CE1 2.93Å; K209-H451 PolarHBondContact NZ-ND1 2.97Å
210	F	68	Low	82.5	Confident	48 Å²	48	53.5 Å²	53.5	21%	0.211	27%	0.265	C	S	.	.			trans	-85.9	54.5	179.1	-102.1	-116.9	0	0	0	112	H206 N291 L292 M293 P310	H206-F210 HydrophobicContact CB-CD2 4.43Å; H206-F210 AromaticContact CD2-CD2 3.54Å; H206-F210 AromaticContact CD2-CE2 3.38Å; H206-F210 WeakPolarHBondContact CD2-CE2 3.3Å; H206-F210 AromaticContact CD2-CZ 3.94Å; H206-F210 AromaticContact NE2-CE2 3.86Å; H206-F210 VanDerWaalsContact O-CB 3.25Å; H206-F210 WeakPolarHBondContact O-CB 3.49Å; H206-F210 PolarHBondContact O-N 2.94Å; F210-N291 WeakPolarHBondContact O-CA 3.3Å; F210-N291 PolarHBondContact O-OD1 3.26Å; F210-L292 HydrophobicContact CD1-CB 3.99Å; F210-L292 PolarHBondContact O-N 3.17Å; F210-M293 HydrophobicContact CB-CG 4.27Å; F210-M293 HydrophobicContact CD1-CG 4.25Å; F210-P310 HydrophobicContact CD1-CB 4.4Å; F210-P310 HydrophobicContact CE1-CB 3.9Å; F210-P310 HydrophobicContact CZ-CB 4.3Å
211	A	71.3	Confident	81.9	Confident	39 Å²	39	54.3 Å²	54.3	32%	0.322	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.9	174.9	0	0	0	0	0	111.7	K209 S289 F290	K209-A211 PolarHBondContact O-N 3.24Å; K209-A211 VanDerWaalsContact O-N 3.09Å; A211-S289 WeakPolarHBondContact CB-OG 3.08Å; A211-F290 VanDerWaalsContact CA-O 3.27Å; A211-F290 WeakPolarHBondContact CA-O 3.34Å
212	D	80.8	Confident	81.6	Confident	23 Å²	23	57.2 Å²	57.2	12%	0.123	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	156.2	173.3	-81.9	-22.7	0	0	0	109.9	R225 F290 L292 I346	D212-R225 HydrophobicContact CB-CG 4.41Å; D212-R225 IonicContact OD1-CZ 3.95Å; D212-R225 IonicContact OD1-NE 2.8Å; D212-R225 IonicContact OD1-NH2 2.92Å; D212-R225 PolarHBondContact OD1-NH2 3.41Å; D212-R225 IonicContact OD2-CZ 2.91Å; D212-R225 VanDerWaalsContact OD2-CZ 3.29Å; D212-R225 IonicContact OD2-NE 3.41Å; D212-R225 PolarHBondContact OD2-NE 3.31Å; D212-R225 IonicContact OD2-NH2 2.79Å; D212-R225 PolarHBondContact OD2-NH2 2.99Å; D212-R225 VanDerWaalsContact OD2-NH2 3.13Å; D212-F290 PolarHBondContact N-O 3.46Å; D212-F290 PolarHBondContact O-N 2.99Å; D212-L292 HydrophobicContact CB-CD2 4.21Å; D212-L292 HydrophobicContact CB-CG 4.44Å; D212-L292 WeakPolarHBondContact OD2-CD1 3.37Å; D212-I346 HydrophobicContact CB-CD1 3.4Å
213	Y	85.3	Confident	81.7	Confident	74 Å²	74	53.3 Å²	53.3	29%	0.29	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	130.3	169.5	-63.1	-59.6	0	0	0	111.2	A226 Q263 L266 I288	Y213-A226 WeakPolarHBondContact O-CB 3.49Å; Y213-A226 PolarHBondContact O-N 3.25Å; Y213-Q263 HydrophobicContact CD1-CB 4.19Å; Y213-Q263 HydrophobicContact CD1-CG 4.13Å; Y213-Q263 HydrophobicContact CE1-CB 3.54Å; Y213-Q263 HydrophobicContact CE1-CG 3.88Å; Y213-Q263 PolarHBondContact OH-N 3.15Å; Y213-L266 HydrophobicContact CD2-CD1 3.37Å; Y213-L266 HydrophobicContact CE2-CD1 4.12Å; Y213-L266 HydrophobicContact CG-CD1 3.9Å; Y213-I288 CarbonylContact C-O 3.58Å; Y213-I288 WeakPolarHBondContact CA-O 3.41Å
214	M	89	Confident	81.9	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.02	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.6	-179	178.6	-178.1	61.4	0	0	110.9	K216 C223 F224 P287 I288 F290 I346	M214-K216 HydrophobicContact CE-CG 4.49Å; M214-C223 HydrophobicContact CG-CB 4.17Å; M214-C223 HydrophobicContact SD-CB 3.63Å; M214-F224 WeakPolarHBondContact CA-O 3.44Å; M214-P287 WeakPolarHBondContact O-CA 3.41Å; M214-I288 HydrophobicContact CE-CD1 3.97Å; M214-I288 HydrophobicContact CE-CG1 4.24Å; M214-I288 PolarHBondContact N-O 3.41Å; M214-I288 WeakPolarHBondContact O-CG1 3.48Å; M214-I288 PolarHBondContact O-N 3Å; M214-F290 HydrophobicContact CB-CB 3.96Å; M214-F290 HydrophobicContact CE-CB 4.12Å; M214-F290 HydrophobicContact CE-CD2 3.48Å; M214-F290 VanDerWaalsContact CE-CD2 3.48Å; M214-F290 HydrophobicContact CE-CE2 4.08Å; M214-F290 HydrophobicContact CE-CG 3.93Å; M214-F290 HydrophobicContact SD-CD2 4.09Å; M214-F290 HydrophobicContact SD-CE2 4.43Å; M214-F290 HydrophobicContact SD-CG 4.16Å; M214-I346 HydrophobicContact CB-CD1 3.98Å; M214-I346 HydrophobicContact CB-CG1 4.44Å; M214-I346 HydrophobicContact CB-CG2 4.35Å; M214-I346 HydrophobicContact CG-CG2 3.8Å; M214-I346 HydrophobicContact SD-CG1 4.49Å; M214-I346 HydrophobicContact SD-CG2 4.07Å
215	V	90.3	Very high	82.1	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	153.8	168.9	-66.1	0	0	0	0	110.1	C223 F224 A226 L229 F270 L284 T285 P287	V215-C223 WeakPolarHBondContact O-CA 3.23Å; V215-F224 HydrophobicContact CG2-CB 3.98Å; V215-F224 HydrophobicContact CG2-CD2 4.46Å; V215-F224 PolarHBondContact N-O 3.29Å; V215-F224 PolarHBondContact O-N 2.83Å; V215-A226 HydrophobicContact CG1-CB 4.06Å; V215-L229 HydrophobicContact CG2-CD2 3.82Å; V215-F270 HydrophobicContact CB-CE1 4.34Å; V215-F270 HydrophobicContact CG1-CD1 4.25Å; V215-F270 HydrophobicContact CG1-CE1 3.78Å; V215-F270 HydrophobicContact CG1-CZ 4.03Å; V215-F270 HydrophobicContact CG2-CE1 3.91Å; V215-F270 HydrophobicContact CG2-CZ 4.19Å; V215-L284 HydrophobicContact CB-CB 4.37Å; V215-L284 HydrophobicContact CG2-CD1 4.17Å; V215-L284 HydrophobicContact CG2-CD2 4.41Å; V215-T285 WeakPolarHBondContact CG1-O 3.5Å; V215-P287 HydrophobicContact CG1-CB 4.15Å; V215-P287 HydrophobicContact CG1-CG 3.78Å
216	K	90	Very high	82.5	Confident	79 Å²	79	53.4 Å²	53.4	34%	0.343	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141	179.3	-55.2	-170.6	-178.4	-179.9	0	111.4	M214 V218 E222 L284 T285	M214-K216 HydrophobicContact CE-CG 4.49Å; K216-V218 PolarHBondContact O-N 3.38Å; K216-E222 CarbonylContact C-O 3.54Å; K216-E222 VanDerWaalsContact CA-O 3.3Å; K216-E222 WeakPolarHBondContact CA-O 3.45Å; K216-L284 CarbonylContact O-C 3.55Å; K216-L284 VanDerWaalsContact O-CA 3.25Å; K216-L284 WeakPolarHBondContact O-CA 3.2Å; K216-T285 HydrophobicContact CB-CG2 4.08Å; K216-T285 PolarHBondContact N-OG1 3.15Å; K216-T285 PolarHBondContact O-N 3.46Å
217	D	88.7	Confident	82.4	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.011	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-65.3	125.3	166.6	176.3	-34.6	0	0	0	109.6	K219 N220 G221 E222 F224 S277 T280 N282 L284	D217-K219 PolarHBondContact O-N 2.48Å; D217-K219 PolarHBondContact OD1-N 2.68Å; D217-N220 WeakPolarHBondContact CB-OD1 3.42Å; D217-N220 PolarHBondContact OD1-N 3.29Å; D217-N220 PolarHBondContact OD2-OD1 3.41Å; D217-G221 VanDerWaalsContact O-CA 3.3Å; D217-G221 WeakPolarHBondContact O-CA 3.44Å; D217-G221 PolarHBondContact O-N 3.27Å; D217-E222 HydrophobicContact CB-CB 4.36Å; D217-E222 PolarHBondContact N-O 3.23Å; D217-F224 HydrophobicContact CB-CE2 4.42Å; D217-S277 WeakPolarHBondContact OD2-CB 3.37Å; D217-S277 PolarHBondContact OD2-OG 2.89Å; D217-T280 PolarHBondContact OD2-OG1 2.92Å; D217-N282 WeakPolarHBondContact OD1-CB 3.37Å; D217-N282 PolarHBondContact OD1-ND2 3.45Å; D217-N282 WeakPolarHBondContact OD2-CB 3.14Å; D217-N282 PolarHBondContact OD2-ND2 2.86Å; D217-L284 HydrophobicContact CB-CD2 4.34Å
218	V	89.9	Confident	82.6	Confident	94 Å²	94	56.3 Å²	56.3	57%	0.57	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.3	-172.5	177.8	0	0	0	0	112.5	K216 E283 T285	K216-V218 PolarHBondContact O-N 3.38Å; V218-E283 HydrophobicContact CG2-CB 4.39Å; V218-E283 WeakPolarHBondContact CG2-O 3.49Å; V218-E283 PolarHBondContact N-O 3.01Å; V218-E283 VanDerWaalsContact N-O 3.07Å; V218-T285 HydrophobicContact CG2-CG2 4.13Å
219	K	86.9	Confident	83.4	Confident	165 Å²	165	50.4 Å²	50.4	72%	0.717	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-48.2	-178.3	-63.3	-168.6	-171.7	155.3	0	113.7	D217 N282	D217-K219 PolarHBondContact O-N 2.48Å; D217-K219 PolarHBondContact OD1-N 2.68Å; K219-N282 WeakPolarHBondContact CD-OD1 3.29Å; K219-N282 WeakPolarHBondContact CE-OD1 3.16Å; K219-N282 PolarHBondContact NZ-OD1 2.82Å
220	N	82.5	Confident	84.3	Confident	86 Å²	86	44.4 Å²	44.4	46%	0.46	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-8.9	-173.1	73.4	2.9	0	0	0	113.5	D217 E222	D217-N220 WeakPolarHBondContact CB-OD1 3.42Å; D217-N220 PolarHBondContact OD1-N 3.29Å; D217-N220 PolarHBondContact OD2-OD1 3.41Å; N220-E222 VanDerWaalsContact C-N 3.26Å; N220-E222 PolarHBondContact O-N 2.81Å; N220-E222 VanDerWaalsContact OD1-CB 3.25Å; N220-E222 WeakPolarHBondContact OD1-CB 3.42Å; N220-E222 PolarHBondContact OD1-N 2.94Å
221	G	81.9	Confident	85.1	Confident	41 Å²	41	44.5 Å²	44.5	42%	0.423	23%	0.231	S	C	.	.			trans	74.5	8.3	179.9	0	0	0	0	0	115.2	D217 C223	D217-G221 VanDerWaalsContact O-CA 3.3Å; D217-G221 WeakPolarHBondContact O-CA 3.44Å; D217-G221 PolarHBondContact O-N 3.27Å; G221-C223 PolarHBondContact O-N 3.22Å; G221-C223 PolarHBondContact O-SG 3.43Å; G221-C223 VanDerWaalsContact O-SG 3.35Å
222	E	82	Confident	85.8	Confident	62 Å²	62	45.1 Å²	45.1	29%	0.29	24%	0.236	S	C	.	.			trans	-59.5	129.9	177.4	-168.7	-177.9	176.9	0	0	110	K216 D217 N220 F224 T279 R349	K216-E222 CarbonylContact C-O 3.54Å; K216-E222 VanDerWaalsContact CA-O 3.3Å; K216-E222 WeakPolarHBondContact CA-O 3.45Å; D217-E222 HydrophobicContact CB-CB 4.36Å; D217-E222 PolarHBondContact N-O 3.23Å; N220-E222 VanDerWaalsContact C-N 3.26Å; N220-E222 PolarHBondContact O-N 2.81Å; N220-E222 VanDerWaalsContact OD1-CB 3.25Å; N220-E222 WeakPolarHBondContact OD1-CB 3.42Å; N220-E222 PolarHBondContact OD1-N 2.94Å; E222-F224 HydrophobicContact CB-CE2 4.15Å; E222-F224 HydrophobicContact CB-CZ 4.01Å; E222-F224 HydrophobicContact CG-CE1 3.99Å; E222-F224 HydrophobicContact CG-CE2 4.1Å; E222-F224 HydrophobicContact CG-CZ 3.57Å; E222-F224 WeakPolarHBondContact OE1-CE1 3.23Å; E222-F224 WeakPolarHBondContact OE2-CZ 3.45Å; E222-T279 PolarHBondContact OE2-OG1 2.92Å; E222-R349 IonicContact OE1-NH2 2.73Å
223	C	85.6	Confident	86.1	Confident	37 Å²	37	46.2 Å²	46.2	25%	0.25	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.1	-174	-63.3	0	0	0	0	111.2	M214 V215 G221 I346	M214-C223 HydrophobicContact CG-CB 4.17Å; M214-C223 HydrophobicContact SD-CB 3.63Å; V215-C223 WeakPolarHBondContact O-CA 3.23Å; G221-C223 PolarHBondContact O-N 3.22Å; G221-C223 PolarHBondContact O-SG 3.43Å; G221-C223 VanDerWaalsContact O-SG 3.35Å; C223-I346 HydrophobicContact CB-CG2 4.41Å
224	F	85.6	Confident	86.2	Confident	5 Å²	5	42.7 Å²	42.7	2%	0.022	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.9	176.6	-49.1	-84.3	0	0	0	110.5	M214 V215 D217 E222 A226 L229 P278 L284 R349	M214-F224 WeakPolarHBondContact CA-O 3.44Å; V215-F224 HydrophobicContact CG2-CB 3.98Å; V215-F224 HydrophobicContact CG2-CD2 4.46Å; V215-F224 PolarHBondContact N-O 3.29Å; V215-F224 PolarHBondContact O-N 2.83Å; D217-F224 HydrophobicContact CB-CE2 4.42Å; E222-F224 HydrophobicContact CB-CE2 4.15Å; E222-F224 HydrophobicContact CB-CZ 4.01Å; E222-F224 HydrophobicContact CG-CE1 3.99Å; E222-F224 HydrophobicContact CG-CE2 4.1Å; E222-F224 HydrophobicContact CG-CZ 3.57Å; E222-F224 WeakPolarHBondContact OE1-CE1 3.23Å; E222-F224 WeakPolarHBondContact OE2-CZ 3.45Å; F224-A226 PolarHBondContact O-N 3.43Å; F224-L229 HydrophobicContact CB-CB 4.21Å; F224-L229 HydrophobicContact CB-CD2 3.86Å; F224-L229 HydrophobicContact CB-CG 4.47Å; F224-L229 HydrophobicContact CD2-CD2 4.13Å; F224-L229 HydrophobicContact CG-CD2 4.02Å; F224-P278 HydrophobicContact CD1-CG 4.32Å; F224-P278 HydrophobicContact CE1-CG 3.76Å; F224-P278 HydrophobicContact CZ-CG 4.1Å; F224-L284 HydrophobicContact CD2-CD2 4.01Å; F224-L284 HydrophobicContact CE2-CD2 4.05Å; F224-R349 VanDerWaalsContact CE1-NH2 3.29Å
225	R	85.7	Confident	86	Confident	52 Å²	52	47.1 Å²	47.1	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	123.3	170.1	-153.3	-166.7	-174.6	-147.2	-6.4	107.6	D212 D227 H228 L229 I346	D212-R225 HydrophobicContact CB-CG 4.41Å; D212-R225 IonicContact OD1-CZ 3.95Å; D212-R225 IonicContact OD1-NE 2.8Å; D212-R225 IonicContact OD1-NH2 2.92Å; D212-R225 PolarHBondContact OD1-NH2 3.41Å; D212-R225 IonicContact OD2-CZ 2.91Å; D212-R225 VanDerWaalsContact OD2-CZ 3.29Å; D212-R225 IonicContact OD2-NE 3.41Å; D212-R225 PolarHBondContact OD2-NE 3.31Å; D212-R225 IonicContact OD2-NH2 2.79Å; D212-R225 PolarHBondContact OD2-NH2 2.99Å; D212-R225 VanDerWaalsContact OD2-NH2 3.13Å; R225-D227 WeakPolarHBondContact CD-OD1 3.5Å; R225-D227 WeakPolarHBondContact CG-OD1 3.4Å; R225-D227 IonicContact CZ-OD1 3.74Å; R225-D227 IonicContact CZ-OD2 3.78Å; R225-D227 IonicContact NE-OD1 2.81Å; R225-D227 IonicContact NE-OD2 3.55Å; R225-D227 IonicContact NH1-OD1 3.96Å; R225-D227 IonicContact NH1-OD2 2.68Å; R225-D227 PolarHBondContact NH1-OD2 3.45Å; R225-D227 IonicContact NH2-OD2 3.7Å; R225-D227 PolarHBondContact O-N 3.31Å; R225-H228 HydrophobicContact CB-CB 4.2Å; R225-H228 PolarHBondContact NH1-CD2 3.12Å; R225-H228 PolarHBondContact NH1-NE2 3Å; R225-H228 PolarHBondContact O-N 2.95Å; R225-L229 WeakPolarHBondContact O-CB 3.34Å; R225-L229 PolarHBondContact O-N 2.86Å; R225-I346 HydrophobicContact CB-CB 4.29Å; R225-I346 HydrophobicContact CB-CD1 4.31Å; R225-I346 HydrophobicContact CB-CG2 4.21Å; R225-I346 HydrophobicContact CG-CD1 3.79Å; R225-I346 VanDerWaalsContact N-CG2 3.33Å
226	A	86.4	Confident	85.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-45.3	-166.3	0	0	0	0	0	111.9	Y213 V215 F224 L229 L230 F270 P287	Y213-A226 WeakPolarHBondContact O-CB 3.49Å; Y213-A226 PolarHBondContact O-N 3.25Å; V215-A226 HydrophobicContact CG1-CB 4.06Å; F224-A226 PolarHBondContact O-N 3.43Å; A226-L229 PolarHBondContact O-N 2.87Å; A226-L230 WeakPolarHBondContact O-CB 3.28Å; A226-L230 PolarHBondContact O-N 3.38Å; A226-F270 HydrophobicContact CB-CE2 4.03Å; A226-F270 HydrophobicContact CB-CZ 4Å; A226-F270 WeakPolarHBondContact O-CE2 3.4Å; A226-F270 VanDerWaalsContact O-CZ 3.27Å; A226-F270 WeakPolarHBondContact O-CZ 3.35Å; A226-P287 HydrophobicContact CB-CB 4.26Å; A226-P287 HydrophobicContact CB-CG 4.41Å
227	D	81.8	Confident	85.5	Confident	20 Å²	20	53.9 Å²	53.9	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-48.3	177.5	64.5	-28.9	0	0	0	112.4	R225 L229 K231 L258	R225-D227 WeakPolarHBondContact CD-OD1 3.5Å; R225-D227 WeakPolarHBondContact CG-OD1 3.4Å; R225-D227 IonicContact CZ-OD1 3.74Å; R225-D227 IonicContact CZ-OD2 3.78Å; R225-D227 IonicContact NE-OD1 2.81Å; R225-D227 IonicContact NE-OD2 3.55Å; R225-D227 IonicContact NH1-OD1 3.96Å; R225-D227 IonicContact NH1-OD2 2.68Å; R225-D227 PolarHBondContact NH1-OD2 3.45Å; R225-D227 IonicContact NH2-OD2 3.7Å; R225-D227 PolarHBondContact O-N 3.31Å; D227-L229 PolarHBondContact O-N 2.87Å; D227-K231 WeakPolarHBondContact O-CB 3.44Å; D227-K231 PolarHBondContact O-N 3.1Å; D227-L258 HydrophobicContact CB-CD2 4.16Å
228	H	83.1	Confident	85.2	Confident	86 Å²	86	55.3 Å²	55.3	40%	0.398	29%	0.286	S	S	.	.	H	α-helix	trans	-66.2	-40.2	179.8	-76.3	-156.1	0	0	0	111.7	R225 K231 A232 R354	R225-H228 HydrophobicContact CB-CB 4.2Å; R225-H228 PolarHBondContact NH1-CD2 3.12Å; R225-H228 PolarHBondContact NH1-NE2 3Å; R225-H228 PolarHBondContact O-N 2.95Å; H228-K231 PolarHBondContact O-N 3.37Å; H228-A232 WeakPolarHBondContact O-CB 3.23Å; H228-A232 PolarHBondContact O-N 3.22Å; H228-R354 PolarHBondContact CE1-NH1 2.75Å
229	L	87.6	Confident	84.7	Confident	16 Å²	16	55.2 Å²	55.2	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-68.3	-45.2	-179.7	-175.6	64.8	0	0	0	111	V215 F224 R225 A226 D227 K231 A232 H233 F270 V275 P278 L284	V215-L229 HydrophobicContact CG2-CD2 3.82Å; F224-L229 HydrophobicContact CB-CB 4.21Å; F224-L229 HydrophobicContact CB-CD2 3.86Å; F224-L229 HydrophobicContact CB-CG 4.47Å; F224-L229 HydrophobicContact CD2-CD2 4.13Å; F224-L229 HydrophobicContact CG-CD2 4.02Å; R225-L229 WeakPolarHBondContact O-CB 3.34Å; R225-L229 PolarHBondContact O-N 2.86Å; A226-L229 PolarHBondContact O-N 2.87Å; D227-L229 PolarHBondContact O-N 2.87Å; L229-K231 VanDerWaalsContact C-N 3.34Å; L229-K231 PolarHBondContact O-N 3.24Å; L229-A232 PolarHBondContact O-N 3.43Å; L229-H233 WeakPolarHBondContact O-CB 3.45Å; L229-H233 PolarHBondContact O-N 2.83Å; L229-F270 HydrophobicContact CB-CZ 4.41Å; L229-F270 HydrophobicContact CD2-CE1 4.11Å; L229-F270 HydrophobicContact CD2-CZ 4.44Å; L229-V275 HydrophobicContact CD2-CG1 4.11Å; L229-V275 HydrophobicContact CG-CG1 4.03Å; L229-P278 HydrophobicContact CD1-CB 4.38Å; L229-P278 HydrophobicContact CD1-CG 3.82Å; L229-L284 HydrophobicContact CD2-CD1 3.44Å; L229-L284 VanDerWaalsContact CD2-CD1 3.44Å
230	L	88.8	Confident	84.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-47	174.4	-179.9	58.4	0	0	0	110.3	A226 A232 H233 L234 V254 L258 L266 L269 F270 Y273 V275	A226-L230 WeakPolarHBondContact O-CB 3.28Å; A226-L230 PolarHBondContact O-N 3.38Å; L230-A232 PolarHBondContact O-N 3.05Å; L230-H233 PolarHBondContact O-N 2.89Å; L230-L234 HydrophobicContact CD1-CD1 3.96Å; L230-L234 HydrophobicContact CD1-CD2 4.33Å; L230-L234 HydrophobicContact CD1-CG 3.94Å; L230-L234 HydrophobicContact CG-CD1 3.98Å; L230-L234 HydrophobicContact CG-CG 4.33Å; L230-L234 WeakPolarHBondContact O-CB 3.26Å; L230-L234 VanDerWaalsContact O-CG 3.26Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 3.46Å; L230-V254 HydrophobicContact CD2-CG1 4.41Å; L230-L258 HydrophobicContact CB-CD2 4.19Å; L230-L258 HydrophobicContact CD2-CD2 3.77Å; L230-L258 HydrophobicContact CG-CD2 4.14Å; L230-L266 HydrophobicContact CD2-CD2 3.94Å; L230-L269 HydrophobicContact CD2-CB 3.83Å; L230-L269 HydrophobicContact CD2-CD1 4.04Å; L230-F270 HydrophobicContact CB-CD2 4.42Å; L230-F270 HydrophobicContact CB-CE2 3.73Å; L230-F270 HydrophobicContact CB-CZ 4.22Å; L230-F270 HydrophobicContact CD2-CD2 4.38Å; L230-F270 HydrophobicContact CD2-CE2 4.31Å; L230-F270 HydrophobicContact CG-CE2 4.46Å; L230-Y273 HydrophobicContact CD1-CD2 4.2Å; L230-V275 HydrophobicContact CD1-CG2 3.73Å
231	K	85.1	Confident	84.3	Confident	50 Å²	50	57.1 Å²	57.1	22%	0.217	30%	0.298	C	S	.	.	H	α-helix	trans	-53.8	-53.3	175.8	-171.3	173.3	176.3	-178.8	0	112.6	D227 H228 L229 H233 L234 Q235 I255 L258	D227-K231 WeakPolarHBondContact O-CB 3.44Å; D227-K231 PolarHBondContact O-N 3.1Å; H228-K231 PolarHBondContact O-N 3.37Å; L229-K231 VanDerWaalsContact C-N 3.34Å; L229-K231 PolarHBondContact O-N 3.24Å; K231-H233 VanDerWaalsContact C-N 3.3Å; K231-H233 PolarHBondContact O-N 3.1Å; K231-L234 PolarHBondContact O-N 2.99Å; K231-Q235 WeakPolarHBondContact O-CB 3.46Å; K231-Q235 VanDerWaalsContact O-CG 3.3Å; K231-Q235 WeakPolarHBondContact O-CG 3.35Å; K231-Q235 PolarHBondContact O-N 2.99Å; K231-I255 HydrophobicContact CD-CG2 4.38Å; K231-I255 HydrophobicContact CG-CG1 4.4Å; K231-I255 HydrophobicContact CG-CG2 4.08Å; K231-L258 HydrophobicContact CB-CD1 3.55Å; K231-L258 HydrophobicContact CD-CD1 4.25Å; K231-L258 HydrophobicContact CG-CD1 3.98Å
232	A	84.9	Confident	84.2	Confident	52 Å²	52	64.4 Å²	64.4	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-38.6	-178.1	0	0	0	0	0	111.7	H228 L229 L230 K236	H228-A232 WeakPolarHBondContact O-CB 3.23Å; H228-A232 PolarHBondContact O-N 3.22Å; L229-A232 PolarHBondContact O-N 3.43Å; L230-A232 PolarHBondContact O-N 3.05Å; A232-K236 WeakPolarHBondContact O-CB 3.35Å; A232-K236 PolarHBondContact O-N 3.42Å
233	H	88	Confident	84	Confident	46 Å²	46	62.6 Å²	62.6	21%	0.213	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-48.2	176.7	-171.2	87	0	0	0	111.8	L229 L230 K231 K236 L237 Y273 V275	L229-H233 WeakPolarHBondContact O-CB 3.45Å; L229-H233 PolarHBondContact O-N 2.83Å; L230-H233 PolarHBondContact O-N 2.89Å; K231-H233 VanDerWaalsContact C-N 3.3Å; K231-H233 PolarHBondContact O-N 3.1Å; H233-K236 WeakPolarHBondContact O-CB 3.44Å; H233-K236 PolarHBondContact O-N 3.35Å; H233-L237 WeakPolarHBondContact O-CG 3.4Å; H233-L237 PolarHBondContact O-N 3.35Å; H233-Y273 PolarHBondContact NE2-O 3.29Å; H233-V275 HydrophobicContact CB-CG1 4.24Å; H233-V275 HydrophobicContact CB-CG2 4.43Å
234	L	87	Confident	83.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-44.3	177.8	-67.2	-178.8	0	0	0	111.7	L230 K231 K236 L237 M238 M251 V254 I255 Y273	L230-L234 HydrophobicContact CD1-CD1 3.96Å; L230-L234 HydrophobicContact CD1-CD2 4.33Å; L230-L234 HydrophobicContact CD1-CG 3.94Å; L230-L234 HydrophobicContact CG-CD1 3.98Å; L230-L234 HydrophobicContact CG-CG 4.33Å; L230-L234 WeakPolarHBondContact O-CB 3.26Å; L230-L234 VanDerWaalsContact O-CG 3.26Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 3.46Å; K231-L234 PolarHBondContact O-N 2.99Å; L234-K236 VanDerWaalsContact C-N 3.28Å; L234-K236 PolarHBondContact O-N 3.38Å; L234-L237 HydrophobicContact CD2-CD1 4.46Å; L234-L237 PolarHBondContact O-N 3.38Å; L234-L237 VanDerWaalsContact O-N 3.15Å; L234-M238 VanDerWaalsContact O-CG 3.31Å; L234-M238 WeakPolarHBondContact O-CG 3.48Å; L234-M238 PolarHBondContact O-N 3.01Å; L234-M251 HydrophobicContact CB-CB 4.48Å; L234-M251 HydrophobicContact CD2-CB 4.33Å; L234-M251 HydrophobicContact CD2-CG 3.92Å; L234-M251 HydrophobicContact CD2-SD 4.23Å; L234-V254 HydrophobicContact CD1-CB 4.01Å; L234-V254 HydrophobicContact CD1-CG1 3.61Å; L234-I255 HydrophobicContact CB-CD1 3.72Å; L234-I255 HydrophobicContact CB-CG1 3.94Å; L234-I255 HydrophobicContact CD1-CD1 4.46Å; L234-I255 HydrophobicContact CD1-CG1 3.81Å; L234-Y273 HydrophobicContact CD2-CD1 3.69Å; L234-Y273 HydrophobicContact CD2-CD2 3.73Å; L234-Y273 HydrophobicContact CD2-CE1 3.99Å; L234-Y273 HydrophobicContact CD2-CE2 4Å; L234-Y273 HydrophobicContact CD2-CG 3.57Å
235	Q	83.8	Confident	83.6	Confident	97 Å²	97	67.2 Å²	67.2	45%	0.453	35%	0.353	S	S	.	.	H	α-helix	trans	-58.2	-40.7	174.4	-73.9	178.4	-31.9	0	0	112.3	K231 M238 S239 I255	K231-Q235 WeakPolarHBondContact O-CB 3.46Å; K231-Q235 VanDerWaalsContact O-CG 3.3Å; K231-Q235 WeakPolarHBondContact O-CG 3.35Å; K231-Q235 PolarHBondContact O-N 2.99Å; Q235-M238 HydrophobicContact CG-CE 4.09Å; Q235-M238 PolarHBondContact O-N 3.38Å; Q235-S239 PolarHBondContact O-N 3.48Å; Q235-I255 HydrophobicContact CG-CD1 3.9Å
236	K	85.2	Confident	83.2	Confident	158 Å²	158	72.7 Å²	72.7	69%	0.687	38%	0.381	S	S	*	.	H	α-helix	trans	-63	-45.5	174.9	-173	-179.8	-179.9	-179.3	0	111.6	A232 H233 L234 M238 S239	A232-K236 WeakPolarHBondContact O-CB 3.35Å; A232-K236 PolarHBondContact O-N 3.42Å; H233-K236 WeakPolarHBondContact O-CB 3.44Å; H233-K236 PolarHBondContact O-N 3.35Å; L234-K236 VanDerWaalsContact C-N 3.28Å; L234-K236 PolarHBondContact O-N 3.38Å; K236-M238 VanDerWaalsContact C-N 3.34Å; K236-M238 PolarHBondContact O-N 2.81Å; K236-S239 PolarHBondContact O-N 3.02Å; K236-S239 PolarHBondContact O-OG 3.37Å
237	L	85.5	Confident	82.9	Confident	62 Å²	62	78.7 Å²	78.7	33%	0.325	41%	0.407	S	S	.	.	H	α-helix	trans	-62	-39.8	176	-68.5	177.2	0	0	0	112.3	H233 L234 S239 D240 C243 M251	H233-L237 WeakPolarHBondContact O-CG 3.4Å; H233-L237 PolarHBondContact O-N 3.35Å; L234-L237 HydrophobicContact CD2-CD1 4.46Å; L234-L237 PolarHBondContact O-N 3.38Å; L234-L237 VanDerWaalsContact O-N 3.15Å; L237-S239 VanDerWaalsContact C-N 3.29Å; L237-S239 PolarHBondContact O-N 3.4Å; L237-D240 WeakPolarHBondContact O-CB 3.42Å; L237-D240 PolarHBondContact O-N 2.93Å; L237-C243 WeakPolarHBondContact O-CB 3.44Å; L237-M251 HydrophobicContact CB-CE 4.11Å; L237-M251 HydrophobicContact CB-SD 3.83Å; L237-M251 HydrophobicContact CD1-CE 3.89Å; L237-M251 HydrophobicContact CD1-SD 4.31Å
238	M	81.1	Confident	82.7	Confident	33 Å²	33	81.2 Å²	81.2	16%	0.163	42%	0.417	C	S	.	.	H	α-helix	trans	-68.7	-26.3	177	-68.5	-169.6	-59.1	0	0	113.4	L234 Q235 K236 D240 K248 M251 D252 I255	L234-M238 VanDerWaalsContact O-CG 3.31Å; L234-M238 WeakPolarHBondContact O-CG 3.48Å; L234-M238 PolarHBondContact O-N 3.01Å; Q235-M238 HydrophobicContact CG-CE 4.09Å; Q235-M238 PolarHBondContact O-N 3.38Å; K236-M238 VanDerWaalsContact C-N 3.34Å; K236-M238 PolarHBondContact O-N 2.81Å; M238-D240 VanDerWaalsContact C-N 3.27Å; M238-D240 PolarHBondContact O-N 3.45Å; M238-K248 HydrophobicContact CB-CG 4.42Å; M238-K248 HydrophobicContact CG-CG 4.28Å; M238-K248 WeakPolarHBondContact O-CE 3.27Å; M238-K248 PolarHBondContact O-NZ 2.9Å; M238-M251 HydrophobicContact CG-CB 3.91Å; M238-M251 HydrophobicContact CG-SD 3.88Å; M238-M251 HydrophobicContact SD-CB 3.81Å; M238-D252 HydrophobicContact SD-CB 4.28Å; M238-I255 HydrophobicContact CE-CD1 3.26Å; M238-I255 HydrophobicContact SD-CD1 4.36Å
239	S	80.2	Confident	82.1	Confident	92 Å²	92	80.1 Å²	80.1	64%	0.643	42%	0.423	S	S	*	.	H	α-helix	trans	-73.9	-16.3	175.9	76.1	0	0	0	0	113.6	Q235 K236 L237 K241	Q235-S239 PolarHBondContact O-N 3.48Å; K236-S239 PolarHBondContact O-N 3.02Å; K236-S239 PolarHBondContact O-OG 3.37Å; L237-S239 VanDerWaalsContact C-N 3.29Å; L237-S239 PolarHBondContact O-N 3.4Å; S239-K241 PolarHBondContact O-N 3.36Å
240	D	82.1	Confident	81.8	Confident	83 Å²	83	82.9 Å²	82.9	44%	0.444	44%	0.435	S	S	.	.	S	Bend	trans	-68.9	130.5	174.5	-165.8	-23.8	0	0	0	110.5	L237 M238 K242 C243	L237-D240 WeakPolarHBondContact O-CB 3.42Å; L237-D240 PolarHBondContact O-N 2.93Å; M238-D240 VanDerWaalsContact C-N 3.27Å; M238-D240 PolarHBondContact O-N 3.45Å; D240-K242 PolarHBondContact O-N 3.01Å; D240-K242 PolarHBondContact OD1-N 3.25Å; D240-C243 WeakPolarHBondContact O-CB 3.34Å; D240-C243 PolarHBondContact O-N 3.11Å
241	K	78	Confident	81.5	Confident	208 Å²	208	83.5 Å²	83.5	90%	0.904	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21	177.1	-66.3	-174.7	178.8	-178.1	0	112.6	S239	S239-K241 PolarHBondContact O-N 3.36Å
242	K	80.4	Confident	80.9	Confident	193 Å²	193	84 Å²	84	84%	0.839	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.3	179.2	-62.4	178.8	-178.6	178	0	113.7	D240 A244	D240-K242 PolarHBondContact O-N 3.01Å; D240-K242 PolarHBondContact OD1-N 3.25Å; K242-A244 PolarHBondContact O-N 2.94Å
243	C	77.7	Confident	80.3	Confident	25 Å²	25	83.9 Å²	83.9	17%	0.169	44%	0.44	C	S	.	.	S	Bend	trans	-77	121.2	-179.5	-172.5	0	0	0	0	110.7	L237 D240 K248	L237-C243 WeakPolarHBondContact O-CB 3.44Å; D240-C243 WeakPolarHBondContact O-CB 3.34Å; D240-C243 PolarHBondContact O-N 3.11Å; C243-K248 HydrophobicContact CB-CG 4.25Å; C243-K248 VanDerWaalsContact O-CE 3.31Å; C243-K248 WeakPolarHBondContact O-CE 3.42Å
244	A	83.6	Confident	79.8	Confident	55 Å²	55	82.1 Å²	82.1	46%	0.455	43%	0.432	S	S	.	.			trans	-63.1	146.7	-179.7	0	0	0	0	0	111.9	K242 E246 K247 K248	K242-A244 PolarHBondContact O-N 2.94Å; A244-E246 VanDerWaalsContact C-N 3.27Å; A244-E246 PolarHBondContact O-N 2.82Å; A244-K247 PolarHBondContact O-N 3.28Å; A244-K247 VanDerWaalsContact O-N 3.11Å; A244-K248 PolarHBondContact O-N 2.91Å
245	A	78.7	Confident	79.1	Confident	83 Å²	83	82.5 Å²	82.5	69%	0.686	43%	0.434	S	S	*	.	H	α-helix	trans	-57.3	-38.8	-177.7	0	0	0	0	0	113	K248 A249	A245-K248 PolarHBondContact O-N 3.29Å; A245-A249 PolarHBondContact O-N 3.46Å
246	E	78.1	Confident	78.3	Confident	168 Å²	168	78 Å²	78	79%	0.785	41%	0.413	S	S	*	.	H	α-helix	trans	-63.4	-44.1	176.3	-67	174	177.3	0	0	112.3	A244 K248 A249 E250	A244-E246 VanDerWaalsContact C-N 3.27Å; A244-E246 PolarHBondContact O-N 2.82Å; E246-K248 VanDerWaalsContact C-N 3.33Å; E246-K248 PolarHBondContact O-N 2.99Å; E246-A249 PolarHBondContact O-N 3.11Å; E246-E250 PolarHBondContact O-N 3.33Å
247	K	80.9	Confident	77.5	Confident	125 Å²	125	72.2 Å²	72.2	54%	0.543	39%	0.388	S	S	.	.	H	α-helix	trans	-66.5	-34.6	175.3	-79	-171.9	176.1	-178.2	0	112.2	A244 E250 M251	A244-K247 PolarHBondContact O-N 3.28Å; A244-K247 VanDerWaalsContact O-N 3.11Å; K247-E250 PolarHBondContact O-N 2.81Å; K247-M251 WeakPolarHBondContact O-CB 3.44Å; K247-M251 WeakPolarHBondContact O-CG 3.49Å; K247-M251 PolarHBondContact O-N 3.5Å
248	K	75.9	Confident	76.9	Confident	74 Å²	74	69.6 Å²	69.6	32%	0.322	38%	0.375	S	S	.	.	H	α-helix	trans	-63.3	-46.8	173.2	-69.3	-168.9	-173.3	-163.5	0	111	M238 C243 A244 A245 E246 E250 M251 D252	M238-K248 HydrophobicContact CB-CG 4.42Å; M238-K248 HydrophobicContact CG-CG 4.28Å; M238-K248 WeakPolarHBondContact O-CE 3.27Å; M238-K248 PolarHBondContact O-NZ 2.9Å; C243-K248 HydrophobicContact CB-CG 4.25Å; C243-K248 VanDerWaalsContact O-CE 3.31Å; C243-K248 WeakPolarHBondContact O-CE 3.42Å; A244-K248 PolarHBondContact O-N 2.91Å; A245-K248 PolarHBondContact O-N 3.29Å; E246-K248 VanDerWaalsContact C-N 3.33Å; E246-K248 PolarHBondContact O-N 2.99Å; K248-E250 VanDerWaalsContact C-N 3.32Å; K248-E250 PolarHBondContact O-N 3.02Å; K248-M251 PolarHBondContact O-N 3.16Å; K248-D252 WeakPolarHBondContact O-CB 3.33Å; K248-D252 PolarHBondContact O-N 3Å
249	A	71.8	Confident	76.1	Confident	63 Å²	63	72 Å²	72	52%	0.521	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-40.4	177.6	0	0	0	0	0	112.3	A245 E246 D252 S253	A245-A249 PolarHBondContact O-N 3.46Å; E246-A249 PolarHBondContact O-N 3.11Å; A249-D252 PolarHBondContact O-N 2.87Å; A249-S253 WeakPolarHBondContact O-CB 3.25Å; A249-S253 PolarHBondContact O-N 2.74Å
250	E	81.8	Confident	75.5	Confident	74 Å²	74	71.3 Å²	71.3	35%	0.346	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-50.1	174.2	-172.7	-162	142.4	0	0	111.9	E246 K247 K248 D252 S253 V254 K272 Y273	E246-E250 PolarHBondContact O-N 3.33Å; K247-E250 PolarHBondContact O-N 2.81Å; K248-E250 VanDerWaalsContact C-N 3.32Å; K248-E250 PolarHBondContact O-N 3.02Å; E250-D252 VanDerWaalsContact C-N 3.31Å; E250-D252 PolarHBondContact O-N 2.93Å; E250-S253 WeakPolarHBondContact O-CB 3.32Å; E250-S253 PolarHBondContact O-N 3.25Å; E250-V254 WeakPolarHBondContact O-CG2 3.36Å; E250-V254 PolarHBondContact O-N 3.14Å; E250-K272 WeakPolarHBondContact OE1-CE 3.33Å; E250-K272 IonicContact OE1-NZ 2.66Å; E250-K272 PolarHBondContact OE1-NZ 3.26Å; E250-Y273 PolarHBondContact OE1-OH 3.44Å
251	M	82.4	Confident	75.3	Confident	13 Å²	13	69 Å²	69	6%	0.064	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-36.7	179.4	-68.9	177.6	-172.6	0	0	112.2	L234 L237 M238 K247 K248 V254 I255 Y273	L234-M251 HydrophobicContact CB-CB 4.48Å; L234-M251 HydrophobicContact CD2-CB 4.33Å; L234-M251 HydrophobicContact CD2-CG 3.92Å; L234-M251 HydrophobicContact CD2-SD 4.23Å; L237-M251 HydrophobicContact CB-CE 4.11Å; L237-M251 HydrophobicContact CB-SD 3.83Å; L237-M251 HydrophobicContact CD1-CE 3.89Å; L237-M251 HydrophobicContact CD1-SD 4.31Å; M238-M251 HydrophobicContact CG-CB 3.91Å; M238-M251 HydrophobicContact CG-SD 3.88Å; M238-M251 HydrophobicContact SD-CB 3.81Å; K247-M251 WeakPolarHBondContact O-CB 3.44Å; K247-M251 WeakPolarHBondContact O-CG 3.49Å; K247-M251 PolarHBondContact O-N 3.5Å; K248-M251 PolarHBondContact O-N 3.16Å; M251-V254 PolarHBondContact O-N 3.4Å; M251-I255 WeakPolarHBondContact O-CG1 3.44Å; M251-I255 PolarHBondContact O-N 3.4Å; M251-Y273 HydrophobicContact CE-CD1 4.1Å; M251-Y273 HydrophobicContact CE-CE1 3.91Å; M251-Y273 HydrophobicContact CG-CE1 3.95Å
252	D	72.8	Confident	75.4	Confident	61 Å²	61	61.5 Å²	61.5	33%	0.326	34%	0.336	S	S	.	.	H	α-helix	trans	-64.9	-45.5	175.8	-146.6	27.4	0	0	0	109.8	M238 K248 A249 E250 V254 I255 T256	M238-D252 HydrophobicContact SD-CB 4.28Å; K248-D252 WeakPolarHBondContact O-CB 3.33Å; K248-D252 PolarHBondContact O-N 3Å; A249-D252 PolarHBondContact O-N 2.87Å; E250-D252 VanDerWaalsContact C-N 3.31Å; E250-D252 PolarHBondContact O-N 2.93Å; D252-V254 PolarHBondContact O-N 2.7Å; D252-I255 PolarHBondContact O-N 2.93Å; D252-I255 VanDerWaalsContact O-N 3.08Å; D252-T256 VanDerWaalsContact O-CB 3.24Å; D252-T256 WeakPolarHBondContact O-CB 3.34Å; D252-T256 PolarHBondContact O-N 2.92Å; D252-T256 PolarHBondContact O-OG1 2.9Å
253	S	71.6	Confident	75.6	Confident	49 Å²	49	56.2 Å²	56.2	34%	0.343	32%	0.315	S	S	.	.	H	α-helix	trans	-58.8	-33.3	172.9	-177.5	0	0	0	0	113.4	A249 E250 T256 Q257	A249-S253 WeakPolarHBondContact O-CB 3.25Å; A249-S253 PolarHBondContact O-N 2.74Å; E250-S253 WeakPolarHBondContact O-CB 3.32Å; E250-S253 PolarHBondContact O-N 3.25Å; S253-T256 WeakPolarHBondContact O-CB 3.44Å; S253-Q257 WeakPolarHBondContact O-CG 3.32Å; S253-Q257 PolarHBondContact O-N 3.46Å
254	V	77.6	Confident	76	Confident	9 Å²	9	60.6 Å²	60.6	6%	0.055	33%	0.333	C	S	.	.	H	α-helix	trans	-70.4	-46.7	173.8	173.1	0	0	0	0	110.6	L230 L234 E250 M251 D252 T256 Q257 L258 Y261 L269 Y273	L230-V254 HydrophobicContact CD2-CG1 4.41Å; L234-V254 HydrophobicContact CD1-CB 4.01Å; L234-V254 HydrophobicContact CD1-CG1 3.61Å; E250-V254 WeakPolarHBondContact O-CG2 3.36Å; E250-V254 PolarHBondContact O-N 3.14Å; M251-V254 PolarHBondContact O-N 3.4Å; D252-V254 PolarHBondContact O-N 2.7Å; V254-T256 PolarHBondContact O-N 3.42Å; V254-Q257 PolarHBondContact O-N 3.38Å; V254-Q257 VanDerWaalsContact O-N 3.13Å; V254-L258 PolarHBondContact O-N 3.24Å; V254-Y261 HydrophobicContact CG1-CE2 3.91Å; V254-Y261 WeakPolarHBondContact O-CE2 3.42Å; V254-L269 HydrophobicContact CG1-CD1 4Å; V254-L269 HydrophobicContact CG1-CD2 3.97Å; V254-L269 HydrophobicContact CG2-CD2 4.11Å; V254-Y273 HydrophobicContact CG1-CE2 4.46Å; V254-Y273 HydrophobicContact CG2-CE2 4.32Å
255	I	72.9	Confident	76.2	Confident	7 Å²	7	62.1 Å²	62.1	4%	0.036	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-39.7	178.1	-73.1	164.9	0	0	0	111.4	K231 L234 Q235 M238 M251 D252 Q257 L258	K231-I255 HydrophobicContact CD-CG2 4.38Å; K231-I255 HydrophobicContact CG-CG1 4.4Å; K231-I255 HydrophobicContact CG-CG2 4.08Å; L234-I255 HydrophobicContact CB-CD1 3.72Å; L234-I255 HydrophobicContact CB-CG1 3.94Å; L234-I255 HydrophobicContact CD1-CD1 4.46Å; L234-I255 HydrophobicContact CD1-CG1 3.81Å; Q235-I255 HydrophobicContact CG-CD1 3.9Å; M238-I255 HydrophobicContact CE-CD1 3.26Å; M238-I255 HydrophobicContact SD-CD1 4.36Å; M251-I255 WeakPolarHBondContact O-CG1 3.44Å; M251-I255 PolarHBondContact O-N 3.4Å; D252-I255 PolarHBondContact O-N 2.93Å; D252-I255 VanDerWaalsContact O-N 3.08Å; I255-Q257 VanDerWaalsContact C-N 3.32Å; I255-Q257 PolarHBondContact O-N 2.9Å; I255-L258 HydrophobicContact CB-CD1 4.3Å; I255-L258 HydrophobicContact CG1-CD1 4.36Å; I255-L258 HydrophobicContact CG2-CD1 4.31Å; I255-L258 WeakPolarHBondContact O-CB 3.33Å; I255-L258 WeakPolarHBondContact O-CD1 3.3Å; I255-L258 PolarHBondContact O-N 2.52Å
256	T	65.1	Low	76.6	Confident	4 Å²	4	58.3 Å²	58.3	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-53.6	-49	175.2	-73.6	0	0	0	0	111.8	A108 E109 A112 D252 S253 V254	A108-T256 HydrophobicContact CB-CG2 3.71Å; A108-T256 VanDerWaalsContact CB-O 3.31Å; A108-T256 WeakPolarHBondContact CB-O 3.48Å; A108-T256 VanDerWaalsContact O-CG2 3.31Å; A108-T256 WeakPolarHBondContact O-CG2 3.33Å; E109-T256 HydrophobicContact CB-CG2 3.84Å; E109-T256 WeakPolarHBondContact OE2-CG2 3.35Å; E109-T256 PolarHBondContact OE2-OG1 3.22Å; A112-T256 HydrophobicContact CB-CG2 4.1Å; A112-T256 WeakPolarHBondContact CB-OG1 3.37Å; D252-T256 VanDerWaalsContact O-CB 3.24Å; D252-T256 WeakPolarHBondContact O-CB 3.34Å; D252-T256 PolarHBondContact O-N 2.92Å; D252-T256 PolarHBondContact O-OG1 2.9Å; S253-T256 WeakPolarHBondContact O-CB 3.44Å; V254-T256 PolarHBondContact O-N 3.42Å
257	Q	69.6	Low	77.2	Confident	35 Å²	35	51.6 Å²	51.6	16%	0.164	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	7.5	-172.2	-65.5	176.1	-1	0	0	114.2	A108 S253 V254 I255 D259 N260 Y261	A108-Q257 HydrophobicContact CB-CG 3.97Å; S253-Q257 WeakPolarHBondContact O-CG 3.32Å; S253-Q257 PolarHBondContact O-N 3.46Å; V254-Q257 PolarHBondContact O-N 3.38Å; V254-Q257 VanDerWaalsContact O-N 3.13Å; I255-Q257 VanDerWaalsContact C-N 3.32Å; I255-Q257 PolarHBondContact O-N 2.9Å; Q257-D259 PolarHBondContact O-N 3.4Å; Q257-D259 VanDerWaalsContact O-N 3.11Å; Q257-N260 WeakPolarHBondContact O-CB 3.48Å; Q257-N260 PolarHBondContact O-N 2.76Å; Q257-Y261 HydrophobicContact CB-CE1 4.29Å; Q257-Y261 HydrophobicContact CB-CE2 4.07Å; Q257-Y261 PolarHBondContact OE1-OH 3.07Å
258	L	72.7	Confident	77.7	Confident	7 Å²	7	49.8 Å²	49.8	4%	0.037	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-51.2	-38.9	-173.8	-95.4	165.2	0	0	0	114.8	D227 L230 K231 V254 I255 N260 L266	D227-L258 HydrophobicContact CB-CD2 4.16Å; L230-L258 HydrophobicContact CB-CD2 4.19Å; L230-L258 HydrophobicContact CD2-CD2 3.77Å; L230-L258 HydrophobicContact CG-CD2 4.14Å; K231-L258 HydrophobicContact CB-CD1 3.55Å; K231-L258 HydrophobicContact CD-CD1 4.25Å; K231-L258 HydrophobicContact CG-CD1 3.98Å; V254-L258 PolarHBondContact O-N 3.24Å; I255-L258 HydrophobicContact CB-CD1 4.3Å; I255-L258 HydrophobicContact CG1-CD1 4.36Å; I255-L258 HydrophobicContact CG2-CD1 4.31Å; I255-L258 WeakPolarHBondContact O-CB 3.33Å; I255-L258 WeakPolarHBondContact O-CD1 3.3Å; I255-L258 PolarHBondContact O-N 2.52Å; L258-N260 PolarHBondContact O-N 2.61Å; L258-L266 HydrophobicContact CD2-CD2 4.32Å
259	D	63.5	Low	78.5	Confident	84 Å²	84	47.1 Å²	47.1	45%	0.449	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-72.9	-10.5	-177.4	-58.3	-29.3	0	0	0	112.7	R115 Q257	R115-D259 IonicContact NH2-OD2 2.72Å; Q257-D259 PolarHBondContact O-N 3.4Å; Q257-D259 VanDerWaalsContact O-N 3.11Å
260	N	69.3	Low	79.5	Confident	77 Å²	77	44.8 Å²	44.8	41%	0.412	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-106.3	-10.2	-173.9	-57.3	-30.3	0	0	0	113.6	T104 Q257 L258	T104-N260 HydrophobicContact CG2-CB 4.42Å; T104-N260 VanDerWaalsContact CG2-ND2 3.26Å; T104-N260 WeakPolarHBondContact CG2-ND2 3.21Å; Q257-N260 WeakPolarHBondContact O-CB 3.48Å; Q257-N260 PolarHBondContact O-N 2.76Å; L258-N260 PolarHBondContact O-N 2.61Å
261	Y	77.3	Confident	80	Confident	34 Å²	34	46.6 Å²	46.6	13%	0.133	25%	0.249	C	C	.	.			trans	-74.9	132.2	-176.7	-67.9	-50.7	0	0	0	111.5	V254 Q257 E265 L266 L269	V254-Y261 HydrophobicContact CG1-CE2 3.91Å; V254-Y261 WeakPolarHBondContact O-CE2 3.42Å; Q257-Y261 HydrophobicContact CB-CE1 4.29Å; Q257-Y261 HydrophobicContact CB-CE2 4.07Å; Q257-Y261 PolarHBondContact OE1-OH 3.07Å; Y261-E265 HydrophobicContact CD1-CB 3.94Å; Y261-E265 HydrophobicContact CG-CB 4.31Å; Y261-L266 HydrophobicContact CD2-CD2 4.33Å; Y261-L269 HydrophobicContact CD1-CD1 4.24Å; Y261-L269 HydrophobicContact CD2-CD1 3.49Å; Y261-L269 VanDerWaalsContact CD2-CD1 3.49Å; Y261-L269 HydrophobicContact CE1-CD1 4.22Å; Y261-L269 HydrophobicContact CE2-CD1 3.45Å; Y261-L269 VanDerWaalsContact CE2-CD1 3.45Å; Y261-L269 HydrophobicContact CG-CD1 3.91Å
262	S	79.9	Confident	80.4	Confident	51 Å²	51	51.9 Å²	51.9	36%	0.357	27%	0.271	S	S	.	.			trans	-66.3	166.4	168.5	65.9	0	0	0	0	111.6	Q264 E265 L266	S262-Q264 PolarHBondContact O-N 3Å; S262-E265 WeakPolarHBondContact CB-OE2 3.34Å; S262-E265 PolarHBondContact N-OE2 3.37Å; S262-E265 PolarHBondContact O-N 3.04Å; S262-E265 WeakPolarHBondContact OG-CG 2.95Å; S262-E265 PolarHBondContact OG-N 2.88Å; S262-E265 PolarHBondContact OG-OE2 3.19Å; S262-L266 PolarHBondContact O-N 2.96Å
263	Q	83.9	Confident	81.3	Confident	82 Å²	82	50 Å²	50	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-52.4	-42.1	175.6	-169.3	-180	-11.9	0	0	112.9	Y213 T267 P287	Y213-Q263 HydrophobicContact CD1-CB 4.19Å; Y213-Q263 HydrophobicContact CD1-CG 4.13Å; Y213-Q263 HydrophobicContact CE1-CB 3.54Å; Y213-Q263 HydrophobicContact CE1-CG 3.88Å; Y213-Q263 PolarHBondContact OH-N 3.15Å; Q263-T267 PolarHBondContact O-N 3.46Å; Q263-T267 PolarHBondContact O-OG1 2.91Å; Q263-P287 VanDerWaalsContact CG-O 3.28Å; Q263-P287 WeakPolarHBondContact CG-O 3.24Å; Q263-P287 PolarHBondContact NE2-O 2.85Å
264	Q	87.4	Confident	82.3	Confident	117 Å²	117	52.1 Å²	52.1	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-70.6	-44.9	-178.4	-172.8	59.6	48.4	0	0	111.1	S262 L266 T267 D268	S262-Q264 PolarHBondContact O-N 3Å; Q264-L266 VanDerWaalsContact C-N 3.33Å; Q264-L266 PolarHBondContact O-N 3.4Å; Q264-T267 WeakPolarHBondContact O-CA 3.46Å; Q264-T267 VanDerWaalsContact O-CB 3.27Å; Q264-T267 WeakPolarHBondContact O-CB 3.43Å; Q264-T267 PolarHBondContact O-N 2.89Å; Q264-D268 PolarHBondContact NE2-OD1 2.77Å; Q264-D268 VanDerWaalsContact O-CG 3.28Å; Q264-D268 PolarHBondContact O-N 3.23Å
265	E	87.4	Confident	83	Confident	88 Å²	88	52 Å²	52	41%	0.411	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-40.9	177.8	-69.4	165.2	130.9	0	0	111.6	Y261 S262 T267 D268 L269	Y261-E265 HydrophobicContact CD1-CB 3.94Å; Y261-E265 HydrophobicContact CG-CB 4.31Å; S262-E265 WeakPolarHBondContact CB-OE2 3.34Å; S262-E265 PolarHBondContact N-OE2 3.37Å; S262-E265 PolarHBondContact O-N 3.04Å; S262-E265 WeakPolarHBondContact OG-CG 2.95Å; S262-E265 PolarHBondContact OG-N 2.88Å; S262-E265 PolarHBondContact OG-OE2 3.19Å; E265-T267 VanDerWaalsContact C-N 3.31Å; E265-T267 PolarHBondContact O-N 2.95Å; E265-D268 PolarHBondContact O-N 3.4Å; E265-L269 WeakPolarHBondContact O-CB 3.3Å; E265-L269 VanDerWaalsContact O-CG 3.22Å; E265-L269 WeakPolarHBondContact O-CG 3.47Å; E265-L269 PolarHBondContact O-N 2.9Å
266	L	86.3	Confident	83.9	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-39.9	172.3	-79.5	173.1	0	0	0	111.8	Y213 L230 L258 Y261 S262 Q264 D268 L269 F270 P287	Y213-L266 HydrophobicContact CD2-CD1 3.37Å; Y213-L266 HydrophobicContact CE2-CD1 4.12Å; Y213-L266 HydrophobicContact CG-CD1 3.9Å; L230-L266 HydrophobicContact CD2-CD2 3.94Å; L258-L266 HydrophobicContact CD2-CD2 4.32Å; Y261-L266 HydrophobicContact CD2-CD2 4.33Å; S262-L266 PolarHBondContact O-N 2.96Å; Q264-L266 VanDerWaalsContact C-N 3.33Å; Q264-L266 PolarHBondContact O-N 3.4Å; L266-D268 VanDerWaalsContact C-N 3.33Å; L266-D268 PolarHBondContact O-N 3.45Å; L266-L269 PolarHBondContact O-N 3.41Å; L266-F270 WeakPolarHBondContact O-CB 3.36Å; L266-F270 WeakPolarHBondContact O-CD2 3.45Å; L266-F270 PolarHBondContact O-N 2.89Å; L266-P287 HydrophobicContact CB-CB 4.34Å; L266-P287 HydrophobicContact CB-CG 4.03Å
267	T	90.4	Very high	85	Confident	27 Å²	27	54.8 Å²	54.8	17%	0.166	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-47.3	176.2	-56.9	0	0	0	0	110.6	Q263 Q264 E265 L269 F270 V271 A286 P287	Q263-T267 PolarHBondContact O-N 3.46Å; Q263-T267 PolarHBondContact O-OG1 2.91Å; Q264-T267 WeakPolarHBondContact O-CA 3.46Å; Q264-T267 VanDerWaalsContact O-CB 3.27Å; Q264-T267 WeakPolarHBondContact O-CB 3.43Å; Q264-T267 PolarHBondContact O-N 2.89Å; E265-T267 VanDerWaalsContact C-N 3.31Å; E265-T267 PolarHBondContact O-N 2.95Å; T267-L269 VanDerWaalsContact C-N 3.35Å; T267-L269 PolarHBondContact O-N 3.05Å; T267-F270 PolarHBondContact O-N 3.23Å; T267-V271 WeakPolarHBondContact O-CG2 3.48Å; T267-V271 PolarHBondContact O-N 3Å; T267-V271 VanDerWaalsContact O-N 3.11Å; T267-A286 HydrophobicContact CG2-CB 4.22Å; T267-P287 WeakPolarHBondContact OG1-CD 3.5Å
268	D	92.3	Very high	85.7	Confident	88 Å²	88	56.8 Å²	56.8	47%	0.471	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-39.5	-179.5	-60.7	-18	0	0	0	111.5	Q264 E265 L266 V271 K272	Q264-D268 PolarHBondContact NE2-OD1 2.77Å; Q264-D268 VanDerWaalsContact O-CG 3.28Å; Q264-D268 PolarHBondContact O-N 3.23Å; E265-D268 PolarHBondContact O-N 3.4Å; L266-D268 VanDerWaalsContact C-N 3.33Å; L266-D268 PolarHBondContact O-N 3.45Å; D268-V271 PolarHBondContact O-N 3.14Å; D268-K272 VanDerWaalsContact O-CB 3.24Å; D268-K272 WeakPolarHBondContact O-CB 3.43Å; D268-K272 PolarHBondContact O-N 3.35Å
269	L	92.1	Very high	86.1	Confident	18 Å²	18	60.9 Å²	60.9	9%	0.094	32%	0.32	C	S	.	.	H	α-helix	trans	-65.9	-40.5	175.7	-69.3	167.3	0	0	0	112.2	L230 V254 Y261 E265 L266 T267 V271 K272 Y273	L230-L269 HydrophobicContact CD2-CB 3.83Å; L230-L269 HydrophobicContact CD2-CD1 4.04Å; V254-L269 HydrophobicContact CG1-CD1 4Å; V254-L269 HydrophobicContact CG1-CD2 3.97Å; V254-L269 HydrophobicContact CG2-CD2 4.11Å; Y261-L269 HydrophobicContact CD1-CD1 4.24Å; Y261-L269 HydrophobicContact CD2-CD1 3.49Å; Y261-L269 VanDerWaalsContact CD2-CD1 3.49Å; Y261-L269 HydrophobicContact CE1-CD1 4.22Å; Y261-L269 HydrophobicContact CE2-CD1 3.45Å; Y261-L269 VanDerWaalsContact CE2-CD1 3.45Å; Y261-L269 HydrophobicContact CG-CD1 3.91Å; E265-L269 WeakPolarHBondContact O-CB 3.3Å; E265-L269 VanDerWaalsContact O-CG 3.22Å; E265-L269 WeakPolarHBondContact O-CG 3.47Å; E265-L269 PolarHBondContact O-N 2.9Å; L266-L269 PolarHBondContact O-N 3.41Å; T267-L269 VanDerWaalsContact C-N 3.35Å; T267-L269 PolarHBondContact O-N 3.05Å; L269-V271 VanDerWaalsContact C-N 3.3Å; L269-V271 PolarHBondContact O-N 3.28Å; L269-K272 PolarHBondContact O-N 2.63Å; L269-Y273 HydrophobicContact CD2-CD2 4.43Å; L269-Y273 HydrophobicContact CD2-CE2 3.81Å; L269-Y273 VanDerWaalsContact O-CD2 3.28Å; L269-Y273 WeakPolarHBondContact O-CD2 3.21Å; L269-Y273 PolarHBondContact O-N 3.04Å
270	F	92.6	Very high	87.1	Confident	14 Å²	14	59.8 Å²	59.8	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-60.8	-41	175.8	-95.4	-111	0	0	0	111.8	V215 A226 L229 L230 L266 T267 N274 V275 L284 P287	V215-F270 HydrophobicContact CB-CE1 4.34Å; V215-F270 HydrophobicContact CG1-CD1 4.25Å; V215-F270 HydrophobicContact CG1-CE1 3.78Å; V215-F270 HydrophobicContact CG1-CZ 4.03Å; V215-F270 HydrophobicContact CG2-CE1 3.91Å; V215-F270 HydrophobicContact CG2-CZ 4.19Å; A226-F270 HydrophobicContact CB-CE2 4.03Å; A226-F270 HydrophobicContact CB-CZ 4Å; A226-F270 WeakPolarHBondContact O-CE2 3.4Å; A226-F270 VanDerWaalsContact O-CZ 3.27Å; A226-F270 WeakPolarHBondContact O-CZ 3.35Å; L229-F270 HydrophobicContact CB-CZ 4.41Å; L229-F270 HydrophobicContact CD2-CE1 4.11Å; L229-F270 HydrophobicContact CD2-CZ 4.44Å; L230-F270 HydrophobicContact CB-CD2 4.42Å; L230-F270 HydrophobicContact CB-CE2 3.73Å; L230-F270 HydrophobicContact CB-CZ 4.22Å; L230-F270 HydrophobicContact CD2-CD2 4.38Å; L230-F270 HydrophobicContact CD2-CE2 4.31Å; L230-F270 HydrophobicContact CG-CE2 4.46Å; L266-F270 WeakPolarHBondContact O-CB 3.36Å; L266-F270 WeakPolarHBondContact O-CD2 3.45Å; L266-F270 PolarHBondContact O-N 2.89Å; T267-F270 PolarHBondContact O-N 3.23Å; F270-N274 WeakPolarHBondContact O-CA 3.34Å; F270-N274 PolarHBondContact O-N 2.9Å; F270-N274 VanDerWaalsContact O-N 3.08Å; F270-V275 HydrophobicContact CD1-CB 3.67Å; F270-V275 HydrophobicContact CD1-CG1 3.92Å; F270-V275 HydrophobicContact CD1-CG2 4.29Å; F270-V275 HydrophobicContact CE1-CB 3.97Å; F270-V275 HydrophobicContact CE1-CG1 3.67Å; F270-V275 HydrophobicContact CG-CB 4.18Å; F270-V275 HydrophobicContact CG-CG2 4.34Å; F270-V275 HydrophobicContact CZ-CG1 4.3Å; F270-V275 PolarHBondContact O-N 3.26Å; F270-L284 HydrophobicContact CD1-CD1 4.23Å; F270-L284 HydrophobicContact CE1-CD1 3.86Å; F270-P287 HydrophobicContact CD2-CG 4.29Å
271	V	92.2	Very high	88	Confident	112 Å²	112	58.2 Å²	58.2	68%	0.679	32%	0.318	S	S	*	.	H	α-helix	trans	-68.2	-48.8	174.7	174.5	0	0	0	0	110.8	T267 D268 L269 Y273 N274	T267-V271 WeakPolarHBondContact O-CG2 3.48Å; T267-V271 PolarHBondContact O-N 3Å; T267-V271 VanDerWaalsContact O-N 3.11Å; D268-V271 PolarHBondContact O-N 3.14Å; L269-V271 VanDerWaalsContact C-N 3.3Å; L269-V271 PolarHBondContact O-N 3.28Å; V271-Y273 VanDerWaalsContact C-N 3.33Å; V271-Y273 PolarHBondContact O-N 2.91Å; V271-N274 PolarHBondContact O-N 2.79Å; V271-N274 VanDerWaalsContact O-N 3.08Å
272	K	92.2	Very high	88.6	Confident	123 Å²	123	57.8 Å²	57.8	54%	0.535	32%	0.318	S	S	.	.	H	α-helix	trans	-56.8	-43.9	-177.9	179.5	179.7	176.6	-174.7	0	112.7	E250 D268 L269	E250-K272 WeakPolarHBondContact OE1-CE 3.33Å; E250-K272 IonicContact OE1-NZ 2.66Å; E250-K272 PolarHBondContact OE1-NZ 3.26Å; D268-K272 VanDerWaalsContact O-CB 3.24Å; D268-K272 WeakPolarHBondContact O-CB 3.43Å; D268-K272 PolarHBondContact O-N 3.35Å; L269-K272 PolarHBondContact O-N 2.63Å
273	Y	91.6	Very high	89.3	Confident	23 Å²	23	60.1 Å²	60.1	9%	0.09	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	4.6	179.9	-62.5	-69.2	0	0	0	113.5	L230 H233 L234 E250 M251 V254 L269 V271 V275	L230-Y273 HydrophobicContact CD1-CD2 4.2Å; H233-Y273 PolarHBondContact NE2-O 3.29Å; L234-Y273 HydrophobicContact CD2-CD1 3.69Å; L234-Y273 HydrophobicContact CD2-CD2 3.73Å; L234-Y273 HydrophobicContact CD2-CE1 3.99Å; L234-Y273 HydrophobicContact CD2-CE2 4Å; L234-Y273 HydrophobicContact CD2-CG 3.57Å; E250-Y273 PolarHBondContact OE1-OH 3.44Å; M251-Y273 HydrophobicContact CE-CD1 4.1Å; M251-Y273 HydrophobicContact CE-CE1 3.91Å; M251-Y273 HydrophobicContact CG-CE1 3.95Å; V254-Y273 HydrophobicContact CG1-CE2 4.46Å; V254-Y273 HydrophobicContact CG2-CE2 4.32Å; L269-Y273 HydrophobicContact CD2-CD2 4.43Å; L269-Y273 HydrophobicContact CD2-CE2 3.81Å; L269-Y273 VanDerWaalsContact O-CD2 3.28Å; L269-Y273 WeakPolarHBondContact O-CD2 3.21Å; L269-Y273 PolarHBondContact O-N 3.04Å; V271-Y273 VanDerWaalsContact C-N 3.33Å; V271-Y273 PolarHBondContact O-N 2.91Å; Y273-V275 VanDerWaalsContact C-N 3.29Å; Y273-V275 PolarHBondContact O-N 3.4Å
274	N	91.6	Very high	89.7	Confident	93 Å²	93	57.4 Å²	57.4	50%	0.497	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	50.5	179	-169.8	28.1	0	0	0	111.9	F270 V271 K276	F270-N274 WeakPolarHBondContact O-CA 3.34Å; F270-N274 PolarHBondContact O-N 2.9Å; F270-N274 VanDerWaalsContact O-N 3.08Å; V271-N274 PolarHBondContact O-N 2.79Å; V271-N274 VanDerWaalsContact O-N 3.08Å; N274-K276 PolarHBondContact O-N 3.29Å; N274-K276 VanDerWaalsContact OD1-CE 3.26Å; N274-K276 WeakPolarHBondContact OD1-CE 3.26Å
275	V	92.3	Very high	89.9	Confident	6 Å²	6	54.3 Å²	54.3	4%	0.036	30%	0.301	C	S	.	.			trans	-70.6	126.3	-176.4	-176.4	0	0	0	0	109.2	L229 L230 H233 F270 Y273 L284	L229-V275 HydrophobicContact CD2-CG1 4.11Å; L229-V275 HydrophobicContact CG-CG1 4.03Å; L230-V275 HydrophobicContact CD1-CG2 3.73Å; H233-V275 HydrophobicContact CB-CG1 4.24Å; H233-V275 HydrophobicContact CB-CG2 4.43Å; F270-V275 HydrophobicContact CD1-CB 3.67Å; F270-V275 HydrophobicContact CD1-CG1 3.92Å; F270-V275 HydrophobicContact CD1-CG2 4.29Å; F270-V275 HydrophobicContact CE1-CB 3.97Å; F270-V275 HydrophobicContact CE1-CG1 3.67Å; F270-V275 HydrophobicContact CG-CB 4.18Å; F270-V275 HydrophobicContact CG-CG2 4.34Å; F270-V275 HydrophobicContact CZ-CG1 4.3Å; F270-V275 PolarHBondContact O-N 3.26Å; Y273-V275 VanDerWaalsContact C-N 3.29Å; Y273-V275 PolarHBondContact O-N 3.4Å; V275-L284 HydrophobicContact CG1-CD1 4.12Å
276	K	92.1	Very high	90.1	Very high	65 Å²	65	52.8 Å²	52.8	28%	0.283	30%	0.303	S	S	.	.			trans	-122.1	164.7	-179.7	-58	-159.1	-173.9	-156.8	0	111.5	N274 G281 N282 E283	N274-K276 PolarHBondContact O-N 3.29Å; N274-K276 VanDerWaalsContact OD1-CE 3.26Å; N274-K276 WeakPolarHBondContact OD1-CE 3.26Å; K276-G281 VanDerWaalsContact CD-O 3.26Å; K276-G281 WeakPolarHBondContact CD-O 3.39Å; K276-N282 WeakPolarHBondContact CB-O 3.43Å; K276-E283 VanDerWaalsContact CE-OE1 3.27Å; K276-E283 WeakPolarHBondContact CE-OE1 3.42Å; K276-E283 IonicContact NZ-OE1 3.86Å; K276-E283 PolarHBondContact NZ-OE1 2.86Å
277	S	88.3	Confident	90.3	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.028	30%	0.303	C	S	.	.			trans	-54.5	127.4	174.2	176.9	0	0	0	0	110.5	D217 T279 T280 G281 N282	D217-S277 WeakPolarHBondContact OD2-CB 3.37Å; D217-S277 PolarHBondContact OD2-OG 2.89Å; S277-T279 VanDerWaalsContact C-N 3.29Å; S277-T279 PolarHBondContact O-N 3.03Å; S277-T279 PolarHBondContact OG-OG1 3.43Å; S277-T280 WeakPolarHBondContact CB-OG1 3.37Å; S277-T280 PolarHBondContact OG-OG1 2.92Å; S277-G281 VanDerWaalsContact O-CA 3.23Å; S277-G281 WeakPolarHBondContact O-CA 3.44Å; S277-G281 PolarHBondContact O-N 3.1Å; S277-N282 PolarHBondContact N-O 3.29Å
278	P	84.7	Confident	90.2	Very high	78 Å²	78	54.9 Å²	54.9	51%	0.506	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.8	-172.7	28.9	-33.5	0	0	0	113.1	F224 L229	F224-P278 HydrophobicContact CD1-CG 4.32Å; F224-P278 HydrophobicContact CE1-CG 3.76Å; F224-P278 HydrophobicContact CZ-CG 4.1Å; L229-P278 HydrophobicContact CD1-CB 4.38Å; L229-P278 HydrophobicContact CD1-CG 3.82Å
279	T	81.3	Confident	89.8	Confident	92 Å²	92	54 Å²	54	56%	0.564	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-41.7	-178.2	37.5	0	0	0	0	111.9	E222 S277	E222-T279 PolarHBondContact OE2-OG1 2.92Å; S277-T279 VanDerWaalsContact C-N 3.29Å; S277-T279 PolarHBondContact O-N 3.03Å; S277-T279 PolarHBondContact OG-OG1 3.43Å
280	T	84.8	Confident	89.4	Confident	62 Å²	62	55.8 Å²	55.8	38%	0.38	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-20	-171	63.1	0	0	0	0	114	D217 S277 N282	D217-T280 PolarHBondContact OD2-OG1 2.92Å; S277-T280 WeakPolarHBondContact CB-OG1 3.37Å; S277-T280 PolarHBondContact OG-OG1 2.92Å; T280-N282 VanDerWaalsContact CB-ND2 3.35Å; T280-N282 WeakPolarHBondContact CB-ND2 3.4Å; T280-N282 PolarHBondContact O-N 2.79Å; T280-N282 WeakPolarHBondContact OG1-CB 3.47Å; T280-N282 PolarHBondContact OG1-N 3.31Å; T280-N282 PolarHBondContact OG1-ND2 3Å; T280-N282 VanDerWaalsContact OG1-ND2 3.07Å
281	G	87.6	Confident	88.9	Confident	43 Å²	43	57.2 Å²	57.2	44%	0.443	33%	0.329	S	S	.	.			trans	71.7	9.8	-171	0	0	0	0	0	114.7	K276 S277	K276-G281 VanDerWaalsContact CD-O 3.26Å; K276-G281 WeakPolarHBondContact CD-O 3.39Å; S277-G281 VanDerWaalsContact O-CA 3.23Å; S277-G281 WeakPolarHBondContact O-CA 3.44Å; S277-G281 PolarHBondContact O-N 3.1Å
282	N	90.6	Very high	88.7	Confident	25 Å²	25	52.8 Å²	52.8	13%	0.134	30%	0.301	C	S	.	.			trans	-73.3	161.3	178.4	-64.3	-38.8	0	0	0	112.6	D217 K219 K276 S277 T280	D217-N282 WeakPolarHBondContact OD1-CB 3.37Å; D217-N282 PolarHBondContact OD1-ND2 3.45Å; D217-N282 WeakPolarHBondContact OD2-CB 3.14Å; D217-N282 PolarHBondContact OD2-ND2 2.86Å; K219-N282 WeakPolarHBondContact CD-OD1 3.29Å; K219-N282 WeakPolarHBondContact CE-OD1 3.16Å; K219-N282 PolarHBondContact NZ-OD1 2.82Å; K276-N282 WeakPolarHBondContact CB-O 3.43Å; S277-N282 PolarHBondContact N-O 3.29Å; T280-N282 VanDerWaalsContact CB-ND2 3.35Å; T280-N282 WeakPolarHBondContact CB-ND2 3.4Å; T280-N282 PolarHBondContact O-N 2.79Å; T280-N282 WeakPolarHBondContact OG1-CB 3.47Å; T280-N282 PolarHBondContact OG1-N 3.31Å; T280-N282 PolarHBondContact OG1-ND2 3Å; T280-N282 VanDerWaalsContact OG1-ND2 3.07Å
283	E	93.5	Very high	88.7	Confident	101 Å²	101	47.1 Å²	47.1	47%	0.472	28%	0.277	S	S	.	.			trans	-61.5	149.6	169.1	-60.2	-55.6	142.9	0	0	111.6	V218 K276	V218-E283 HydrophobicContact CG2-CB 4.39Å; V218-E283 WeakPolarHBondContact CG2-O 3.49Å; V218-E283 PolarHBondContact N-O 3.01Å; V218-E283 VanDerWaalsContact N-O 3.07Å; K276-E283 VanDerWaalsContact CE-OE1 3.27Å; K276-E283 WeakPolarHBondContact CE-OE1 3.42Å; K276-E283 IonicContact NZ-OE1 3.86Å; K276-E283 PolarHBondContact NZ-OE1 2.86Å
284	L	92.6	Very high	88.9	Confident	25 Å²	25	48.8 Å²	48.8	13%	0.131	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-109.4	150.4	179.2	-64	168.2	0	0	0	110.4	V215 K216 D217 F224 L229 F270 V275	V215-L284 HydrophobicContact CB-CB 4.37Å; V215-L284 HydrophobicContact CG2-CD1 4.17Å; V215-L284 HydrophobicContact CG2-CD2 4.41Å; K216-L284 CarbonylContact O-C 3.55Å; K216-L284 VanDerWaalsContact O-CA 3.25Å; K216-L284 WeakPolarHBondContact O-CA 3.2Å; D217-L284 HydrophobicContact CB-CD2 4.34Å; F224-L284 HydrophobicContact CD2-CD2 4.01Å; F224-L284 HydrophobicContact CE2-CD2 4.05Å; L229-L284 HydrophobicContact CD2-CD1 3.44Å; L229-L284 VanDerWaalsContact CD2-CD1 3.44Å; F270-L284 HydrophobicContact CD1-CD1 4.23Å; F270-L284 HydrophobicContact CE1-CD1 3.86Å; V275-L284 HydrophobicContact CG1-CD1 4.12Å
285	T	92.5	Very high	89	Confident	52 Å²	52	50.9 Å²	50.9	32%	0.319	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-65.2	159.9	167.2	64.8	0	0	0	0	110.6	V215 K216 V218	V215-T285 WeakPolarHBondContact CG1-O 3.5Å; K216-T285 HydrophobicContact CB-CG2 4.08Å; K216-T285 PolarHBondContact N-OG1 3.15Å; K216-T285 PolarHBondContact O-N 3.46Å; V218-T285 HydrophobicContact CG2-CG2 4.13Å
286	A	91.1	Very high	89.1	Confident	56 Å²	56	53.5 Å²	53.5	46%	0.463	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-57.1	146.5	168.3	0	0	0	0	0	110.9	T267 I288	T267-A286 HydrophobicContact CG2-CB 4.22Å; A286-I288 PolarHBondContact O-N 3.44Å
287	P	91	Very high	89.2	Confident	1 Å²	1	53 Å²	53	1%	0.006	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-52.4	127.7	170.7	-26.6	33.1	0	0	0	111.6	M214 V215 A226 Q263 L266 T267 F270	M214-P287 WeakPolarHBondContact O-CA 3.41Å; V215-P287 HydrophobicContact CG1-CB 4.15Å; V215-P287 HydrophobicContact CG1-CG 3.78Å; A226-P287 HydrophobicContact CB-CB 4.26Å; A226-P287 HydrophobicContact CB-CG 4.41Å; Q263-P287 VanDerWaalsContact CG-O 3.28Å; Q263-P287 WeakPolarHBondContact CG-O 3.24Å; Q263-P287 PolarHBondContact NE2-O 2.85Å; L266-P287 HydrophobicContact CB-CB 4.34Å; L266-P287 HydrophobicContact CB-CG 4.03Å; T267-P287 WeakPolarHBondContact OG1-CD 3.5Å; F270-P287 HydrophobicContact CD2-CG 4.29Å
288	I	88.2	Confident	89.5	Confident	72 Å²	72	55.2 Å²	55.2	37%	0.369	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.1	175.1	58.6	170.2	0	0	0	110.3	Y213 M214 A286 F290	Y213-I288 CarbonylContact C-O 3.58Å; Y213-I288 WeakPolarHBondContact CA-O 3.41Å; M214-I288 HydrophobicContact CE-CD1 3.97Å; M214-I288 HydrophobicContact CE-CG1 4.24Å; M214-I288 PolarHBondContact N-O 3.41Å; M214-I288 WeakPolarHBondContact O-CG1 3.48Å; M214-I288 PolarHBondContact O-N 3Å; A286-I288 PolarHBondContact O-N 3.44Å; I288-F290 PolarHBondContact O-N 3.01Å
289	S	82.9	Confident	89.9	Confident	70 Å²	70	53.8 Å²	53.8	49%	0.49	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132	172.7	-174.7	0	0	0	0	110.2	A211	A211-S289 WeakPolarHBondContact CB-OG 3.08Å
290	F	83.6	Confident	90.2	Very high	54 Å²	54	56.5 Å²	56.5	24%	0.237	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.3	-177.3	-178.1	-100	0	0	0	110.3	A211 D212 M214 I288 L292 N344 I346	A211-F290 VanDerWaalsContact CA-O 3.27Å; A211-F290 WeakPolarHBondContact CA-O 3.34Å; D212-F290 PolarHBondContact N-O 3.46Å; D212-F290 PolarHBondContact O-N 2.99Å; M214-F290 HydrophobicContact CB-CB 3.96Å; M214-F290 HydrophobicContact CE-CB 4.12Å; M214-F290 HydrophobicContact CE-CD2 3.48Å; M214-F290 VanDerWaalsContact CE-CD2 3.48Å; M214-F290 HydrophobicContact CE-CE2 4.08Å; M214-F290 HydrophobicContact CE-CG 3.93Å; M214-F290 HydrophobicContact SD-CD2 4.09Å; M214-F290 HydrophobicContact SD-CE2 4.43Å; M214-F290 HydrophobicContact SD-CG 4.16Å; I288-F290 PolarHBondContact O-N 3.01Å; F290-L292 HydrophobicContact CD1-CD2 4.24Å; F290-L292 PolarHBondContact O-N 2.89Å; F290-N344 HydrophobicContact CE1-CB 4.38Å; F290-N344 WeakPolarHBondContact CE1-O 3.35Å; F290-N344 VanDerWaalsContact CZ-ND2 3.31Å; F290-N344 WeakPolarHBondContact CZ-ND2 3.23Å; F290-I346 HydrophobicContact CB-CD1 4.48Å; F290-I346 HydrophobicContact CD1-CD1 4.08Å; F290-I346 HydrophobicContact CD1-CG1 3.62Å; F290-I346 HydrophobicContact CE1-CG1 4.03Å; F290-I346 HydrophobicContact CG-CG1 4.43Å
291	N	82.4	Confident	90.2	Very high	45 Å²	45	56 Å²	56	24%	0.241	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	125.8	178.1	-166.3	-38	0	0	0	110.1	F210 M293	F210-N291 WeakPolarHBondContact O-CA 3.3Å; F210-N291 PolarHBondContact O-OD1 3.26Å; N291-M293 PolarHBondContact O-N 2.89Å; N291-M293 VanDerWaalsContact OD1-CB 3.32Å; N291-M293 WeakPolarHBondContact OD1-CB 3.22Å; N291-M293 PolarHBondContact OD1-N 3.35Å
292	L	87.8	Confident	90	Very high	18 Å²	18	56.3 Å²	56.3	9%	0.094	35%	0.351	C	S	.	.			trans	-80.5	2.5	179.6	-62.7	178	0	0	0	113	F210 D212 F290 R343 N344 I346	F210-L292 HydrophobicContact CD1-CB 3.99Å; F210-L292 PolarHBondContact O-N 3.17Å; D212-L292 HydrophobicContact CB-CD2 4.21Å; D212-L292 HydrophobicContact CB-CG 4.44Å; D212-L292 WeakPolarHBondContact OD2-CD1 3.37Å; F290-L292 HydrophobicContact CD1-CD2 4.24Å; F290-L292 PolarHBondContact O-N 2.89Å; L292-R343 CarbonylContact O-C 3.55Å; L292-N344 WeakPolarHBondContact CD2-O 3.36Å; L292-N344 WeakPolarHBondContact O-CB 3.14Å; L292-N344 PolarHBondContact O-N 3.32Å; L292-I346 HydrophobicContact CD2-CD1 4.27Å; L292-I346 HydrophobicContact CD2-CG1 4.16Å
293	M	93.2	Very high	89.9	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.025	38%	0.384	C	S	.	.	S	Bend	trans	-96.4	140.3	173.9	-59.9	-174.4	-67.5	0	0	110.7	L201 H206 V207 F210 N291 Q295 Y307 P310	L201-M293 HydrophobicContact CB-SD 4.44Å; L201-M293 HydrophobicContact CD1-SD 3.8Å; H206-M293 HydrophobicContact CB-CE 4.17Å; H206-M293 HydrophobicContact CB-SD 3.79Å; V207-M293 HydrophobicContact CB-CE 4.32Å; V207-M293 HydrophobicContact CG2-CE 3.82Å; F210-M293 HydrophobicContact CB-CG 4.27Å; F210-M293 HydrophobicContact CD1-CG 4.25Å; N291-M293 PolarHBondContact O-N 2.89Å; N291-M293 VanDerWaalsContact OD1-CB 3.32Å; N291-M293 WeakPolarHBondContact OD1-CB 3.22Å; N291-M293 PolarHBondContact OD1-N 3.35Å; M293-Q295 PolarHBondContact O-N 3.24Å; M293-Y307 HydrophobicContact CB-CD1 3.64Å; M293-Y307 HydrophobicContact CB-CE1 4.27Å; M293-Y307 HydrophobicContact CB-CG 4.29Å; M293-Y307 HydrophobicContact CE-CD1 4.26Å; M293-Y307 HydrophobicContact CE-CE1 4.23Å; M293-P310 HydrophobicContact CG-CB 4.42Å; M293-P310 HydrophobicContact CG-CG 4.42Å; M293-P310 HydrophobicContact SD-CG 4.05Å
294	F	94.8	Very high	89.9	Confident	58 Å²	58	62.2 Å²	62.2	25%	0.254	39%	0.385	S	S	.	.			trans	-74.8	110.4	172.7	-76	-84.3	0	0	0	109.9	Y307 L308 F342 N344 R356	F294-Y307 CarbonylContact O-C 3.59Å; F294-Y307 WeakPolarHBondContact O-CA 3.47Å; F294-L308 HydrophobicContact CB-CB 4.15Å; F294-L308 HydrophobicContact CB-CD1 3.91Å; F294-L308 HydrophobicContact CB-CG 4.1Å; F294-L308 HydrophobicContact CG-CD1 4.38Å; F294-L308 PolarHBondContact O-N 3.37Å; F294-F342 HydrophobicContact CD2-CB 3.8Å; F294-F342 HydrophobicContact CE2-CB 4.3Å; F294-N344 HydrophobicContact CD1-CB 4.31Å; F294-N344 HydrophobicContact CD2-CB 3.91Å; F294-N344 HydrophobicContact CE1-CB 4.1Å; F294-N344 HydrophobicContact CE2-CB 3.72Å; F294-N344 HydrophobicContact CG-CB 4.23Å; F294-N344 HydrophobicContact CZ-CB 3.81Å; F294-N344 WeakPolarHBondContact CZ-OD1 3.49Å; F294-R356 HydrophobicContact CE2-CB 4.16Å; F294-R356 HydrophobicContact CZ-CB 4.1Å; F294-R356 HydrophobicContact CZ-CG 4.37Å
295	Q	93.6	Very high	89.9	Confident	137 Å²	137	63 Å²	63	64%	0.64	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	145.5	177	-168.3	176.3	4	0	0	111.5	M293 Y307	M293-Q295 PolarHBondContact O-N 3.24Å; Q295-Y307 HydrophobicContact CB-CD1 3.94Å; Q295-Y307 HydrophobicContact CB-CE1 3.76Å; Q295-Y307 HydrophobicContact CG-CD1 4.25Å; Q295-Y307 HydrophobicContact CG-CE1 3.83Å
296	T	94.9	Very high	90	Very high	60 Å²	60	60.6 Å²	60.6	37%	0.368	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	177.4	174.5	-169.9	0	0	0	0	110.4	L195 G306	L195-T296 HydrophobicContact CD2-CG2 3.64Å; T296-G306 PolarHBondContact N-O 3.48Å; T296-G306 PolarHBondContact O-N 3.35Å
297	S	94.4	Very high	90.3	Very high	54 Å²	54	58.3 Å²	58.3	38%	0.378	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.4	171.5	173.9	0	0	0	0	110.2	G299 G302	S297-G299 PolarHBondContact OG-O 3.45Å; S297-G302 WeakPolarHBondContact OG-CA 3.29Å
298	I	94.3	Very high	90.6	Very high	52 Å²	52	60.3 Å²	60.3	27%	0.267	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.9	175.2	-57.7	173.3	0	0	0	108.7	P197 M304	P197-I298 HydrophobicContact CB-CD1 4.45Å; P197-I298 HydrophobicContact CG-CD1 4.1Å; I298-M304 HydrophobicContact CB-CB 4.15Å; I298-M304 HydrophobicContact CB-CG 4.05Å; I298-M304 HydrophobicContact CB-SD 4.03Å; I298-M304 HydrophobicContact CD1-CG 4.38Å; I298-M304 HydrophobicContact CD1-SD 4.24Å; I298-M304 HydrophobicContact CG2-SD 3.97Å; I298-M304 PolarHBondContact N-O 3.07Å
299	G	92.2	Very high	91	Very high	48 Å²	48	57.4 Å²	57.4	50%	0.495	35%	0.35	S	S	.	.	S	Bend	trans	82.2	162.3	-176.3	0	0	0	0	0	113.7	S297 G301	S297-G299 PolarHBondContact OG-O 3.45Å; G299-G301 VanDerWaalsContact C-N 3.28Å; G299-G301 PolarHBondContact O-N 2.96Å
300	P	88.4	Confident	91.6	Very high	149 Å²	149	54.1 Å²	54.1	97%	0.968	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-19.8	-169.7	29.2	-36.1	0	0	0	113.7
301	G	84.6	Confident	92.2	Very high	52 Å²	52	52.3 Å²	52.3	54%	0.536	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.9	-172.2	0	0	0	0	0	115.7	G299 N303	G299-G301 VanDerWaalsContact C-N 3.28Å; G299-G301 PolarHBondContact O-N 2.96Å; G301-N303 PolarHBondContact O-N 3.4Å; G301-N303 VanDerWaalsContact O-N 3.11Å; G301-N303 PolarHBondContact O-OD1 3.1Å
302	G	83.9	Confident	93	Very high	48 Å²	48	50.2 Å²	50.2	50%	0.495	31%	0.308	S	S	.	.	S	Bend	trans	75.7	-9.5	-177.7	0	0	0	0	0	115.3	S297 M304	S297-G302 WeakPolarHBondContact OG-CA 3.29Å; G302-M304 VanDerWaalsContact C-N 3.3Å; G302-M304 PolarHBondContact O-N 3.4Å
303	N	88.1	Confident	93.4	Very high	153 Å²	153	49.3 Å²	49.3	82%	0.818	30%	0.304	S	S	*	.			trans	-76.3	-12.2	-167.5	-63.9	-24	0	0	0	114.6	G301	G301-N303 PolarHBondContact O-N 3.4Å; G301-N303 VanDerWaalsContact O-N 3.11Å; G301-N303 PolarHBondContact O-OD1 3.1Å
304	M	92.8	Very high	93.5	Very high	98 Å²	98	49.5 Å²	49.5	48%	0.483	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	90.5	-179.1	-172.7	177.5	-68.1	0	0	109.7	I298 G302	I298-M304 HydrophobicContact CB-CB 4.15Å; I298-M304 HydrophobicContact CB-CG 4.05Å; I298-M304 HydrophobicContact CB-SD 4.03Å; I298-M304 HydrophobicContact CD1-CG 4.38Å; I298-M304 HydrophobicContact CD1-SD 4.24Å; I298-M304 HydrophobicContact CG2-SD 3.97Å; I298-M304 PolarHBondContact N-O 3.07Å; G302-M304 VanDerWaalsContact C-N 3.3Å; G302-M304 PolarHBondContact O-N 3.4Å
305	P	93.3	Very high	93.6	Very high	42 Å²	42	47.5 Å²	47.5	27%	0.273	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	140.6	172.7	26.3	-34.1	0	0	0	110.4	E198	E198-P305 HydrophobicContact CB-CB 4.29Å; E198-P305 HydrophobicContact CB-CG 4.08Å; E198-P305 PolarHBondContact N-O 3.38Å; E198-P305 VanDerWaalsContact N-O 3.08Å; E198-P305 WeakPolarHBondContact OE2-CG 3.41Å
306	G	94.6	Very high	93.9	Very high	0 Å²	0	41 Å²	41	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	173.6	176.9	0	0	0	0	0	111.1	T196 T296	T196-G306 CarbonylContact O-C 3.47Å; T196-G306 VanDerWaalsContact O-CA 3.24Å; T196-G306 WeakPolarHBondContact O-CA 3.13Å; T296-G306 PolarHBondContact N-O 3.48Å; T296-G306 PolarHBondContact O-N 3.35Å
307	Y	96.8	Very high	93.9	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.035	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.6	176.9	-58.7	-92.7	0	0	0	110.1	T196 E198 L201 V207 M293 F294 Q295	T196-Y307 PolarHBondContact N-O 3.5Å; T196-Y307 PolarHBondContact O-N 3.16Å; E198-Y307 HydrophobicContact CB-CD2 4.34Å; E198-Y307 HydrophobicContact CB-CE2 3.77Å; E198-Y307 HydrophobicContact CG-CE2 3.88Å; L201-Y307 HydrophobicContact CD1-CD2 3.88Å; L201-Y307 HydrophobicContact CD1-CG 3.97Å; V207-Y307 HydrophobicContact CG2-CE2 4.16Å; M293-Y307 HydrophobicContact CB-CD1 3.64Å; M293-Y307 HydrophobicContact CB-CE1 4.27Å; M293-Y307 HydrophobicContact CB-CG 4.29Å; M293-Y307 HydrophobicContact CE-CD1 4.26Å; M293-Y307 HydrophobicContact CE-CE1 4.23Å; F294-Y307 CarbonylContact O-C 3.59Å; F294-Y307 WeakPolarHBondContact O-CA 3.47Å; Q295-Y307 HydrophobicContact CB-CD1 3.94Å; Q295-Y307 HydrophobicContact CB-CE1 3.76Å; Q295-Y307 HydrophobicContact CG-CD1 4.25Å; Q295-Y307 HydrophobicContact CG-CE1 3.83Å
308	L	98.3	Very high	94.1	Very high	43 Å²	43	39.5 Å²	39.5	23%	0.225	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	134.2	157.8	-58.6	178.8	0	0	0	108.7	L195 F294 F342	L195-L308 HydrophobicContact CD2-CD2 3.93Å; F294-L308 HydrophobicContact CB-CB 4.15Å; F294-L308 HydrophobicContact CB-CD1 3.91Å; F294-L308 HydrophobicContact CB-CG 4.1Å; F294-L308 HydrophobicContact CG-CD1 4.38Å; F294-L308 PolarHBondContact O-N 3.37Å; L308-F342 HydrophobicContact CB-CB 3.83Å; L308-F342 HydrophobicContact CB-CD1 4.46Å; L308-F342 HydrophobicContact CB-CD2 3.6Å; L308-F342 HydrophobicContact CB-CE2 4.27Å; L308-F342 HydrophobicContact CB-CG 3.71Å; L308-F342 HydrophobicContact CD1-CB 4.34Å; L308-F342 HydrophobicContact CD1-CD1 3.69Å; L308-F342 HydrophobicContact CD1-CD2 4.18Å; L308-F342 HydrophobicContact CD1-CE1 3.94Å; L308-F342 HydrophobicContact CD1-CE2 4.42Å; L308-F342 HydrophobicContact CD1-CG 3.81Å; L308-F342 HydrophobicContact CD1-CZ 4.3Å; L308-F342 HydrophobicContact CG-CD2 4.38Å; L308-F342 HydrophobicContact CG-CG 4.38Å
309	R	97.3	Very high	94.3	Very high	10 Å²	10	39.9 Å²	39.9	4%	0.038	26%	0.258	C	S	.	.			trans	-59.3	135.3	-175.9	70.9	-174.8	178.8	-157.3	4.6	112.4	C192 T193 M194 E311 N340 F342	C192-R309 PolarHBondContact O-NH1 2.95Å; T193-R309 PolarHBondContact O-NH1 3.26Å; M194-R309 PolarHBondContact O-N 2.97Å; R309-E311 WeakPolarHBondContact CB-O 3.45Å; R309-E311 VanDerWaalsContact CD-O 3.3Å; R309-E311 WeakPolarHBondContact CD-O 3.42Å; R309-E311 VanDerWaalsContact CG-O 3.3Å; R309-E311 WeakPolarHBondContact CG-O 3.27Å; R309-N340 PolarHBondContact NE-O 3.5Å; R309-N340 PolarHBondContact NH2-O 2.7Å; R309-F342 PolarHBondContact O-N 2.89Å
310	P	95.7	Very high	94.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	23%	0.234	C	C	.	.	S	Bend	trans	-84	-12.8	175.5	33.1	-35	0	0	0	114.3	L201 H206 F210 M293 F342 R343	L201-P310 HydrophobicContact CD2-CG 4.39Å; H206-P310 VanDerWaalsContact CD2-CG 3.48Å; H206-P310 WeakPolarHBondContact CD2-CG 3.43Å; F210-P310 HydrophobicContact CD1-CB 4.4Å; F210-P310 HydrophobicContact CE1-CB 3.9Å; F210-P310 HydrophobicContact CZ-CB 4.3Å; M293-P310 HydrophobicContact CG-CB 4.42Å; M293-P310 HydrophobicContact CG-CG 4.42Å; M293-P310 HydrophobicContact SD-CG 4.05Å; P310-F342 WeakPolarHBondContact CA-O 3.36Å; P310-R343 PolarHBondContact O-NE 2.97Å
311	E	95.8	Very high	95	Very high	16 Å²	16	36 Å²	36	8%	0.075	21%	0.212	C	C	.	.			trans	-152	167.5	178.5	64.4	-177.6	-165.6	0	0	109.4	H206 R309 A313 Q314 S341 R476	H206-E311 IonicContact CE1-OE1 3.99Å; H206-E311 PolarHBondContact CE1-OE1 3.27Å; H206-E311 IonicContact NE2-OE1 3.55Å; H206-E311 IonicContact NE2-OE2 3.97Å; R309-E311 WeakPolarHBondContact CB-O 3.45Å; R309-E311 VanDerWaalsContact CD-O 3.3Å; R309-E311 WeakPolarHBondContact CD-O 3.42Å; R309-E311 VanDerWaalsContact CG-O 3.3Å; R309-E311 WeakPolarHBondContact CG-O 3.27Å; E311-A313 HydrophobicContact CG-CB 4.36Å; E311-Q314 HydrophobicContact CG-CG 4.26Å; E311-Q314 WeakPolarHBondContact OE1-CG 3.11Å; E311-Q314 PolarHBondContact OE1-NE2 2.94Å; E311-S341 WeakPolarHBondContact CA-OG 3.48Å; E311-R476 IonicContact OE2-NH1 3.42Å
312	T	98	Very high	95.6	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.218	C	C	.	.	S	Bend	trans	-97.2	-21.5	177.9	70.9	0	0	0	0	113.7	Q314 G315 M360 E362	T312-Q314 VanDerWaalsContact C-N 3.31Å; T312-Q314 PolarHBondContact O-N 3.3Å; T312-G315 PolarHBondContact O-N 3.48Å; T312-G315 VanDerWaalsContact O-N 3.11Å; T312-M360 HydrophobicContact CG2-CB 4.46Å; T312-E362 WeakPolarHBondContact CA-OE2 3.44Å; T312-E362 VanDerWaalsContact CB-OE2 3.31Å; T312-E362 WeakPolarHBondContact CB-OE2 3.44Å; T312-E362 PolarHBondContact N-OE2 2.94Å; T312-E362 WeakPolarHBondContact OG1-CB 3.41Å; T312-E362 WeakPolarHBondContact OG1-CG 3.35Å; T312-E362 PolarHBondContact OG1-OE2 3.18Å
313	A	95.9	Very high	96.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-47.8	-43.1	-178.9	0	0	0	0	0	114.9	E311 G315 I316 F317 E362 E364	E311-A313 HydrophobicContact CG-CB 4.36Å; A313-G315 PolarHBondContact O-N 3.14Å; A313-G315 VanDerWaalsContact O-N 3.13Å; A313-I316 WeakPolarHBondContact O-CA 3.34Å; A313-I316 WeakPolarHBondContact O-CB 3.28Å; A313-I316 PolarHBondContact O-N 3.28Å; A313-F317 HydrophobicContact CB-CD2 4.43Å; A313-F317 HydrophobicContact CB-CE2 3.74Å; A313-F317 HydrophobicContact CB-CZ 4.24Å; A313-F317 WeakPolarHBondContact O-CD2 3.32Å; A313-F317 PolarHBondContact O-N 3.01Å; A313-F317 VanDerWaalsContact O-N 3.11Å; A313-E362 PolarHBondContact N-OE2 2.99Å; A313-E364 WeakPolarHBondContact CB-OE1 3.27Å
314	Q	95.6	Very high	96.8	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-57.5	-33.5	-177.6	-60.5	-59.1	-46.1	0	0	113.2	E311 T312 I316 F317 L318 D480 H484	E311-Q314 HydrophobicContact CG-CG 4.26Å; E311-Q314 WeakPolarHBondContact OE1-CG 3.11Å; E311-Q314 PolarHBondContact OE1-NE2 2.94Å; T312-Q314 VanDerWaalsContact C-N 3.31Å; T312-Q314 PolarHBondContact O-N 3.3Å; Q314-I316 VanDerWaalsContact C-N 3.3Å; Q314-I316 PolarHBondContact O-N 2.81Å; Q314-F317 PolarHBondContact O-N 3.41Å; Q314-L318 VanDerWaalsContact O-CG 3.27Å; Q314-L318 WeakPolarHBondContact O-CG 3.34Å; Q314-L318 PolarHBondContact O-N 3.13Å; Q314-L318 VanDerWaalsContact O-N 3.11Å; Q314-D480 PolarHBondContact NE2-OD1 3.07Å; Q314-H484 PolarHBondContact OE1-NE2 2.79Å
315	G	97.9	Very high	97.1	Very high	16 Å²	16	35.7 Å²	35.7	17%	0.165	17%	0.171	C	C	.	.	H	α-helix	trans	-63.4	-37.2	175.6	0	0	0	0	0	112.6	C192 T312 A313 N319	C192-G315 VanDerWaalsContact SG-CA 3.55Å; T312-G315 PolarHBondContact O-N 3.48Å; T312-G315 VanDerWaalsContact O-N 3.11Å; A313-G315 PolarHBondContact O-N 3.14Å; A313-G315 VanDerWaalsContact O-N 3.13Å; G315-N319 PolarHBondContact O-N 3.06Å; G315-N319 PolarHBondContact O-ND2 3.43Å
316	I	98.6	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.2	-47.3	177.9	-61.9	167.7	0	0	0	110.2	I190 A313 Q314 L318 N319 F320 L323 A335 Q337 E364 F366	I190-I316 HydrophobicContact CD1-CB 4.35Å; I190-I316 HydrophobicContact CD1-CG1 3.8Å; I190-I316 HydrophobicContact CG1-CG1 4.12Å; A313-I316 WeakPolarHBondContact O-CA 3.34Å; A313-I316 WeakPolarHBondContact O-CB 3.28Å; A313-I316 PolarHBondContact O-N 3.28Å; Q314-I316 VanDerWaalsContact C-N 3.3Å; Q314-I316 PolarHBondContact O-N 2.81Å; I316-L318 PolarHBondContact O-N 3.31Å; I316-N319 CarbonylContact O-C 3.47Å; I316-N319 PolarHBondContact O-N 2.97Å; I316-N319 VanDerWaalsContact O-N 3.08Å; I316-F320 PolarHBondContact O-N 3.32Å; I316-F320 VanDerWaalsContact O-N 3.12Å; I316-L323 HydrophobicContact CG2-CD1 3.81Å; I316-A335 HydrophobicContact CG2-CB 3.55Å; I316-Q337 HydrophobicContact CD1-CB 3.98Å; I316-Q337 HydrophobicContact CG1-CB 4.33Å; I316-E364 HydrophobicContact CB-CG 3.9Å; I316-E364 HydrophobicContact CD1-CG 3.7Å; I316-E364 HydrophobicContact CG1-CG 4.4Å; I316-E364 HydrophobicContact CG2-CB 3.86Å; I316-E364 HydrophobicContact CG2-CG 3.66Å; I316-F366 HydrophobicContact CG2-CE2 3.98Å; I316-F366 HydrophobicContact CG2-CZ 3.99Å
317	F	96.3	Very high	97.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-43	178.9	-60.3	-45	0	0	0	113	A313 Q314 N319 F320 E364 F366 D480 L481 V586	A313-F317 HydrophobicContact CB-CD2 4.43Å; A313-F317 HydrophobicContact CB-CE2 3.74Å; A313-F317 HydrophobicContact CB-CZ 4.24Å; A313-F317 WeakPolarHBondContact O-CD2 3.32Å; A313-F317 PolarHBondContact O-N 3.01Å; A313-F317 VanDerWaalsContact O-N 3.11Å; Q314-F317 PolarHBondContact O-N 3.41Å; F317-N319 PolarHBondContact O-N 3.28Å; F317-F320 WeakPolarHBondContact O-CB 3.43Å; F317-F320 PolarHBondContact O-N 3.49Å; F317-F320 VanDerWaalsContact O-N 3.15Å; F317-E364 HydrophobicContact CE1-CB 4.41Å; F317-E364 HydrophobicContact CE1-CG 3.96Å; F317-E364 HydrophobicContact CZ-CG 4.14Å; F317-E364 VanDerWaalsContact CZ-OE2 3.29Å; F317-E364 WeakPolarHBondContact CZ-OE2 3.14Å; F317-F366 HydrophobicContact CD1-CE1 4.09Å; F317-F366 HydrophobicContact CD1-CZ 4.06Å; F317-F366 HydrophobicContact CE1-CE1 4.15Å; F317-F366 HydrophobicContact CE1-CZ 4.19Å; F317-D480 HydrophobicContact CD1-CB 4.2Å; F317-D480 HydrophobicContact CD2-CB 3.53Å; F317-D480 HydrophobicContact CE1-CB 4.21Å; F317-D480 HydrophobicContact CE2-CB 3.53Å; F317-D480 VanDerWaalsContact CE2-CG 3.43Å; F317-D480 HydrophobicContact CG-CB 3.89Å; F317-D480 HydrophobicContact CZ-CB 3.9Å; F317-L481 HydrophobicContact CB-CD2 4.4Å; F317-L481 HydrophobicContact CD1-CD2 4.17Å; F317-V586 HydrophobicContact CE1-CG1 4.17Å; F317-V586 HydrophobicContact CE1-CG2 4.28Å
318	L	97.3	Very high	97.5	Very high	83 Å²	83	50.8 Å²	50.8	44%	0.435	24%	0.238	S	C	.	.	H	α-helix	trans	-66.4	-22.4	178.5	-67.2	174.9	0	0	0	113	V200 Q314 I316	V200-L318 HydrophobicContact CG1-CD1 3.86Å; V200-L318 HydrophobicContact CG2-CD1 4.24Å; Q314-L318 VanDerWaalsContact O-CG 3.27Å; Q314-L318 WeakPolarHBondContact O-CG 3.34Å; Q314-L318 PolarHBondContact O-N 3.13Å; Q314-L318 VanDerWaalsContact O-N 3.11Å; I316-L318 PolarHBondContact O-N 3.31Å
319	N	98.6	Very high	97.3	Very high	60 Å²	60	50.1 Å²	50.1	32%	0.321	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	7.1	176.5	-74.5	-72.4	0	0	0	113.7	I190 G315 I316 F317 K321 R322 L323	I190-N319 HydrophobicContact CD1-CB 4.37Å; G315-N319 PolarHBondContact O-N 3.06Å; G315-N319 PolarHBondContact O-ND2 3.43Å; I316-N319 CarbonylContact O-C 3.47Å; I316-N319 PolarHBondContact O-N 2.97Å; I316-N319 VanDerWaalsContact O-N 3.08Å; F317-N319 PolarHBondContact O-N 3.28Å; N319-K321 VanDerWaalsContact C-N 3.31Å; N319-K321 PolarHBondContact O-N 2.68Å; N319-K321 VanDerWaalsContact O-N 3.14Å; N319-R322 PolarHBondContact O-N 3.41Å; N319-L323 HydrophobicContact CB-CD1 4.27Å; N319-L323 HydrophobicContact CB-CG 4.47Å; N319-L323 PolarHBondContact O-N 2.99Å; N319-L323 VanDerWaalsContact O-N 3.09Å
320	F	98.3	Very high	97.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-48.2	-46.9	-174.7	172.7	-99.6	0	0	0	113.5	I316 F317 R322 L323 L324 F333 F366 L481 L492 P584	I316-F320 PolarHBondContact O-N 3.32Å; I316-F320 VanDerWaalsContact O-N 3.12Å; F317-F320 WeakPolarHBondContact O-CB 3.43Å; F317-F320 PolarHBondContact O-N 3.49Å; F317-F320 VanDerWaalsContact O-N 3.15Å; F320-R322 VanDerWaalsContact C-N 3.32Å; F320-R322 PolarHBondContact O-N 2.81Å; F320-L323 PolarHBondContact O-N 2.95Å; F320-L324 HydrophobicContact CE1-CB 4.46Å; F320-L324 HydrophobicContact CE1-CD2 3.89Å; F320-L324 HydrophobicContact CZ-CB 4.31Å; F320-L324 HydrophobicContact CZ-CD2 3.9Å; F320-L324 HydrophobicContact CZ-CG 4.5Å; F320-L324 VanDerWaalsContact O-CB 3.3Å; F320-L324 WeakPolarHBondContact O-CB 3.43Å; F320-L324 PolarHBondContact O-N 3.4Å; F320-F333 AromaticContact CD2-CZ 3.97Å; F320-F333 HydrophobicContact CD2-CZ 3.97Å; F320-F333 AromaticContact CE2-CE1 3.87Å; F320-F333 HydrophobicContact CE2-CE1 3.87Å; F320-F333 AromaticContact CE2-CZ 3.77Å; F320-F333 HydrophobicContact CE2-CZ 3.77Å; F320-F366 AromaticContact CD2-CD1 3.85Å; F320-F366 HydrophobicContact CD2-CD1 3.85Å; F320-F366 AromaticContact CD2-CE1 3.68Å; F320-F366 HydrophobicContact CD2-CE1 3.68Å; F320-F366 HydrophobicContact CD2-CE2 4.35Å; F320-F366 HydrophobicContact CD2-CG 4.28Å; F320-F366 AromaticContact CD2-CZ 3.95Å; F320-F366 HydrophobicContact CD2-CZ 3.95Å; F320-F366 AromaticContact CE2-CD1 3.72Å; F320-F366 HydrophobicContact CE2-CD1 3.72Å; F320-F366 HydrophobicContact CE2-CE1 4.05Å; F320-F366 AromaticContact CE2-CG 4Å; F320-F366 HydrophobicContact CE2-CG 4Å; F320-L481 HydrophobicContact CB-CD2 3.91Å; F320-L481 HydrophobicContact CD1-CD2 4.37Å; F320-L481 HydrophobicContact CD2-CD1 4.23Å; F320-L481 HydrophobicContact CD2-CD2 4.13Å; F320-L481 HydrophobicContact CE2-CD1 4.19Å; F320-L481 HydrophobicContact CG-CD2 3.86Å; F320-L481 HydrophobicContact CZ-CD1 4.44Å; F320-L492 HydrophobicContact CD1-CB 4.06Å; F320-L492 HydrophobicContact CD1-CD2 4.35Å; F320-P584 HydrophobicContact CE2-CG 3.83Å; F320-P584 HydrophobicContact CZ-CG 3.59Å
321	K	97.4	Very high	97.2	Very high	114 Å²	114	57.9 Å²	57.9	50%	0.496	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-41.1	-179.1	-66.9	-169	68.8	167.6	0	113	N319 E325 V490 L492	N319-K321 VanDerWaalsContact C-N 3.31Å; N319-K321 PolarHBondContact O-N 2.68Å; N319-K321 VanDerWaalsContact O-N 3.14Å; K321-E325 WeakPolarHBondContact O-CB 3.23Å; K321-E325 PolarHBondContact O-N 3.05Å; K321-V490 HydrophobicContact CD-CG1 4.04Å; K321-L492 HydrophobicContact CD-CD2 4.19Å; K321-L492 HydrophobicContact CG-CD2 3.76Å
322	R	98.4	Very high	97.2	Very high	178 Å²	178	60.4 Å²	60.4	67%	0.672	29%	0.294	S	S	*	.	H	α-helix	trans	-72.2	-38	-179.8	-66	-170.9	176.3	-75.6	2	111.4	N319 F320 E325 F326	N319-R322 PolarHBondContact O-N 3.41Å; F320-R322 VanDerWaalsContact C-N 3.32Å; F320-R322 PolarHBondContact O-N 2.81Å; R322-E325 PolarHBondContact O-N 2.91Å; R322-F326 WeakPolarHBondContact O-CB 3.35Å; R322-F326 PolarHBondContact O-N 3.09Å
323	L	98.7	Very high	97.3	Very high	11 Å²	11	60.9 Å²	60.9	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-66.1	-44.6	175.9	-66.9	166.1	0	0	0	111.4	L188 I190 I316 N319 F320 E325 F326 N327 F333 A335	L188-L323 HydrophobicContact CB-CD2 3.97Å; L188-L323 HydrophobicContact CD1-CB 4.36Å; L188-L323 HydrophobicContact CD1-CD2 4.05Å; I190-L323 HydrophobicContact CD1-CD1 4.38Å; I190-L323 HydrophobicContact CG2-CD2 3.77Å; I316-L323 HydrophobicContact CG2-CD1 3.81Å; N319-L323 HydrophobicContact CB-CD1 4.27Å; N319-L323 HydrophobicContact CB-CG 4.47Å; N319-L323 PolarHBondContact O-N 2.99Å; N319-L323 VanDerWaalsContact O-N 3.09Å; F320-L323 PolarHBondContact O-N 2.95Å; L323-E325 VanDerWaalsContact C-N 3.35Å; L323-E325 PolarHBondContact O-N 2.81Å; L323-F326 WeakPolarHBondContact O-CB 3.36Å; L323-F326 PolarHBondContact O-N 3Å; L323-N327 PolarHBondContact O-N 2.73Å; L323-F333 HydrophobicContact CB-CE2 3.67Å; L323-F333 HydrophobicContact CB-CZ 4.08Å; L323-A335 HydrophobicContact CD1-CB 3.69Å; L323-A335 HydrophobicContact CD2-CB 4.11Å; L323-A335 HydrophobicContact CG-CB 4.46Å
324	L	98.1	Very high	97.4	Very high	17 Å²	17	61.4 Å²	61.4	9%	0.089	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-43.1	175.1	178.9	65.5	0	0	0	111.2	F320 F326 N327 Q328 G329 F333 A494	F320-L324 HydrophobicContact CE1-CB 4.46Å; F320-L324 HydrophobicContact CE1-CD2 3.89Å; F320-L324 HydrophobicContact CZ-CB 4.31Å; F320-L324 HydrophobicContact CZ-CD2 3.9Å; F320-L324 HydrophobicContact CZ-CG 4.5Å; F320-L324 VanDerWaalsContact O-CB 3.3Å; F320-L324 WeakPolarHBondContact O-CB 3.43Å; F320-L324 PolarHBondContact O-N 3.4Å; L324-F326 VanDerWaalsContact C-N 3.35Å; L324-N327 CarbonylContact O-C 3.6Å; L324-N327 VanDerWaalsContact O-C 3.29Å; L324-N327 WeakPolarHBondContact O-CA 3.5Å; L324-N327 PolarHBondContact O-N 2.87Å; L324-N327 VanDerWaalsContact O-N 3.16Å; L324-Q328 PolarHBondContact O-N 3.19Å; L324-G329 VanDerWaalsContact CD1-C 3.5Å; L324-G329 PolarHBondContact O-N 2.97Å; L324-F333 HydrophobicContact CB-CE1 4.09Å; L324-F333 HydrophobicContact CB-CZ 4.24Å; L324-F333 HydrophobicContact CD1-CD1 4.19Å; L324-F333 HydrophobicContact CD1-CE1 3.76Å; L324-A494 HydrophobicContact CD1-CB 4.19Å; L324-A494 HydrophobicContact CD2-CB 3.94Å
325	E	98.1	Very high	97.5	Very high	140 Å²	140	61 Å²	61	65%	0.654	30%	0.299	S	S	*	.	H	α-helix	trans	-60.4	-42.9	174.6	-178.3	-179.8	-172.6	0	0	111.9	K321 R322 L323 N327 Q328	K321-E325 WeakPolarHBondContact O-CB 3.23Å; K321-E325 PolarHBondContact O-N 3.05Å; R322-E325 PolarHBondContact O-N 2.91Å; L323-E325 VanDerWaalsContact C-N 3.35Å; L323-E325 PolarHBondContact O-N 2.81Å; E325-N327 PolarHBondContact O-N 3.27Å; E325-Q328 WeakPolarHBondContact O-CA 3.3Å; E325-Q328 PolarHBondContact O-N 2.98Å
326	F	98.3	Very high	97.6	Very high	160 Å²	160	60.2 Å²	60.2	70%	0.702	29%	0.291	S	S	*	.	H	α-helix	trans	-59.8	-36.3	175	-170.1	-88.9	0	0	0	111.8	L188 R322 L323 L324 Q328	L188-F326 HydrophobicContact CD1-CB 4.36Å; L188-F326 HydrophobicContact CD1-CD1 3.82Å; L188-F326 HydrophobicContact CD1-CG 4.46Å; L188-F326 HydrophobicContact CD2-CD1 3.46Å; L188-F326 VanDerWaalsContact CD2-CD1 3.46Å; L188-F326 HydrophobicContact CD2-CE1 3.48Å; L188-F326 VanDerWaalsContact CD2-CE1 3.48Å; L188-F326 HydrophobicContact CG-CD1 4.28Å; R322-F326 WeakPolarHBondContact O-CB 3.35Å; R322-F326 PolarHBondContact O-N 3.09Å; L323-F326 WeakPolarHBondContact O-CB 3.36Å; L323-F326 PolarHBondContact O-N 3Å; L324-F326 VanDerWaalsContact C-N 3.35Å; F326-Q328 PolarHBondContact O-N 3.14Å
327	N	97.9	Very high	97.6	Very high	54 Å²	54	60.2 Å²	60.2	29%	0.289	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	22	171.9	-157.2	58.1	0	0	0	113.9	L323 L324 E325 G329 K330 F333	L323-N327 PolarHBondContact O-N 2.73Å; L324-N327 CarbonylContact O-C 3.6Å; L324-N327 VanDerWaalsContact O-C 3.29Å; L324-N327 WeakPolarHBondContact O-CA 3.5Å; L324-N327 PolarHBondContact O-N 2.87Å; L324-N327 VanDerWaalsContact O-N 3.16Å; E325-N327 PolarHBondContact O-N 3.27Å; N327-G329 PolarHBondContact O-N 3.03Å; N327-K330 PolarHBondContact ND2-O 2.91Å; N327-K330 PolarHBondContact O-N 3.43Å; N327-K330 VanDerWaalsContact O-N 3.15Å; N327-F333 HydrophobicContact CB-CB 4.05Å; N327-F333 HydrophobicContact CB-CD1 4.48Å; N327-F333 HydrophobicContact CB-CG 4.18Å; N327-F333 WeakPolarHBondContact ND2-CB 3.47Å
328	Q	97.2	Very high	97.7	Very high	154 Å²	154	61.2 Å²	61.2	72%	0.72	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	31.9	175.8	-53.3	176.4	2	0	0	114.2	L324 E325 F326 K330	L324-Q328 PolarHBondContact O-N 3.19Å; E325-Q328 WeakPolarHBondContact O-CA 3.3Å; E325-Q328 PolarHBondContact O-N 2.98Å; F326-Q328 PolarHBondContact O-N 3.14Å; Q328-K330 VanDerWaalsContact C-N 3.28Å; Q328-K330 PolarHBondContact O-N 3.09Å
329	G	94.8	Very high	97.8	Very high	28 Å²	28	57.8 Å²	57.8	29%	0.289	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	3.4	178.5	0	0	0	0	0	115.2	L324 N327	L324-G329 VanDerWaalsContact CD1-C 3.5Å; L324-G329 PolarHBondContact O-N 2.97Å; N327-G329 PolarHBondContact O-N 3.03Å
330	K	94.4	Very high	97.8	Very high	131 Å²	131	56.8 Å²	56.8	57%	0.57	28%	0.275	S	S	*	.			trans	-98	144.9	-170.8	-65	179.2	-177.4	171.7	0	113	N327 Q328	N327-K330 PolarHBondContact ND2-O 2.91Å; N327-K330 PolarHBondContact O-N 3.43Å; N327-K330 VanDerWaalsContact O-N 3.15Å; Q328-K330 VanDerWaalsContact C-N 3.28Å; Q328-K330 PolarHBondContact O-N 3.09Å
331	L	95.7	Very high	97.8	Very high	44 Å²	44	56.8 Å²	56.8	23%	0.23	28%	0.275	C	S	.	.	S	Bend	trans	-105.5	154.8	165.1	-67.2	174.3	0	0	0	110.2	F333 F366 D368 A494 V582 P584	L331-F333 HydrophobicContact CD2-CD1 3.89Å; L331-F333 HydrophobicContact CD2-CE1 3.97Å; L331-F366 HydrophobicContact CD2-CB 3.88Å; L331-D368 HydrophobicContact CD1-CB 4.45Å; L331-A494 HydrophobicContact CD1-CB 3.73Å; L331-A494 HydrophobicContact CG-CB 3.92Å; L331-V582 HydrophobicContact CD1-CG1 4.25Å; L331-P584 HydrophobicContact CD1-CB 4.15Å; L331-P584 HydrophobicContact CD1-CG 4.03Å; L331-P584 HydrophobicContact CD2-CB 4.18Å; L331-P584 HydrophobicContact CD2-CG 4.1Å
332	P	96.9	Very high	97.8	Very high	69 Å²	69	52.2 Å²	52.2	45%	0.448	26%	0.256	S	S	.	.	S	Bend	cis	-76.1	160	-9.6	32.6	-34.7	0	0	0	112.4	F366 V367	P332-F366 CarbonylContact C-O 3.53Å; P332-F366 WeakPolarHBondContact CA-O 3.5Å; P332-F366 VanDerWaalsContact CB-O 3.27Å; P332-F366 WeakPolarHBondContact CB-O 3.38Å; P332-V367 HydrophobicContact CB-CB 4.23Å; P332-V367 HydrophobicContact CB-CG2 4.2Å
333	F	98.3	Very high	97.6	Very high	11 Å²	11	47 Å²	47	5%	0.048	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.2	164	76.5	-85.6	0	0	0	109.8	L188 F320 L323 L324 N327 L331 F366	L188-F333 HydrophobicContact CD1-CD2 4.08Å; F320-F333 AromaticContact CD2-CZ 3.97Å; F320-F333 HydrophobicContact CD2-CZ 3.97Å; F320-F333 AromaticContact CE2-CE1 3.87Å; F320-F333 HydrophobicContact CE2-CE1 3.87Å; F320-F333 AromaticContact CE2-CZ 3.77Å; F320-F333 HydrophobicContact CE2-CZ 3.77Å; L323-F333 HydrophobicContact CB-CE2 3.67Å; L323-F333 HydrophobicContact CB-CZ 4.08Å; L324-F333 HydrophobicContact CB-CE1 4.09Å; L324-F333 HydrophobicContact CB-CZ 4.24Å; L324-F333 HydrophobicContact CD1-CD1 4.19Å; L324-F333 HydrophobicContact CD1-CE1 3.76Å; N327-F333 HydrophobicContact CB-CB 4.05Å; N327-F333 HydrophobicContact CB-CD1 4.48Å; N327-F333 HydrophobicContact CB-CG 4.18Å; N327-F333 WeakPolarHBondContact ND2-CB 3.47Å; L331-F333 HydrophobicContact CD2-CD1 3.89Å; L331-F333 HydrophobicContact CD2-CE1 3.97Å; F333-F366 HydrophobicContact CD1-CB 4.2Å; F333-F366 HydrophobicContact CD2-CD2 4.09Å; F333-F366 HydrophobicContact CE1-CB 3.9Å; F333-F366 AromaticContact CE1-CD2 3.99Å; F333-F366 HydrophobicContact CE1-CD2 3.99Å; F333-F366 HydrophobicContact CE1-CG 4.1Å; F333-F366 AromaticContact CE2-CD2 3.46Å; F333-F366 HydrophobicContact CE2-CD2 3.46Å; F333-F366 VanDerWaalsContact CE2-CD2 3.46Å; F333-F366 AromaticContact CE2-CE2 3.89Å; F333-F366 HydrophobicContact CE2-CE2 3.89Å; F333-F366 HydrophobicContact CE2-CG 4.36Å; F333-F366 HydrophobicContact CZ-CB 4.21Å; F333-F366 AromaticContact CZ-CD2 3.41Å; F333-F366 HydrophobicContact CZ-CD2 3.41Å; F333-F366 VanDerWaalsContact CZ-CD2 3.41Å; F333-F366 AromaticContact CZ-CE2 3.96Å; F333-F366 HydrophobicContact CZ-CE2 3.96Å; F333-F366 AromaticContact CZ-CG 3.9Å; F333-F366 HydrophobicContact CZ-CG 3.9Å; F333-F366 PolarHBondContact N-O 2.97Å; F333-F366 PolarHBondContact O-N 3.38Å
334	A	98.6	Very high	97.3	Very high	11 Å²	11	47.9 Å²	47.9	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	147.2	174.5	0	0	0	0	0	111	I187 L188 I363 E364 H365	I187-A334 HydrophobicContact CB-CB 4.39Å; I187-A334 HydrophobicContact CD1-CB 4.36Å; I187-A334 HydrophobicContact CG1-CB 4.06Å; I187-A334 HydrophobicContact CG2-CB 3.82Å; I187-A334 WeakPolarHBondContact CG2-O 3.2Å; L188-A334 PolarHBondContact N-O 3.25Å; A334-I363 HydrophobicContact CB-CG2 4.14Å; A334-E364 VanDerWaalsContact CA-O 3.28Å; A334-E364 WeakPolarHBondContact CA-O 3.38Å; A334-H365 HydrophobicContact CB-CB 4.28Å
335	A	98.8	Very high	96.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	152.8	165.5	0	0	0	0	0	109.7	L188 I316 L323 I363 E364 F366	L188-A335 HydrophobicContact CB-CB 4.34Å; L188-A335 CarbonylContact O-C 3.56Å; L188-A335 VanDerWaalsContact O-CA 3.25Å; L188-A335 WeakPolarHBondContact O-CA 3.44Å; I316-A335 HydrophobicContact CG2-CB 3.55Å; L323-A335 HydrophobicContact CD1-CB 3.69Å; L323-A335 HydrophobicContact CD2-CB 4.11Å; L323-A335 HydrophobicContact CG-CB 4.46Å; A335-I363 CarbonylContact O-C 3.47Å; A335-I363 WeakPolarHBondContact O-CA 3.38Å; A335-E364 PolarHBondContact N-O 3.43Å; A335-E364 PolarHBondContact O-N 3.28Å; A335-F366 HydrophobicContact CB-CE2 4.47Å
336	A	98.8	Very high	95.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	156.5	-179.8	0	0	0	0	0	111.5	W177 I182 I187 L188 E189 I190 E362 I363	W177-A336 HydrophobicContact CH2-CB 4.01Å; W177-A336 HydrophobicContact CZ3-CB 4.4Å; I182-A336 HydrophobicContact CG1-CB 4.46Å; I187-A336 HydrophobicContact CG2-CB 3.51Å; L188-A336 PolarHBondContact O-N 3.27Å; E189-A336 WeakPolarHBondContact CA-O 3.3Å; I190-A336 PolarHBondContact N-O 3.01Å; A336-E362 CarbonylContact C-O 3.58Å; A336-E362 WeakPolarHBondContact CA-O 3.39Å; A336-E362 WeakPolarHBondContact CB-O 3.33Å; A336-I363 HydrophobicContact CB-CG1 4.12Å
337	Q	98.8	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136	173.8	-174.2	167.4	-41.5	0	0	110.4	I190 C192 I316 A361 E362	I190-Q337 WeakPolarHBondContact O-CG 3.42Å; C192-Q337 PolarHBondContact SG-OE1 2.95Å; I316-Q337 HydrophobicContact CD1-CB 3.98Å; I316-Q337 HydrophobicContact CG1-CB 4.33Å; Q337-A361 WeakPolarHBondContact O-CA 3.38Å; Q337-E362 PolarHBondContact N-O 2.74Å; Q337-E362 PolarHBondContact O-N 3.33Å
338	I	98.9	Very high	94.3	Very high	21 Å²	21	34.1 Å²	34.1	11%	0.108	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.8	172.4	-63.4	165.2	0	0	0	107.5	L174 W177 R178 I182 T359 M360 A361	L174-I338 HydrophobicContact CD1-CG2 4.26Å; L174-I338 HydrophobicContact CD2-CD1 4.48Å; L174-I338 HydrophobicContact CD2-CG2 3.7Å; W177-I338 HydrophobicContact CE3-CD1 3.7Å; W177-I338 HydrophobicContact CE3-CG1 4.15Å; W177-I338 HydrophobicContact CZ3-CD1 3.75Å; W177-I338 HydrophobicContact CZ3-CG1 3.85Å; R178-I338 HydrophobicContact CG-CD1 3.79Å; R178-I338 VanDerWaalsContact CZ-CD1 3.42Å; I182-I338 HydrophobicContact CD1-CD1 4.4Å; I338-T359 HydrophobicContact CG2-CG2 4.15Å; I338-M360 WeakPolarHBondContact CA-O 3.47Å; I338-A361 HydrophobicContact CG1-CB 3.81Å
339	G	98.6	Very high	93.2	Very high	11 Å²	11	33.9 Å²	33.9	11%	0.113	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	176.4	178.8	0	0	0	0	0	113.4	T359 M360	G339-T359 WeakPolarHBondContact O-CA 3.19Å; G339-M360 PolarHBondContact N-O 3.42Å; G339-M360 PolarHBondContact O-N 3.44Å
340	N	98.7	Very high	92.7	Very high	38 Å²	38	34.2 Å²	34.2	20%	0.203	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	146.7	178.4	-63.7	-6	0	0	0	111.2	M194 R309 F342 E357 F358 T359	M194-N340 HydrophobicContact CE-CB 3.96Å; M194-N340 HydrophobicContact SD-CB 4.45Å; R309-N340 PolarHBondContact NE-O 3.5Å; R309-N340 PolarHBondContact NH2-O 2.7Å; N340-F342 HydrophobicContact CB-CE2 4.23Å; N340-F342 HydrophobicContact CB-CZ 4.2Å; N340-E357 HydrophobicContact CB-CG 4.35Å; N340-E357 PolarHBondContact ND2-OE1 2.76Å; N340-F358 CarbonylContact C-O 3.51Å; N340-F358 VanDerWaalsContact CA-O 3.29Å; N340-F358 WeakPolarHBondContact CA-O 3.43Å; N340-T359 PolarHBondContact OD1-OG1 3.41Å
341	S	98	Very high	92.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.9	171.4	-64.3	0	0	0	0	108.9	E311 F358 M360	E311-S341 WeakPolarHBondContact CA-OG 3.48Å; S341-F358 PolarHBondContact N-O 3.12Å; S341-F358 PolarHBondContact O-N 3.37Å; S341-F358 VanDerWaalsContact O-N 3.09Å; S341-M360 WeakPolarHBondContact CB-SD 3.45Å; S341-M360 PolarHBondContact OG-SD 2.92Å
342	F	97.9	Very high	92.4	Very high	19 Å²	19	26.7 Å²	26.7	8%	0.083	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129	-168.4	-56.1	-98.7	0	0	0	111.1	M194 F294 L308 R309 P310 N340 R356 E357	M194-F342 HydrophobicContact CB-CE2 4.05Å; M194-F342 HydrophobicContact CG-CE2 4.03Å; M194-F342 HydrophobicContact SD-CE2 3.66Å; M194-F342 HydrophobicContact SD-CZ 3.72Å; F294-F342 HydrophobicContact CD2-CB 3.8Å; F294-F342 HydrophobicContact CE2-CB 4.3Å; L308-F342 HydrophobicContact CB-CB 3.83Å; L308-F342 HydrophobicContact CB-CD1 4.46Å; L308-F342 HydrophobicContact CB-CD2 3.6Å; L308-F342 HydrophobicContact CB-CE2 4.27Å; L308-F342 HydrophobicContact CB-CG 3.71Å; L308-F342 HydrophobicContact CD1-CB 4.34Å; L308-F342 HydrophobicContact CD1-CD1 3.69Å; L308-F342 HydrophobicContact CD1-CD2 4.18Å; L308-F342 HydrophobicContact CD1-CE1 3.94Å; L308-F342 HydrophobicContact CD1-CE2 4.42Å; L308-F342 HydrophobicContact CD1-CG 3.81Å; L308-F342 HydrophobicContact CD1-CZ 4.3Å; L308-F342 HydrophobicContact CG-CD2 4.38Å; L308-F342 HydrophobicContact CG-CG 4.38Å; R309-F342 PolarHBondContact O-N 2.89Å; P310-F342 WeakPolarHBondContact CA-O 3.36Å; N340-F342 HydrophobicContact CB-CE2 4.23Å; N340-F342 HydrophobicContact CB-CZ 4.2Å; F342-R356 CarbonylContact C-O 3.59Å; F342-R356 VanDerWaalsContact CA-O 3.26Å; F342-R356 WeakPolarHBondContact CA-O 3.33Å; F342-E357 HydrophobicContact CD1-CB 3.94Å; F342-E357 HydrophobicContact CD1-CG 3.9Å; F342-E357 HydrophobicContact CE1-CB 4.02Å; F342-E357 VanDerWaalsContact CE1-CD 3.41Å; F342-E357 HydrophobicContact CE1-CG 3.53Å; F342-E357 HydrophobicContact CZ-CG 4.16Å
343	R	94.3	Very high	92.2	Very high	69 Å²	69	24.2 Å²	24.2	26%	0.26	12%	0.123	S	C	.	.			trans	-133	116.7	175.2	-62.9	-174.4	-175.5	179	3.2	108.4	L292 P310 E345 R356 F358	L292-R343 CarbonylContact O-C 3.55Å; P310-R343 PolarHBondContact O-NE 2.97Å; R343-E345 HydrophobicContact CB-CG 4.32Å; R343-E345 PolarHBondContact O-N 2.91Å; R343-R356 PolarHBondContact N-O 3.13Å; R343-R356 WeakPolarHBondContact O-CA 3.45Å; R343-R356 WeakPolarHBondContact O-CB 3.3Å; R343-R356 WeakPolarHBondContact O-CG 3.44Å; R343-F358 HydrophobicContact CB-CE1 4.35Å; R343-F358 HydrophobicContact CG-CE1 3.98Å; R343-F358 HydrophobicContact CG-CZ 4.19Å
344	N	92.7	Very high	91.9	Very high	29 Å²	29	26.8 Å²	26.8	16%	0.155	13%	0.133	C	C	.	.			trans	-74.5	63.5	179.7	-163.4	8.9	0	0	0	110.9	F290 L292 F294 I346	F290-N344 HydrophobicContact CE1-CB 4.38Å; F290-N344 WeakPolarHBondContact CE1-O 3.35Å; F290-N344 VanDerWaalsContact CZ-ND2 3.31Å; F290-N344 WeakPolarHBondContact CZ-ND2 3.23Å; L292-N344 WeakPolarHBondContact CD2-O 3.36Å; L292-N344 WeakPolarHBondContact O-CB 3.14Å; L292-N344 PolarHBondContact O-N 3.32Å; F294-N344 HydrophobicContact CD1-CB 4.31Å; F294-N344 HydrophobicContact CD2-CB 3.91Å; F294-N344 HydrophobicContact CE1-CB 4.1Å; F294-N344 HydrophobicContact CE2-CB 3.72Å; F294-N344 HydrophobicContact CG-CB 4.23Å; F294-N344 HydrophobicContact CZ-CB 3.81Å; F294-N344 WeakPolarHBondContact CZ-OD1 3.49Å; N344-I346 PolarHBondContact O-N 3.11Å
345	E	87.2	Confident	91.8	Very high	22 Å²	22	27 Å²	27	10%	0.103	13%	0.133	C	C	.	.			trans	-56.5	130.5	-179.1	-71.9	-68.6	172.2	0	0	111	R343 P348 R354 R356	R343-E345 HydrophobicContact CB-CG 4.32Å; R343-E345 PolarHBondContact O-N 2.91Å; E345-P348 HydrophobicContact CB-CB 4.48Å; E345-R354 HydrophobicContact CG-CG 4.14Å; E345-R354 IonicContact OE1-NE 3.81Å; E345-R354 IonicContact OE1-NH2 2.62Å; E345-R354 IonicContact OE2-CZ 2.6Å; E345-R354 IonicContact OE2-NE 2.81Å; E345-R354 PolarHBondContact OE2-NE 3.49Å; E345-R354 IonicContact OE2-NH2 3.2Å; E345-R354 PolarHBondContact OE2-NH2 2.87Å; E345-R356 HydrophobicContact CB-CG 4.18Å; E345-R356 PolarHBondContact O-NE 2.87Å; E345-R356 PolarHBondContact O-NH2 2.74Å
346	I	80.3	Confident	91.6	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.046	14%	0.143	C	C	.	.	S	Bend	trans	-64.6	-44.4	-174.3	-67.9	162.1	0	0	0	111.2	D212 M214 C223 R225 F290 L292 N344	D212-I346 HydrophobicContact CB-CD1 3.4Å; M214-I346 HydrophobicContact CB-CD1 3.98Å; M214-I346 HydrophobicContact CB-CG1 4.44Å; M214-I346 HydrophobicContact CB-CG2 4.35Å; M214-I346 HydrophobicContact CG-CG2 3.8Å; M214-I346 HydrophobicContact SD-CG1 4.49Å; M214-I346 HydrophobicContact SD-CG2 4.07Å; C223-I346 HydrophobicContact CB-CG2 4.41Å; R225-I346 HydrophobicContact CB-CB 4.29Å; R225-I346 HydrophobicContact CB-CD1 4.31Å; R225-I346 HydrophobicContact CB-CG2 4.21Å; R225-I346 HydrophobicContact CG-CD1 3.79Å; R225-I346 VanDerWaalsContact N-CG2 3.33Å; F290-I346 HydrophobicContact CB-CD1 4.48Å; F290-I346 HydrophobicContact CD1-CD1 4.08Å; F290-I346 HydrophobicContact CD1-CG1 3.62Å; F290-I346 HydrophobicContact CE1-CG1 4.03Å; F290-I346 HydrophobicContact CG-CG1 4.43Å; L292-I346 HydrophobicContact CD2-CD1 4.27Å; L292-I346 HydrophobicContact CD2-CG1 4.16Å; N344-I346 PolarHBondContact O-N 3.11Å
347	S	78.6	Confident	91.6	Very high	36 Å²	36	33.6 Å²	33.6	25%	0.252	16%	0.161	S	C	.	.			trans	-144.2	82.2	-179.8	-156	0	0	0	0	111.9	R349	S347-R349 PolarHBondContact O-N 2.99Å; S347-R349 PolarHBondContact OG-NE 3.39Å; S347-R349 PolarHBondContact OG-NH2 3.22Å
348	P	82.2	Confident	91.6	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.091	17%	0.169	C	C	.	.			trans	-72.7	116.1	177.4	27.8	-31.7	0	0	0	110.7	S157 E345 R354	S157-P348 WeakPolarHBondContact O-CG 3.18Å; E345-P348 HydrophobicContact CB-CB 4.48Å; P348-R354 WeakPolarHBondContact CB-O 3.46Å
349	R	75.8	Confident	91.6	Very high	150 Å²	150	35 Å²	35	57%	0.566	17%	0.167	S	C	*	.			trans	-129.3	-1.6	-173.2	-64.3	-176.8	-175.8	-154.5	-7.9	115.6	E222 F224 S347	E222-R349 IonicContact OE1-NH2 2.73Å; F224-R349 VanDerWaalsContact CE1-NH2 3.29Å; S347-R349 PolarHBondContact O-N 2.99Å; S347-R349 PolarHBondContact OG-NE 3.39Å; S347-R349 PolarHBondContact OG-NH2 3.22Å
350	S	83.8	Confident	91.6	Very high	35 Å²	35	34.7 Å²	34.7	25%	0.245	16%	0.164	C	C	.	.	S	Bend	trans	-115.4	41.8	-169.8	-54.1	0	0	0	0	113.3	L352 I353	S350-L352 PolarHBondContact O-N 3.46Å; S350-I353 VanDerWaalsContact O-CB 3.28Å; S350-I353 WeakPolarHBondContact O-CB 3.34Å; S350-I353 PolarHBondContact O-N 3.21Å
351	G	90.4	Very high	91.6	Very high	10 Å²	10	32.9 Å²	32.9	10%	0.103	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	56.1	-131.5	-178.7	0	0	0	0	0	112.3	Y160 I353 V355	Y160-G351 WeakPolarHBondContact CE2-O 3.16Å; G351-I353 PolarHBondContact O-N 3.25Å; G351-V355 VanDerWaalsContact O-CG1 3.31Å; G351-V355 WeakPolarHBondContact O-CG1 3.37Å
352	L	93.4	Very high	91.6	Very high	7 Å²	7	33 Å²	33	4%	0.037	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-71.5	-9.1	178.3	-64.4	-177.2	0	0	0	114.5	Y146 Y160 F162 S350 M597 Y598 F601	Y146-L352 HydrophobicContact CD1-CD1 3.73Å; Y146-L352 HydrophobicContact CD1-CG 4.35Å; Y146-L352 HydrophobicContact CD2-CD2 4.21Å; Y146-L352 HydrophobicContact CD2-CG 4.36Å; Y146-L352 HydrophobicContact CE1-CD1 3.63Å; Y146-L352 HydrophobicContact CE1-CG 4.08Å; Y146-L352 HydrophobicContact CE2-CD1 4.49Å; Y146-L352 HydrophobicContact CE2-CD2 4.35Å; Y146-L352 HydrophobicContact CE2-CG 4.11Å; Y146-L352 HydrophobicContact CG-CD1 4.2Å; Y146-L352 HydrophobicContact CG-CD2 4.41Å; Y146-L352 HydrophobicContact CG-CG 4.48Å; Y160-L352 HydrophobicContact CD2-CD2 3.82Å; Y160-L352 HydrophobicContact CE2-CD2 4.49Å; Y160-L352 HydrophobicContact CG-CD2 3.89Å; F162-L352 HydrophobicContact CE1-CD1 3.97Å; F162-L352 HydrophobicContact CE1-CD2 4.4Å; F162-L352 HydrophobicContact CZ-CD1 4.1Å; F162-L352 HydrophobicContact CZ-CD2 3.95Å; S350-L352 PolarHBondContact O-N 3.46Å; L352-M597 HydrophobicContact CD1-CE 4.37Å; L352-Y598 HydrophobicContact CB-CD2 4.27Å; L352-F601 HydrophobicContact CD1-CE2 4.33Å
353	I	92.6	Very high	91.7	Very high	17 Å²	17	32.1 Å²	32.1	9%	0.087	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-72.2	-35.3	-177	-59.8	170.4	0	0	0	111.5	S350 G351 Y465 I468 R595 Y598	S350-I353 VanDerWaalsContact O-CB 3.28Å; S350-I353 WeakPolarHBondContact O-CB 3.34Å; S350-I353 PolarHBondContact O-N 3.21Å; G351-I353 PolarHBondContact O-N 3.25Å; I353-Y465 HydrophobicContact CD1-CD1 4.48Å; I353-Y465 HydrophobicContact CD1-CD2 3.26Å; I353-Y465 HydrophobicContact CD1-CE2 3.74Å; I353-Y465 HydrophobicContact CD1-CG 3.69Å; I353-I468 HydrophobicContact CD1-CD1 3.9Å; I353-I468 HydrophobicContact CG1-CD1 3.94Å; I353-I468 HydrophobicContact CG2-CD1 4.16Å; I353-I468 HydrophobicContact CG2-CG2 4.36Å; I353-R595 PolarHBondContact O-NE 2.8Å; I353-Y598 HydrophobicContact CD1-CD1 3.92Å; I353-Y598 HydrophobicContact CD1-CE1 3.81Å; I353-Y598 HydrophobicContact CG1-CD1 3.86Å; I353-Y598 HydrophobicContact CG1-CE1 4.2Å; I353-Y598 HydrophobicContact CG1-CG 4.34Å
354	R	92.2	Very high	91.8	Very high	64 Å²	64	28.8 Å²	28.8	24%	0.242	14%	0.138	C	C	.	.	S	Bend	trans	-136.1	95.8	-178.4	-165.9	167.1	-174.6	155.6	0.7	110	H228 E345 P348	H228-R354 PolarHBondContact CE1-NH1 2.75Å; E345-R354 HydrophobicContact CG-CG 4.14Å; E345-R354 IonicContact OE1-NE 3.81Å; E345-R354 IonicContact OE1-NH2 2.62Å; E345-R354 IonicContact OE2-CZ 2.6Å; E345-R354 IonicContact OE2-NE 2.81Å; E345-R354 PolarHBondContact OE2-NE 3.49Å; E345-R354 IonicContact OE2-NH2 3.2Å; E345-R354 PolarHBondContact OE2-NH2 2.87Å; P348-R354 WeakPolarHBondContact CB-O 3.46Å
355	V	95	Very high	92.1	Very high	16 Å²	16	28.1 Å²	28.1	10%	0.097	13%	0.134	C	C	.	.			trans	-124.4	165	-174.4	-64.7	0	0	0	0	110.6	G158 Y160 G351 E357 F358	G158-V355 CarbonylContact O-C 3.59Å; G158-V355 WeakPolarHBondContact O-CA 3.43Å; G158-V355 VanDerWaalsContact O-CB 3.32Å; G158-V355 WeakPolarHBondContact O-CB 3.43Å; Y160-V355 HydrophobicContact CD2-CG1 3.7Å; Y160-V355 HydrophobicContact CE2-CG1 3.77Å; G351-V355 VanDerWaalsContact O-CG1 3.31Å; G351-V355 WeakPolarHBondContact O-CG1 3.37Å; V355-E357 WeakPolarHBondContact CG2-O 2.92Å; V355-F358 HydrophobicContact CG2-CB 3.61Å; V355-F358 HydrophobicContact CG2-CD1 3.84Å; V355-F358 HydrophobicContact CG2-CG 4.05Å
356	R	96.6	Very high	92.6	Very high	55 Å²	55	27 Å²	27	21%	0.208	13%	0.129	C	C	.	.	S	Bend	trans	-91.5	-24.6	-178.5	-72.9	173.2	168.9	171.6	-3.5	114.1	G158 L159 F294 F342 R343 E345	G158-R356 PolarHBondContact O-N 3.26Å; L159-R356 HydrophobicContact CD2-CB 3.93Å; F294-R356 HydrophobicContact CE2-CB 4.16Å; F294-R356 HydrophobicContact CZ-CB 4.1Å; F294-R356 HydrophobicContact CZ-CG 4.37Å; F342-R356 CarbonylContact C-O 3.59Å; F342-R356 VanDerWaalsContact CA-O 3.26Å; F342-R356 WeakPolarHBondContact CA-O 3.33Å; R343-R356 PolarHBondContact N-O 3.13Å; R343-R356 WeakPolarHBondContact O-CA 3.45Å; R343-R356 WeakPolarHBondContact O-CB 3.3Å; R343-R356 WeakPolarHBondContact O-CG 3.44Å; E345-R356 HydrophobicContact CB-CG 4.18Å; E345-R356 PolarHBondContact O-NE 2.87Å; E345-R356 PolarHBondContact O-NH2 2.74Å
357	E	98.5	Very high	93.4	Very high	84 Å²	84	26.8 Å²	26.8	39%	0.393	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.1	173.7	177.9	177.8	171.3	0	0	108.1	L159 N340 F342 V355	L159-E357 HydrophobicContact CD2-CB 3.97Å; N340-E357 HydrophobicContact CB-CG 4.35Å; N340-E357 PolarHBondContact ND2-OE1 2.76Å; F342-E357 HydrophobicContact CD1-CB 3.94Å; F342-E357 HydrophobicContact CD1-CG 3.9Å; F342-E357 HydrophobicContact CE1-CB 4.02Å; F342-E357 VanDerWaalsContact CE1-CD 3.41Å; F342-E357 HydrophobicContact CE1-CG 3.53Å; F342-E357 HydrophobicContact CZ-CG 4.16Å; V355-E357 WeakPolarHBondContact CG2-O 2.92Å
358	F	98.4	Very high	94.1	Very high	38 Å²	38	25.4 Å²	25.4	17%	0.167	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	151.3	178.6	51.9	-76.5	0	0	0	111.4	N340 S341 R343 V355 M360	N340-F358 CarbonylContact C-O 3.51Å; N340-F358 VanDerWaalsContact CA-O 3.29Å; N340-F358 WeakPolarHBondContact CA-O 3.43Å; S341-F358 PolarHBondContact N-O 3.12Å; S341-F358 PolarHBondContact O-N 3.37Å; S341-F358 VanDerWaalsContact O-N 3.09Å; R343-F358 HydrophobicContact CB-CE1 4.35Å; R343-F358 HydrophobicContact CG-CE1 3.98Å; R343-F358 HydrophobicContact CG-CZ 4.19Å; V355-F358 HydrophobicContact CG2-CB 3.61Å; V355-F358 HydrophobicContact CG2-CD1 3.84Å; V355-F358 HydrophobicContact CG2-CG 4.05Å; F358-M360 HydrophobicContact CD2-CG 3.58Å; F358-M360 HydrophobicContact CD2-SD 4.18Å; F358-M360 HydrophobicContact CE2-CE 4.36Å; F358-M360 HydrophobicContact CE2-CG 3.45Å; F358-M360 VanDerWaalsContact CE2-CG 3.45Å; F358-M360 HydrophobicContact CE2-SD 3.43Å; F358-M360 WeakPolarHBondContact CE2-SD 3.26Å; F358-M360 HydrophobicContact CZ-SD 4.11Å
359	T	98.8	Very high	94.5	Very high	11 Å²	11	27.2 Å²	27.2	7%	0.067	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.3	173.3	-52.9	0	0	0	0	109.8	K170 I338 G339 N340 I593	K170-T359 VanDerWaalsContact CE-OG1 3.23Å; K170-T359 WeakPolarHBondContact CE-OG1 3.33Å; K170-T359 PolarHBondContact NZ-OG1 3.43Å; I338-T359 HydrophobicContact CG2-CG2 4.15Å; G339-T359 WeakPolarHBondContact O-CA 3.19Å; N340-T359 PolarHBondContact OD1-OG1 3.41Å; T359-I593 HydrophobicContact CG2-CG1 4.33Å; T359-I593 WeakPolarHBondContact O-CB 3.45Å; T359-I593 WeakPolarHBondContact O-CG1 3.43Å; T359-I593 PolarHBondContact O-N 3.46Å
360	M	98.1	Very high	95.2	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.03	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	152.4	171.1	-59.5	-179.9	70.8	0	0	109.3	T312 I338 G339 S341 F358 E362 S590 F591	T312-M360 HydrophobicContact CG2-CB 4.46Å; I338-M360 WeakPolarHBondContact CA-O 3.47Å; G339-M360 PolarHBondContact N-O 3.42Å; G339-M360 PolarHBondContact O-N 3.44Å; S341-M360 WeakPolarHBondContact CB-SD 3.45Å; S341-M360 PolarHBondContact OG-SD 2.92Å; F358-M360 HydrophobicContact CD2-CG 3.58Å; F358-M360 HydrophobicContact CD2-SD 4.18Å; F358-M360 HydrophobicContact CE2-CE 4.36Å; F358-M360 HydrophobicContact CE2-CG 3.45Å; F358-M360 VanDerWaalsContact CE2-CG 3.45Å; F358-M360 HydrophobicContact CE2-SD 3.43Å; F358-M360 WeakPolarHBondContact CE2-SD 3.26Å; F358-M360 HydrophobicContact CZ-SD 4.11Å; M360-E362 HydrophobicContact CB-CG 4.27Å; M360-E362 HydrophobicContact CE-CG 4.09Å; M360-E362 WeakPolarHBondContact CE-OE1 3.38Å; M360-S590 WeakPolarHBondContact CE-OG 3.13Å; M360-F591 WeakPolarHBondContact CA-O 3.44Å
361	A	98.8	Very high	95.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.5	161.1	0	0	0	0	0	106.3	W177 Q337 I338 F591 I593	W177-A361 HydrophobicContact CD2-CB 3.87Å; W177-A361 HydrophobicContact CE3-CB 4.15Å; W177-A361 HydrophobicContact CH2-CB 3.82Å; W177-A361 HydrophobicContact CZ2-CB 3.53Å; W177-A361 HydrophobicContact CZ3-CB 4.11Å; Q337-A361 WeakPolarHBondContact O-CA 3.38Å; I338-A361 HydrophobicContact CG1-CB 3.81Å; A361-F591 HydrophobicContact CB-CB 4.26Å; A361-F591 PolarHBondContact N-O 2.86Å; A361-F591 VanDerWaalsContact N-O 3.12Å; A361-F591 WeakPolarHBondContact O-CB 3.4Å; A361-F591 VanDerWaalsContact O-CD2 3.22Å; A361-F591 WeakPolarHBondContact O-CD2 3.34Å; A361-F591 PolarHBondContact O-N 3.1Å; A361-I593 HydrophobicContact CB-CD1 4.13Å
362	E	98.6	Very high	95.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.4	-178.1	-59.2	-172.3	126.8	0	0	109.8	T312 A313 A336 Q337 M360 P589 S590	T312-E362 WeakPolarHBondContact CA-OE2 3.44Å; T312-E362 VanDerWaalsContact CB-OE2 3.31Å; T312-E362 WeakPolarHBondContact CB-OE2 3.44Å; T312-E362 PolarHBondContact N-OE2 2.94Å; T312-E362 WeakPolarHBondContact OG1-CB 3.41Å; T312-E362 WeakPolarHBondContact OG1-CG 3.35Å; T312-E362 PolarHBondContact OG1-OE2 3.18Å; A313-E362 PolarHBondContact N-OE2 2.99Å; A336-E362 CarbonylContact C-O 3.58Å; A336-E362 WeakPolarHBondContact CA-O 3.39Å; A336-E362 WeakPolarHBondContact CB-O 3.33Å; Q337-E362 PolarHBondContact N-O 2.74Å; Q337-E362 PolarHBondContact O-N 3.33Å; M360-E362 HydrophobicContact CB-CG 4.27Å; M360-E362 HydrophobicContact CE-CG 4.09Å; M360-E362 WeakPolarHBondContact CE-OE1 3.38Å; E362-P589 WeakPolarHBondContact CA-O 3.48Å; E362-S590 WeakPolarHBondContact CG-OG 3.4Å; E362-S590 WeakPolarHBondContact OE1-CB 3.39Å; E362-S590 PolarHBondContact OE1-OG 2.74Å
363	I	98.8	Very high	95.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.6	176.9	-60.1	168.6	0	0	0	107.1	W177 F181 I187 A334 A335 A336 E588 P589 F591	W177-I363 HydrophobicContact CH2-CD1 3.97Å; W177-I363 HydrophobicContact CH2-CG1 3.6Å; W177-I363 HydrophobicContact CZ2-CD1 3.63Å; W177-I363 HydrophobicContact CZ2-CG1 3.59Å; F181-I363 HydrophobicContact CB-CD1 3.74Å; F181-I363 HydrophobicContact CD1-CD1 3.78Å; F181-I363 HydrophobicContact CG-CD1 3.82Å; I187-I363 HydrophobicContact CD1-CD1 3.88Å; I187-I363 HydrophobicContact CD1-CG1 4.18Å; I187-I363 HydrophobicContact CD1-CG2 3.99Å; A334-I363 HydrophobicContact CB-CG2 4.14Å; A335-I363 CarbonylContact O-C 3.47Å; A335-I363 WeakPolarHBondContact O-CA 3.38Å; A336-I363 HydrophobicContact CB-CG1 4.12Å; I363-E588 VanDerWaalsContact O-CA 3.29Å; I363-E588 WeakPolarHBondContact O-CA 3.35Å; I363-P589 HydrophobicContact CB-CB 4.39Å; I363-P589 HydrophobicContact CB-CG 4.34Å; I363-P589 HydrophobicContact CD1-CB 4.41Å; I363-P589 PolarHBondContact N-O 3.11Å; I363-P589 VanDerWaalsContact O-CD 3.29Å; I363-P589 WeakPolarHBondContact O-CD 3.38Å; I363-F591 HydrophobicContact CD1-CE2 4.17Å
364	E	98.3	Very high	95.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	105.6	166.9	-53.8	-54.2	146.2	0	0	108.3	A313 I316 F317 A334 A335 F366 V586	A313-E364 WeakPolarHBondContact CB-OE1 3.27Å; I316-E364 HydrophobicContact CB-CG 3.9Å; I316-E364 HydrophobicContact CD1-CG 3.7Å; I316-E364 HydrophobicContact CG1-CG 4.4Å; I316-E364 HydrophobicContact CG2-CB 3.86Å; I316-E364 HydrophobicContact CG2-CG 3.66Å; F317-E364 HydrophobicContact CE1-CB 4.41Å; F317-E364 HydrophobicContact CE1-CG 3.96Å; F317-E364 HydrophobicContact CZ-CG 4.14Å; F317-E364 VanDerWaalsContact CZ-OE2 3.29Å; F317-E364 WeakPolarHBondContact CZ-OE2 3.14Å; A334-E364 VanDerWaalsContact CA-O 3.28Å; A334-E364 WeakPolarHBondContact CA-O 3.38Å; A335-E364 PolarHBondContact N-O 3.43Å; A335-E364 PolarHBondContact O-N 3.28Å; E364-F366 HydrophobicContact CB-CD2 4.46Å; E364-F366 HydrophobicContact CB-CE2 3.67Å; E364-F366 HydrophobicContact CB-CZ 3.72Å; E364-F366 WeakPolarHBondContact O-CD2 3.35Å; E364-V586 HydrophobicContact CB-CG1 3.97Å; E364-V586 WeakPolarHBondContact OE2-CG1 3.43Å
365	H	98.3	Very high	96.2	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.065	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	103.2	175.8	-176.8	87.5	0	0	0	110.2	A334 F421 V586 I587	A334-H365 HydrophobicContact CB-CB 4.28Å; H365-F421 HydrophobicContact CB-CE2 3.68Å; H365-F421 HydrophobicContact CB-CZ 3.71Å; H365-F421 AromaticContact CD2-CE2 3.98Å; H365-F421 AromaticContact CG-CE2 3.59Å; H365-F421 AromaticContact CG-CZ 3.73Å; H365-F421 AromaticContact ND1-CE2 3.93Å; H365-F421 AromaticContact ND1-CZ 3.72Å; H365-V586 WeakPolarHBondContact O-CA 3.45Å; H365-I587 HydrophobicContact CB-CB 4.29Å; H365-I587 PolarHBondContact N-O 3.02Å; H365-I587 PolarHBondContact O-N 3.49Å
366	F	97.6	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.4	178.6	-58	-83.9	0	0	0	110.2	I316 F317 F320 L331 P332 F333 A335 E364 L481 P584 S585 V586	I316-F366 HydrophobicContact CG2-CE2 3.98Å; I316-F366 HydrophobicContact CG2-CZ 3.99Å; F317-F366 HydrophobicContact CD1-CE1 4.09Å; F317-F366 HydrophobicContact CD1-CZ 4.06Å; F317-F366 HydrophobicContact CE1-CE1 4.15Å; F317-F366 HydrophobicContact CE1-CZ 4.19Å; F320-F366 AromaticContact CD2-CD1 3.85Å; F320-F366 HydrophobicContact CD2-CD1 3.85Å; F320-F366 AromaticContact CD2-CE1 3.68Å; F320-F366 HydrophobicContact CD2-CE1 3.68Å; F320-F366 HydrophobicContact CD2-CE2 4.35Å; F320-F366 HydrophobicContact CD2-CG 4.28Å; F320-F366 AromaticContact CD2-CZ 3.95Å; F320-F366 HydrophobicContact CD2-CZ 3.95Å; F320-F366 AromaticContact CE2-CD1 3.72Å; F320-F366 HydrophobicContact CE2-CD1 3.72Å; F320-F366 HydrophobicContact CE2-CE1 4.05Å; F320-F366 AromaticContact CE2-CG 4Å; F320-F366 HydrophobicContact CE2-CG 4Å; L331-F366 HydrophobicContact CD2-CB 3.88Å; P332-F366 CarbonylContact C-O 3.53Å; P332-F366 WeakPolarHBondContact CA-O 3.5Å; P332-F366 VanDerWaalsContact CB-O 3.27Å; P332-F366 WeakPolarHBondContact CB-O 3.38Å; F333-F366 HydrophobicContact CD1-CB 4.2Å; F333-F366 HydrophobicContact CD2-CD2 4.09Å; F333-F366 HydrophobicContact CE1-CB 3.9Å; F333-F366 AromaticContact CE1-CD2 3.99Å; F333-F366 HydrophobicContact CE1-CD2 3.99Å; F333-F366 HydrophobicContact CE1-CG 4.1Å; F333-F366 AromaticContact CE2-CD2 3.46Å; F333-F366 HydrophobicContact CE2-CD2 3.46Å; F333-F366 VanDerWaalsContact CE2-CD2 3.46Å; F333-F366 AromaticContact CE2-CE2 3.89Å; F333-F366 HydrophobicContact CE2-CE2 3.89Å; F333-F366 HydrophobicContact CE2-CG 4.36Å; F333-F366 HydrophobicContact CZ-CB 4.21Å; F333-F366 AromaticContact CZ-CD2 3.41Å; F333-F366 HydrophobicContact CZ-CD2 3.41Å; F333-F366 VanDerWaalsContact CZ-CD2 3.41Å; F333-F366 AromaticContact CZ-CE2 3.96Å; F333-F366 HydrophobicContact CZ-CE2 3.96Å; F333-F366 AromaticContact CZ-CG 3.9Å; F333-F366 HydrophobicContact CZ-CG 3.9Å; F333-F366 PolarHBondContact N-O 2.97Å; F333-F366 PolarHBondContact O-N 3.38Å; A335-F366 HydrophobicContact CB-CE2 4.47Å; E364-F366 HydrophobicContact CB-CD2 4.46Å; E364-F366 HydrophobicContact CB-CE2 3.67Å; E364-F366 HydrophobicContact CB-CZ 3.72Å; E364-F366 WeakPolarHBondContact O-CD2 3.35Å; F366-L481 HydrophobicContact CD1-CD1 4.19Å; F366-L481 HydrophobicContact CE1-CD1 4.09Å; F366-L481 HydrophobicContact CE1-CD2 4.35Å; F366-L481 HydrophobicContact CE1-CG 4.49Å; F366-P584 HydrophobicContact CB-CB 4.02Å; F366-P584 HydrophobicContact CD1-CB 4.18Å; F366-S585 WeakPolarHBondContact CA-O 3.4Å; F366-V586 HydrophobicContact CD1-CG2 3.64Å; F366-V586 HydrophobicContact CE1-CG2 3.69Å
367	V	96.1	Very high	96.4	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150	-178.4	64.7	0	0	0	0	110.8	P332 P369 E371 K372 P584 S585	P332-V367 HydrophobicContact CB-CB 4.23Å; P332-V367 HydrophobicContact CB-CG2 4.2Å; V367-P369 WeakPolarHBondContact O-CD 3.33Å; V367-E371 WeakPolarHBondContact CG2-O 3.45Å; V367-K372 HydrophobicContact CG1-CG 4.24Å; V367-P584 WeakPolarHBondContact O-CA 3.13Å; V367-S585 PolarHBondContact N-O 2.9Å; V367-S585 PolarHBondContact O-N 2.85Å
368	D	94.3	Very high	96.4	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	22%	0.224	C	C	.	.			trans	-60.9	123.5	170.6	-176.9	-26.1	0	0	0	108.8	L331 N370 E371 K496 V582	L331-D368 HydrophobicContact CD1-CB 4.45Å; D368-N370 PolarHBondContact O-N 3.36Å; D368-N370 VanDerWaalsContact O-N 3.07Å; D368-N370 WeakPolarHBondContact OD1-CB 3.41Å; D368-N370 PolarHBondContact OD1-N 2.92Å; D368-E371 HydrophobicContact CB-CB 4.16Å; D368-E371 CarbonylContact O-C 3.52Å; D368-E371 PolarHBondContact O-N 3.47Å; D368-K496 IonicContact OD2-NZ 3.83Å; D368-K496 PolarHBondContact OD2-NZ 2.8Å; D368-V582 HydrophobicContact CB-CG1 4.48Å
369	P	90.1	Very high	96.4	Very high	53 Å²	53	42.4 Å²	42.4	34%	0.344	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.1	179.6	-23.7	32.1	0	0	0	114.2	V367 V583	V367-P369 WeakPolarHBondContact O-CD 3.33Å; P369-V583 VanDerWaalsContact CG-O 3.23Å; P369-V583 WeakPolarHBondContact CG-O 3.19Å
370	N	89.8	Confident	96.4	Very high	139 Å²	139	41.9 Å²	41.9	74%	0.743	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-10.1	179.7	-58.8	-51.8	0	0	0	113.2	D368	D368-N370 PolarHBondContact O-N 3.36Å; D368-N370 VanDerWaalsContact O-N 3.07Å; D368-N370 WeakPolarHBondContact OD1-CB 3.41Å; D368-N370 PolarHBondContact OD1-N 2.92Å
371	E	89.8	Confident	96.4	Very high	110 Å²	110	42.2 Å²	42.2	51%	0.514	24%	0.242	S	C	.	.			trans	-128.1	51.8	-177.5	-59.4	-176.8	-178.2	0	0	111.3	V367 D368 V373 K496	V367-E371 WeakPolarHBondContact CG2-O 3.45Å; D368-E371 HydrophobicContact CB-CB 4.16Å; D368-E371 CarbonylContact O-C 3.52Å; D368-E371 PolarHBondContact O-N 3.47Å; E371-V373 PolarHBondContact O-N 3.13Å; E371-K496 VanDerWaalsContact CD-NZ 3.32Å; E371-K496 IonicContact OE1-NZ 2.8Å; E371-K496 PolarHBondContact OE1-NZ 3.48Å; E371-K496 IonicContact OE2-NZ 3.63Å
372	K	93.6	Very high	96.4	Very high	40 Å²	40	47.5 Å²	47.5	17%	0.174	27%	0.27	C	S	.	.			trans	-74.6	60.4	175.3	-65.5	-168.7	175.5	-174.9	0	112.6	V367 N415 V417 D475 S585	V367-K372 HydrophobicContact CG1-CG 4.24Å; K372-N415 HydrophobicContact CB-CB 4.03Å; K372-V417 HydrophobicContact CB-CG2 4.43Å; K372-D475 IonicContact NZ-OD1 3.14Å; K372-D475 PolarHBondContact NZ-OD1 2.82Å; K372-D475 IonicContact NZ-OD2 3.93Å; K372-D475 PolarHBondContact NZ-OD2 3.45Å; K372-S585 VanDerWaalsContact CE-CB 3.49Å; K372-S585 WeakPolarHBondContact CE-OG 3.46Å; K372-S585 PolarHBondContact NZ-OG 2.82Å
373	V	95.6	Very high	96.4	Very high	109 Å²	109	49.1 Å²	49.1	66%	0.661	28%	0.279	S	S	*	.			trans	-125	124.1	176.4	-178.4	0	0	0	0	110.1	E371 S416	E371-V373 PolarHBondContact O-N 3.13Å; V373-S416 VanDerWaalsContact CA-OG 3.29Å; V373-S416 WeakPolarHBondContact CA-OG 3.45Å
374	H	97.8	Very high	96.4	Very high	19 Å²	19	54 Å²	54	9%	0.088	31%	0.305	C	S	.	.			trans	-93.5	122.5	178	-160.3	-85.8	0	0	0	111.5	K376 F377 S416 V417 Y420	H374-K376 PolarHBondContact ND1-N 3.36Å; H374-K376 PolarHBondContact O-N 2.88Å; H374-F377 HydrophobicContact CB-CB 4.45Å; H374-F377 WeakPolarHBondContact O-CB 3.41Å; H374-F377 PolarHBondContact O-N 3Å; H374-F377 VanDerWaalsContact O-N 3.1Å; H374-S416 PolarHBondContact N-OG 3.38Å; H374-V417 HydrophobicContact CB-CB 4.43Å; H374-V417 HydrophobicContact CB-CG2 4.06Å; H374-Y420 HydrophobicContact CB-CG 4.32Å; H374-Y420 AromaticContact CD2-CD1 3.76Å; H374-Y420 AromaticContact CE1-CD1 3.2Å; H374-Y420 WeakPolarHBondContact CE1-CD1 3.47Å; H374-Y420 AromaticContact CE1-CD2 3.99Å; H374-Y420 AromaticContact CE1-CE1 3.16Å; H374-Y420 WeakPolarHBondContact CE1-CE1 3.39Å; H374-Y420 AromaticContact CE1-CE2 3.96Å; H374-Y420 AromaticContact CE1-CG 3.62Å; H374-Y420 AromaticContact CE1-CZ 3.56Å; H374-Y420 AromaticContact CG-CD1 3.76Å; H374-Y420 AromaticContact CG-CG 3.66Å; H374-Y420 AromaticContact ND1-CD1 3.41Å; H374-Y420 WeakPolarHBondContact ND1-CD1 3.4Å; H374-Y420 AromaticContact ND1-CD2 3.59Å; H374-Y420 AromaticContact ND1-CE1 3.77Å; H374-Y420 AromaticContact ND1-CE2 3.92Å; H374-Y420 AromaticContact ND1-CG 3.3Å; H374-Y420 VanDerWaalsContact ND1-CG 3.3Å; H374-Y420 AromaticContact ND1-CZ 3.99Å; H374-Y420 AromaticContact NE2-CD1 3.42Å; H374-Y420 WeakPolarHBondContact NE2-CD1 3.4Å; H374-Y420 AromaticContact NE2-CE1 3.6Å
375	P	97.4	Very high	96.2	Very high	110 Å²	110	54 Å²	54	71%	0.714	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.6	-174.8	24.9	-34.2	0	0	0	113.4
376	K	98.3	Very high	96.2	Very high	69 Å²	69	55.7 Å²	55.7	30%	0.3	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	7.4	178.2	-57.5	-177.9	-178.6	176.7	0	114.3	E184 E185 H374 S378 S379 Y420	E184-K376 PolarHBondContact O-NZ 2.73Å; E184-K376 IonicContact OE1-NZ 3.73Å; E184-K376 PolarHBondContact OE1-NZ 3.1Å; E185-K376 IonicContact OE1-NZ 2.78Å; E185-K376 WeakPolarHBondContact OE2-CD 3.11Å; E185-K376 WeakPolarHBondContact OE2-CE 3.29Å; E185-K376 IonicContact OE2-NZ 2.87Å; E185-K376 PolarHBondContact OE2-NZ 3.43Å; H374-K376 PolarHBondContact ND1-N 3.36Å; H374-K376 PolarHBondContact O-N 2.88Å; K376-S378 PolarHBondContact O-N 3Å; K376-S378 VanDerWaalsContact O-N 3.14Å; K376-S379 WeakPolarHBondContact O-CB 3.36Å; K376-S379 PolarHBondContact O-N 3.32Å; K376-S379 PolarHBondContact O-OG 3.31Å; K376-Y420 HydrophobicContact CB-CD2 4.18Å; K376-Y420 HydrophobicContact CB-CE2 3.5Å; K376-Y420 VanDerWaalsContact CB-CE2 3.5Å; K376-Y420 WeakPolarHBondContact CD-OH 3.43Å; K376-Y420 WeakPolarHBondContact O-CD2 3.36Å; K376-Y420 WeakPolarHBondContact O-CE2 3.24Å
377	F	98.6	Very high	96.2	Very high	30 Å²	30	55.8 Å²	55.8	13%	0.132	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-55.9	-35.3	-176.6	178.3	-115.7	0	0	0	113.7	H374 S379 V380 A381 L404 V408 S416	H374-F377 HydrophobicContact CB-CB 4.45Å; H374-F377 WeakPolarHBondContact O-CB 3.41Å; H374-F377 PolarHBondContact O-N 3Å; H374-F377 VanDerWaalsContact O-N 3.1Å; F377-S379 PolarHBondContact O-N 2.97Å; F377-S379 VanDerWaalsContact O-N 3.09Å; F377-V380 HydrophobicContact CD2-CG2 4.06Å; F377-V380 HydrophobicContact CE2-CG2 4.34Å; F377-V380 WeakPolarHBondContact O-CG2 3.36Å; F377-V380 PolarHBondContact O-N 2.81Å; F377-A381 HydrophobicContact CD1-CB 4.41Å; F377-A381 HydrophobicContact CE1-CB 4.04Å; F377-A381 HydrophobicContact CZ-CB 4.24Å; F377-A381 PolarHBondContact O-N 2.82Å; F377-A381 VanDerWaalsContact O-N 3.08Å; F377-L404 HydrophobicContact CE2-CD2 4.3Å; F377-L404 HydrophobicContact CE2-CG 4.02Å; F377-L404 HydrophobicContact CZ-CG 4.32Å; F377-V408 HydrophobicContact CE1-CB 4.21Å; F377-V408 HydrophobicContact CE1-CG1 4.48Å; F377-V408 HydrophobicContact CE1-CG2 4.18Å; F377-V408 HydrophobicContact CE2-CG2 3.93Å; F377-V408 HydrophobicContact CZ-CB 3.94Å; F377-V408 HydrophobicContact CZ-CG2 3.46Å; F377-V408 VanDerWaalsContact CZ-CG2 3.46Å; F377-S416 WeakPolarHBondContact CD2-O 3.22Å
378	S	98.2	Very high	96	Very high	92 Å²	92	56.1 Å²	56.1	64%	0.643	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-56.6	-25.9	176.5	54.4	0	0	0	0	113.9	K376 V380	K376-S378 PolarHBondContact O-N 3Å; K376-S378 VanDerWaalsContact O-N 3.14Å; S378-V380 PolarHBondContact O-N 2.7Å
379	S	98.4	Very high	95.8	Very high	76 Å²	76	56.3 Å²	56.3	53%	0.531	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-72.3	-13.4	179.5	78.7	0	0	0	0	113.8	K376 F377	K376-S379 WeakPolarHBondContact O-CB 3.36Å; K376-S379 PolarHBondContact O-N 3.32Å; K376-S379 PolarHBondContact O-OG 3.31Å; F377-S379 PolarHBondContact O-N 2.97Å; F377-S379 VanDerWaalsContact O-N 3.09Å
380	V	98.6	Very high	95.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-6.5	-179.9	-61.7	0	0	0	0	113.1	F377 S378 D382 L383 L404 Y420 L427	F377-V380 HydrophobicContact CD2-CG2 4.06Å; F377-V380 HydrophobicContact CE2-CG2 4.34Å; F377-V380 WeakPolarHBondContact O-CG2 3.36Å; F377-V380 PolarHBondContact O-N 2.81Å; S378-V380 PolarHBondContact O-N 2.7Å; V380-D382 PolarHBondContact O-N 3.03Å; V380-D382 VanDerWaalsContact O-N 3.14Å; V380-L383 HydrophobicContact CB-CD1 3.82Å; V380-L383 HydrophobicContact CB-CG 4.44Å; V380-L383 HydrophobicContact CG1-CD1 4.18Å; V380-L383 WeakPolarHBondContact O-CB 3.28Å; V380-L383 VanDerWaalsContact O-CG 3.26Å; V380-L383 WeakPolarHBondContact O-CG 3.33Å; V380-L383 PolarHBondContact O-N 3.15Å; V380-L383 VanDerWaalsContact O-N 3.08Å; V380-L404 HydrophobicContact CB-CD2 4.14Å; V380-L404 HydrophobicContact CG2-CD2 3.88Å; V380-L404 WeakPolarHBondContact O-CD2 3.43Å; V380-Y420 HydrophobicContact CG1-CE2 4.46Å; V380-Y420 HydrophobicContact CG2-CD2 3.86Å; V380-L427 HydrophobicContact CG1-CD1 4Å
381	A	98.3	Very high	95.2	Very high	12 Å²	12	55.2 Å²	55.2	10%	0.099	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.2	-175.3	0	0	0	0	0	113.7	F377 L383 R403 L404 G405	F377-A381 HydrophobicContact CD1-CB 4.41Å; F377-A381 HydrophobicContact CE1-CB 4.04Å; F377-A381 HydrophobicContact CZ-CB 4.24Å; F377-A381 PolarHBondContact O-N 2.82Å; F377-A381 VanDerWaalsContact O-N 3.08Å; A381-L383 VanDerWaalsContact C-N 3.29Å; A381-L383 PolarHBondContact O-N 2.93Å; A381-R403 WeakPolarHBondContact O-CG 3.22Å; A381-L404 PolarHBondContact O-N 3.24Å; A381-G405 PolarHBondContact O-N 2.8Å
382	D	98.6	Very high	94.7	Very high	112 Å²	112	50 Å²	50	60%	0.599	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	4.9	-179.4	-65	-32.3	0	0	0	114.1	V380 R403	V380-D382 PolarHBondContact O-N 3.03Å; V380-D382 VanDerWaalsContact O-N 3.14Å; D382-R403 IonicContact OD1-CZ 2.73Å; D382-R403 VanDerWaalsContact OD1-CZ 3.3Å; D382-R403 IonicContact OD1-NE 3.3Å; D382-R403 PolarHBondContact OD1-NE 2.78Å; D382-R403 IonicContact OD1-NH2 2.67Å; D382-R403 PolarHBondContact OD1-NH2 3.48Å
383	L	98.3	Very high	94.1	Very high	36 Å²	36	48.4 Å²	48.4	19%	0.188	27%	0.271	C	S	.	.			trans	-73.6	128.8	176.2	-64.2	174.7	0	0	0	111.3	V380 A381 I385 R403 L404 Y426 L427	V380-L383 HydrophobicContact CB-CD1 3.82Å; V380-L383 HydrophobicContact CB-CG 4.44Å; V380-L383 HydrophobicContact CG1-CD1 4.18Å; V380-L383 WeakPolarHBondContact O-CB 3.28Å; V380-L383 VanDerWaalsContact O-CG 3.26Å; V380-L383 WeakPolarHBondContact O-CG 3.33Å; V380-L383 PolarHBondContact O-N 3.15Å; V380-L383 VanDerWaalsContact O-N 3.08Å; A381-L383 VanDerWaalsContact C-N 3.29Å; A381-L383 PolarHBondContact O-N 2.93Å; L383-I385 HydrophobicContact CB-CD1 4.06Å; L383-I385 HydrophobicContact CB-CG1 3.98Å; L383-I385 HydrophobicContact CD1-CD1 4.43Å; L383-R403 WeakPolarHBondContact O-CA 3.21Å; L383-L404 HydrophobicContact CB-CB 4.49Å; L383-L404 PolarHBondContact O-N 3.19Å; L383-Y426 HydrophobicContact CD1-CD1 4.08Å; L383-Y426 HydrophobicContact CD2-CD1 4.45Å; L383-Y426 HydrophobicContact CD2-CE1 4.33Å; L383-L427 HydrophobicContact CD1-CD1 4.17Å; L383-L427 HydrophobicContact CD1-CD2 4.2Å; L383-L427 HydrophobicContact CD1-CG 3.9Å; L383-L427 HydrophobicContact CD2-CD2 3.99Å
384	D	97.8	Very high	92.9	Very high	102 Å²	102	44 Å²	44	55%	0.545	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	112.3	167.5	-72.3	-40.8	0	0	0	110	I401	D384-I401 HydrophobicContact CB-CG2 3.77Å
385	I	96.1	Very high	91.6	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.7	-174.1	-58.6	-177.4	0	0	0	109.8	L383 L387 I401 M402 L404 I422 Y426 F441	L383-I385 HydrophobicContact CB-CD1 4.06Å; L383-I385 HydrophobicContact CB-CG1 3.98Å; L383-I385 HydrophobicContact CD1-CD1 4.43Å; I385-L387 HydrophobicContact CB-CD2 4.43Å; I385-L387 HydrophobicContact CG2-CD2 3.86Å; I385-L387 HydrophobicContact CG2-CG 4.47Å; I385-L387 PolarHBondContact O-N 3.22Å; I385-I401 WeakPolarHBondContact O-CA 3.24Å; I385-M402 PolarHBondContact N-O 2.85Å; I385-M402 PolarHBondContact O-N 2.87Å; I385-L404 HydrophobicContact CD1-CB 4.43Å; I385-L404 HydrophobicContact CD1-CD1 4.3Å; I385-L404 HydrophobicContact CD1-CD2 3.98Å; I385-L404 HydrophobicContact CD1-CG 4.48Å; I385-I422 HydrophobicContact CD1-CG2 4.09Å; I385-Y426 HydrophobicContact CD1-CD2 4.39Å; I385-Y426 HydrophobicContact CD1-CG 4.04Å; I385-Y426 HydrophobicContact CG1-CD2 4.13Å; I385-Y426 HydrophobicContact CG1-CE2 4.45Å; I385-Y426 HydrophobicContact CG1-CG 4.16Å; I385-Y426 HydrophobicContact CG2-CD2 4.43Å; I385-F441 HydrophobicContact CG2-CD2 3.36Å; I385-F441 HydrophobicContact CG2-CE2 3.69Å; I385-F441 HydrophobicContact CG2-CG 4.39Å
386	M	97.3	Very high	90	Very high	49 Å²	49	38.9 Å²	38.9	24%	0.241	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	109.2	172.1	-172.6	179.4	-62.2	0	0	109.8	A399 I401 R440 F441	M386-A399 HydrophobicContact CG-CB 3.72Å; M386-A399 HydrophobicContact SD-CB 4.05Å; M386-I401 HydrophobicContact CB-CG1 4.5Å; M386-R440 HydrophobicContact CB-CB 4.15Å; M386-R440 HydrophobicContact CG-CB 3.91Å; M386-R440 CarbonylContact O-C 3.5Å; M386-R440 VanDerWaalsContact O-CA 3.32Å; M386-R440 WeakPolarHBondContact O-CA 3.37Å; M386-R440 HydrophobicContact SD-CB 3.93Å; M386-F441 PolarHBondContact O-N 2.97Å
387	L	96.7	Very high	88.9	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.9	-179.3	-61.3	-179.6	0	0	0	110.8	I385 A399 H400 M402 A407 I413 F441 W457	I385-L387 HydrophobicContact CB-CD2 4.43Å; I385-L387 HydrophobicContact CG2-CD2 3.86Å; I385-L387 HydrophobicContact CG2-CG 4.47Å; I385-L387 PolarHBondContact O-N 3.22Å; L387-A399 WeakPolarHBondContact O-CA 3.37Å; L387-H400 PolarHBondContact N-O 2.87Å; L387-H400 PolarHBondContact O-N 2.96Å; L387-M402 HydrophobicContact CD1-CB 4.31Å; L387-M402 HydrophobicContact CD1-CE 3.57Å; L387-A407 HydrophobicContact CD1-CB 3.72Å; L387-I413 HydrophobicContact CD1-CD1 4.08Å; L387-I413 HydrophobicContact CD2-CD1 4.48Å; L387-F441 HydrophobicContact CD2-CB 3.86Å; L387-W457 HydrophobicContact CB-CH2 4.39Å; L387-W457 HydrophobicContact CB-CZ3 4.1Å; L387-W457 HydrophobicContact CD2-CE3 4.4Å; L387-W457 HydrophobicContact CD2-CZ3 3.98Å
388	Y	92.6	Very high	87.9	Confident	10 Å²	10	42.6 Å²	42.6	4%	0.039	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	78	176.5	-165	-156.7	0	0	0	110.7	A392 Q393 Q397 A399 F441 R442 Q443	Y388-A392 HydrophobicContact CD2-CB 4.02Å; Y388-A392 HydrophobicContact CE2-CB 4.19Å; Y388-Q393 HydrophobicContact CD1-CG 3.79Å; Y388-Q393 HydrophobicContact CD2-CG 3.69Å; Y388-Q393 HydrophobicContact CE1-CG 3.53Å; Y388-Q393 HydrophobicContact CE2-CB 4.08Å; Y388-Q393 HydrophobicContact CE2-CG 3.38Å; Y388-Q393 HydrophobicContact CG-CG 3.88Å; Y388-Q393 PolarHBondContact O-NE2 3.07Å; Y388-Q397 VanDerWaalsContact CE2-O 3.23Å; Y388-Q397 WeakPolarHBondContact CE2-O 3.23Å; Y388-A399 HydrophobicContact CD2-CB 4.16Å; Y388-A399 HydrophobicContact CG-CB 4Å; Y388-F441 PolarHBondContact N-O 2.89Å; Y388-R442 HydrophobicContact CD1-CB 4.46Å; Y388-R442 HydrophobicContact CD1-CG 3.87Å; Y388-R442 HydrophobicContact CG-CG 4.43Å; Y388-Q443 PolarHBondContact O-N 3.15Å
389	S	90.3	Very high	87.4	Confident	12 Å²	12	39.1 Å²	39.1	8%	0.084	22%	0.216	C	C	.	.			trans	-63.7	157.2	-176.1	70.3	0	0	0	0	112.8	K391 A392 Q393	S389-K391 PolarHBondContact O-N 3.45Å; S389-A392 PolarHBondContact O-N 2.97Å; S389-A392 VanDerWaalsContact O-N 3.09Å; S389-A392 WeakPolarHBondContact OG-CB 3.31Å; S389-A392 PolarHBondContact OG-N 3.17Å; S389-A392 VanDerWaalsContact OG-N 3.14Å; S389-Q393 WeakPolarHBondContact O-CG 3.29Å; S389-Q393 PolarHBondContact O-N 3Å; S389-Q393 PolarHBondContact O-NE2 2.87Å
390	S	84.4	Confident	87	Confident	16 Å²	16	39.2 Å²	39.2	11%	0.112	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-36.9	175.7	170.7	0	0	0	0	111.2	T394	S390-T394 WeakPolarHBondContact O-CB 3.43Å; S390-T394 VanDerWaalsContact O-CG2 3.3Å; S390-T394 WeakPolarHBondContact O-CG2 3.4Å; S390-T394 PolarHBondContact O-N 2.86Å; S390-T394 PolarHBondContact O-OG1 3.26Å
391	K	82.8	Confident	86.9	Confident	152 Å²	152	44.7 Å²	44.7	66%	0.661	24%	0.236	S	C	*	.	H	α-helix	trans	-63.4	-47.1	174.6	-69.4	179.3	-176.3	170.8	0	112.2	R91 S389 T394 S395	R91-K391 PolarHBondContact NH2-O 3.39Å; S389-K391 PolarHBondContact O-N 3.45Å; K391-T394 WeakPolarHBondContact CA-OG1 3.41Å; K391-T394 PolarHBondContact O-N 3.39Å; K391-T394 PolarHBondContact O-OG1 2.89Å; K391-S395 WeakPolarHBondContact O-CB 3.47Å; K391-S395 PolarHBondContact O-N 2.93Å; K391-S395 PolarHBondContact O-OG 2.66Å
392	A	78.8	Confident	86.8	Confident	2 Å²	2	45 Å²	45	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-49	178.1	0	0	0	0	0	110.5	Y388 S389 T394 S395 G396 Q397	Y388-A392 HydrophobicContact CD2-CB 4.02Å; Y388-A392 HydrophobicContact CE2-CB 4.19Å; S389-A392 PolarHBondContact O-N 2.97Å; S389-A392 VanDerWaalsContact O-N 3.09Å; S389-A392 WeakPolarHBondContact OG-CB 3.31Å; S389-A392 PolarHBondContact OG-N 3.17Å; S389-A392 VanDerWaalsContact OG-N 3.14Å; A392-T394 PolarHBondContact O-N 3.44Å; A392-S395 WeakPolarHBondContact CA-OG 3.33Å; A392-S395 CarbonylContact O-C 3.39Å; A392-S395 PolarHBondContact O-N 2.91Å; A392-S395 VanDerWaalsContact O-N 3.12Å; A392-S395 PolarHBondContact O-OG 2.88Å; A392-G396 PolarHBondContact O-N 3.39Å; A392-G396 VanDerWaalsContact O-N 3.13Å; A392-Q397 HydrophobicContact CB-CB 4.24Å; A392-Q397 PolarHBondContact O-N 3.13Å
393	Q	81.4	Confident	86.8	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.028	22%	0.224	C	C	.	.	H	α-helix	trans	-55.7	-51.5	177.5	-68	172.6	59.3	0	0	111.9	V83 K114 Y388 S389 S395 G396 R442 Q443	V83-Q393 WeakPolarHBondContact CG1-O 3.19Å; K114-Q393 WeakPolarHBondContact CE-O 3.42Å; K114-Q393 VanDerWaalsContact NZ-CB 3.31Å; K114-Q393 PolarHBondContact NZ-O 3.38Å; Y388-Q393 HydrophobicContact CD1-CG 3.79Å; Y388-Q393 HydrophobicContact CD2-CG 3.69Å; Y388-Q393 HydrophobicContact CE1-CG 3.53Å; Y388-Q393 HydrophobicContact CE2-CB 4.08Å; Y388-Q393 HydrophobicContact CE2-CG 3.38Å; Y388-Q393 HydrophobicContact CG-CG 3.88Å; Y388-Q393 PolarHBondContact O-NE2 3.07Å; S389-Q393 WeakPolarHBondContact O-CG 3.29Å; S389-Q393 PolarHBondContact O-N 3Å; S389-Q393 PolarHBondContact O-NE2 2.87Å; Q393-S395 VanDerWaalsContact C-N 3.25Å; Q393-S395 PolarHBondContact O-N 3.41Å; Q393-G396 PolarHBondContact O-N 2.98Å; Q393-R442 VanDerWaalsContact NE2-CG 3.34Å; Q393-Q443 PolarHBondContact NE2-O 3.17Å
394	T	70.5	Confident	86.8	Confident	16 Å²	16	42.5 Å²	42.5	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-26.3	-179.2	48.4	0	0	0	0	112.6	G87 R91 L110 S390 K391 A392 M445	G87-T394 WeakPolarHBondContact CA-O 3.31Å; R91-T394 PolarHBondContact NH2-OG1 2.76Å; L110-T394 HydrophobicContact CD2-CG2 3.92Å; S390-T394 WeakPolarHBondContact O-CB 3.43Å; S390-T394 VanDerWaalsContact O-CG2 3.3Å; S390-T394 WeakPolarHBondContact O-CG2 3.4Å; S390-T394 PolarHBondContact O-N 2.86Å; S390-T394 PolarHBondContact O-OG1 3.26Å; K391-T394 WeakPolarHBondContact CA-OG1 3.41Å; K391-T394 PolarHBondContact O-N 3.39Å; K391-T394 PolarHBondContact O-OG1 2.89Å; A392-T394 PolarHBondContact O-N 3.44Å; T394-M445 HydrophobicContact CG2-SD 4.01Å
395	S	70.2	Confident	86.8	Confident	18 Å²	18	37.8 Å²	37.8	13%	0.126	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	3.8	176.3	68.6	0	0	0	0	115.1	K84 K391 A392 Q393 Q397	K84-S395 VanDerWaalsContact CB-O 3.26Å; K84-S395 WeakPolarHBondContact CB-O 3.38Å; K84-S395 WeakPolarHBondContact CG-O 3.41Å; K391-S395 WeakPolarHBondContact O-CB 3.47Å; K391-S395 PolarHBondContact O-N 2.93Å; K391-S395 PolarHBondContact O-OG 2.66Å; A392-S395 WeakPolarHBondContact CA-OG 3.33Å; A392-S395 CarbonylContact O-C 3.39Å; A392-S395 PolarHBondContact O-N 2.91Å; A392-S395 VanDerWaalsContact O-N 3.12Å; A392-S395 PolarHBondContact O-OG 2.88Å; Q393-S395 VanDerWaalsContact C-N 3.25Å; Q393-S395 PolarHBondContact O-N 3.41Å; S395-Q397 PolarHBondContact O-N 3.4Å; S395-Q397 WeakPolarHBondContact OG-CG 3.29Å
396	G	65	Low	86.9	Confident	3 Å²	3	40 Å²	40	3%	0.031	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	12.1	-177.6	0	0	0	0	0	114.7	R80 A392 Q393	R80-G396 WeakPolarHBondContact CB-O 3.39Å; R80-G396 WeakPolarHBondContact CD-O 3.37Å; R80-G396 WeakPolarHBondContact CG-O 3.49Å; A392-G396 PolarHBondContact O-N 3.39Å; A392-G396 VanDerWaalsContact O-N 3.13Å; Q393-G396 PolarHBondContact O-N 2.98Å
397	Q	74.1	Confident	86.9	Confident	118 Å²	118	37.7 Å²	37.7	55%	0.551	19%	0.192	S	C	*	.	P	Polyproline II helix	trans	-78.1	151.7	175.3	-69.4	179.1	-18.2	0	0	110.3	Y388 A392 S395	Y388-Q397 VanDerWaalsContact CE2-O 3.23Å; Y388-Q397 WeakPolarHBondContact CE2-O 3.23Å; A392-Q397 HydrophobicContact CB-CB 4.24Å; A392-Q397 PolarHBondContact O-N 3.13Å; S395-Q397 PolarHBondContact O-N 3.4Å; S395-Q397 WeakPolarHBondContact OG-CG 3.29Å
398	S	78.3	Confident	86.9	Confident	59 Å²	59	38.9 Å²	38.9	41%	0.413	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-72.8	165.5	173.3	61.9	0	0	0	0	112
399	A	87.5	Confident	87.1	Confident	20 Å²	20	46.2 Å²	46.2	17%	0.165	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-56.2	148.7	161.6	0	0	0	0	0	110	M386 L387 Y388	M386-A399 HydrophobicContact CG-CB 3.72Å; M386-A399 HydrophobicContact SD-CB 4.05Å; L387-A399 WeakPolarHBondContact O-CA 3.37Å; Y388-A399 HydrophobicContact CD2-CB 4.16Å; Y388-A399 HydrophobicContact CG-CB 4Å
400	H	90.2	Very high	87.4	Confident	78 Å²	78	51.9 Å²	51.9	36%	0.361	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	151.7	178.6	57.7	-84.4	0	0	0	110.4	L387	L387-H400 PolarHBondContact N-O 2.87Å; L387-H400 PolarHBondContact O-N 2.96Å
401	I	96.1	Very high	87.8	Confident	115 Å²	115	53.6 Å²	53.6	59%	0.59	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	130.9	175.3	-61.9	173.9	0	0	0	107.9	D384 I385 M386	D384-I401 HydrophobicContact CB-CG2 3.77Å; I385-I401 WeakPolarHBondContact O-CA 3.24Å; M386-I401 HydrophobicContact CB-CG1 4.5Å
402	M	96.9	Very high	88.3	Confident	20 Å²	20	48 Å²	48	10%	0.099	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.9	174.1	-168.9	165.3	54.5	0	0	109.2	I385 L387 D406 A407 V412	I385-M402 PolarHBondContact N-O 2.85Å; I385-M402 PolarHBondContact O-N 2.87Å; L387-M402 HydrophobicContact CD1-CB 4.31Å; L387-M402 HydrophobicContact CD1-CE 3.57Å; M402-D406 HydrophobicContact CG-CB 4.43Å; M402-A407 VanDerWaalsContact CE-CA 3.42Å; M402-A407 HydrophobicContact CE-CB 3.31Å; M402-A407 HydrophobicContact CG-CB 4.5Å; M402-A407 HydrophobicContact SD-CB 4.38Å; M402-V412 HydrophobicContact CE-CB 3.84Å; M402-V412 HydrophobicContact CE-CG1 3.86Å; M402-V412 HydrophobicContact CE-CG2 3.83Å
403	R	98.2	Very high	89.1	Confident	94 Å²	94	47.9 Å²	47.9	36%	0.355	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	133	170.7	178.9	176	166.1	-133.5	8.4	109.3	A381 D382 L383 G405 D406 A407	A381-R403 WeakPolarHBondContact O-CG 3.22Å; D382-R403 IonicContact OD1-CZ 2.73Å; D382-R403 VanDerWaalsContact OD1-CZ 3.3Å; D382-R403 IonicContact OD1-NE 3.3Å; D382-R403 PolarHBondContact OD1-NE 2.78Å; D382-R403 IonicContact OD1-NH2 2.67Å; D382-R403 PolarHBondContact OD1-NH2 3.48Å; L383-R403 WeakPolarHBondContact O-CA 3.21Å; R403-G405 VanDerWaalsContact C-N 3.3Å; R403-G405 PolarHBondContact O-N 2.82Å; R403-D406 HydrophobicContact CB-CB 4.27Å; R403-D406 IonicContact CZ-OD1 3.7Å; R403-D406 IonicContact NE-OD1 3.63Å; R403-D406 IonicContact NH1-OD1 3.76Å; R403-D406 PolarHBondContact NH1-OD1 2.95Å; R403-D406 PolarHBondContact O-N 3.41Å; R403-D406 VanDerWaalsContact O-N 3.16Å; R403-A407 PolarHBondContact O-N 2.91Å
404	L	97.9	Very high	89.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-35.4	-172.3	-174.3	59.1	0	0	0	113	F377 V380 A381 L383 I385 A407 V408 I413 G419 I422	F377-L404 HydrophobicContact CE2-CD2 4.3Å; F377-L404 HydrophobicContact CE2-CG 4.02Å; F377-L404 HydrophobicContact CZ-CG 4.32Å; V380-L404 HydrophobicContact CB-CD2 4.14Å; V380-L404 HydrophobicContact CG2-CD2 3.88Å; V380-L404 WeakPolarHBondContact O-CD2 3.43Å; A381-L404 PolarHBondContact O-N 3.24Å; L383-L404 HydrophobicContact CB-CB 4.49Å; L383-L404 PolarHBondContact O-N 3.19Å; I385-L404 HydrophobicContact CD1-CB 4.43Å; I385-L404 HydrophobicContact CD1-CD1 4.3Å; I385-L404 HydrophobicContact CD1-CD2 3.98Å; I385-L404 HydrophobicContact CD1-CG 4.48Å; L404-A407 WeakPolarHBondContact O-CB 3.31Å; L404-A407 PolarHBondContact O-N 3.49Å; L404-V408 PolarHBondContact O-N 3.19Å; L404-I413 HydrophobicContact CD1-CD1 3.5Å; L404-G419 WeakPolarHBondContact CD2-O 3.33Å; L404-I422 HydrophobicContact CD1-CG2 4.04Å
405	G	98.1	Very high	90.9	Very high	3 Å²	3	51.7 Å²	51.7	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-52.4	172.1	0	0	0	0	0	111.9	A381 R403 A407 V408 E409	A381-G405 PolarHBondContact O-N 2.8Å; R403-G405 VanDerWaalsContact C-N 3.3Å; R403-G405 PolarHBondContact O-N 2.82Å; G405-A407 PolarHBondContact O-N 2.77Å; G405-V408 PolarHBondContact O-N 2.88Å; G405-V408 VanDerWaalsContact O-N 3.11Å; G405-E409 WeakPolarHBondContact O-CG 3.43Å; G405-E409 PolarHBondContact O-N 2.82Å
406	D	98.2	Very high	92.2	Very high	48 Å²	48	51.5 Å²	51.5	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-60.3	-34.9	178.7	-56.6	7.2	0	0	0	111.3	M402 R403 V408 E409 Q410	M402-D406 HydrophobicContact CG-CB 4.43Å; R403-D406 HydrophobicContact CB-CB 4.27Å; R403-D406 IonicContact CZ-OD1 3.7Å; R403-D406 IonicContact NE-OD1 3.63Å; R403-D406 IonicContact NH1-OD1 3.76Å; R403-D406 PolarHBondContact NH1-OD1 2.95Å; R403-D406 PolarHBondContact O-N 3.41Å; R403-D406 VanDerWaalsContact O-N 3.16Å; D406-V408 VanDerWaalsContact C-N 3.34Å; D406-V408 PolarHBondContact O-N 2.89Å; D406-E409 PolarHBondContact O-N 2.96Å; D406-Q410 VanDerWaalsContact O-CB 3.29Å; D406-Q410 WeakPolarHBondContact O-CB 3.15Å; D406-Q410 WeakPolarHBondContact O-CG 3.39Å; D406-Q410 PolarHBondContact O-N 2.87Å
407	A	97.4	Very high	93.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-40.4	176.3	0	0	0	0	0	113.3	L387 M402 R403 L404 G405 V412 I413	L387-A407 HydrophobicContact CD1-CB 3.72Å; M402-A407 VanDerWaalsContact CE-CA 3.42Å; M402-A407 HydrophobicContact CE-CB 3.31Å; M402-A407 HydrophobicContact CG-CB 4.5Å; M402-A407 HydrophobicContact SD-CB 4.38Å; R403-A407 PolarHBondContact O-N 2.91Å; L404-A407 WeakPolarHBondContact O-CB 3.31Å; L404-A407 PolarHBondContact O-N 3.49Å; G405-A407 PolarHBondContact O-N 2.77Å; A407-V412 WeakPolarHBondContact O-CA 3.39Å; A407-V412 WeakPolarHBondContact O-CB 3.32Å; A407-V412 PolarHBondContact O-N 3.17Å; A407-I413 HydrophobicContact CB-CD1 3.8Å; A407-I413 HydrophobicContact CB-CG1 4.2Å; A407-I413 PolarHBondContact O-N 2.97Å; A407-I413 VanDerWaalsContact O-N 3.07Å
408	V	97.1	Very high	94.8	Very high	27 Å²	27	45.8 Å²	45.8	16%	0.164	25%	0.247	C	C	.	.	H	α-helix	trans	-76.4	-43.7	177.6	175.5	0	0	0	0	110.2	F377 L404 G405 D406 Q410 G411 I413	F377-V408 HydrophobicContact CE1-CB 4.21Å; F377-V408 HydrophobicContact CE1-CG1 4.48Å; F377-V408 HydrophobicContact CE1-CG2 4.18Å; F377-V408 HydrophobicContact CE2-CG2 3.93Å; F377-V408 HydrophobicContact CZ-CB 3.94Å; F377-V408 HydrophobicContact CZ-CG2 3.46Å; F377-V408 VanDerWaalsContact CZ-CG2 3.46Å; L404-V408 PolarHBondContact O-N 3.19Å; G405-V408 PolarHBondContact O-N 2.88Å; G405-V408 VanDerWaalsContact O-N 3.11Å; D406-V408 VanDerWaalsContact C-N 3.34Å; D406-V408 PolarHBondContact O-N 2.89Å; V408-Q410 VanDerWaalsContact C-N 3.3Å; V408-Q410 PolarHBondContact O-N 3.12Å; V408-G411 PolarHBondContact O-N 3.36Å; V408-I413 HydrophobicContact CG2-CB 4Å; V408-I413 HydrophobicContact CG2-CG2 4.03Å
409	E	96.8	Very high	95.7	Very high	163 Å²	163	43 Å²	43	76%	0.762	23%	0.228	S	C	*	.	H	α-helix	trans	-60.6	-37.6	178.4	-72.4	-179.1	-176	0	0	112.8	G405 D406 G411	G405-E409 WeakPolarHBondContact O-CG 3.43Å; G405-E409 PolarHBondContact O-N 2.82Å; D406-E409 PolarHBondContact O-N 2.96Å; E409-G411 VanDerWaalsContact C-N 3.27Å; E409-G411 PolarHBondContact O-N 3.05Å
410	Q	95.9	Very high	96.3	Very high	132 Å²	132	42 Å²	42	62%	0.617	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.5	177.9	-65.1	173.8	38.1	0	0	113.5	D406 V408 V412	D406-Q410 VanDerWaalsContact O-CB 3.29Å; D406-Q410 WeakPolarHBondContact O-CB 3.15Å; D406-Q410 WeakPolarHBondContact O-CG 3.39Å; D406-Q410 PolarHBondContact O-N 2.87Å; V408-Q410 VanDerWaalsContact C-N 3.3Å; V408-Q410 PolarHBondContact O-N 3.12Å; Q410-V412 VanDerWaalsContact C-N 3.26Å; Q410-V412 HydrophobicContact CB-CG2 4.35Å; Q410-V412 PolarHBondContact O-N 2.97Å
411	G	93.3	Very high	96.7	Very high	51 Å²	51	38.5 Å²	38.5	53%	0.526	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	24.5	-178	0	0	0	0	0	114	V408 E409	V408-G411 PolarHBondContact O-N 3.36Å; E409-G411 VanDerWaalsContact C-N 3.27Å; E409-G411 PolarHBondContact O-N 3.05Å
412	V	93.4	Very high	96.8	Very high	34 Å²	34	33 Å²	33	21%	0.206	18%	0.175	C	C	.	.	S	Bend	trans	-71.5	-45.6	169	176.4	0	0	0	0	109.2	M402 A407 Q410 W457	M402-V412 HydrophobicContact CE-CB 3.84Å; M402-V412 HydrophobicContact CE-CG1 3.86Å; M402-V412 HydrophobicContact CE-CG2 3.83Å; A407-V412 WeakPolarHBondContact O-CA 3.39Å; A407-V412 WeakPolarHBondContact O-CB 3.32Å; A407-V412 PolarHBondContact O-N 3.17Å; Q410-V412 VanDerWaalsContact C-N 3.26Å; Q410-V412 HydrophobicContact CB-CG2 4.35Å; Q410-V412 PolarHBondContact O-N 2.97Å; V412-W457 HydrophobicContact CG1-CH2 3.98Å; V412-W457 HydrophobicContact CG1-CZ2 4.17Å; V412-W457 WeakPolarHBondContact O-CZ2 3.37Å
413	I	95.6	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-99.8	128.3	168.4	-64.8	170.1	0	0	0	107.5	L387 L404 A407 V408 N415 L418 I422 W457	L387-I413 HydrophobicContact CD1-CD1 4.08Å; L387-I413 HydrophobicContact CD2-CD1 4.48Å; L404-I413 HydrophobicContact CD1-CD1 3.5Å; A407-I413 HydrophobicContact CB-CD1 3.8Å; A407-I413 HydrophobicContact CB-CG1 4.2Å; A407-I413 PolarHBondContact O-N 2.97Å; A407-I413 VanDerWaalsContact O-N 3.07Å; V408-I413 HydrophobicContact CG2-CB 4Å; V408-I413 HydrophobicContact CG2-CG2 4.03Å; I413-N415 PolarHBondContact O-N 3.21Å; I413-L418 HydrophobicContact CG2-CB 4.08Å; I413-L418 HydrophobicContact CG2-CD2 4.26Å; I413-L418 HydrophobicContact CG2-CG 4.3Å; I413-I422 HydrophobicContact CD1-CD1 3.77Å; I413-I422 HydrophobicContact CG1-CD1 4.18Å; I413-I422 HydrophobicContact CG2-CD1 4.21Å; I413-W457 HydrophobicContact CG1-CH2 4.47Å; I413-W457 HydrophobicContact CG1-CZ2 3.9Å
414	N	93.7	Very high	96.9	Very high	91 Å²	91	29 Å²	29	49%	0.487	16%	0.159	S	C	.	.	S	Bend	trans	-58	-43.2	-166.7	-172.8	-35.5	0	0	0	114	D455	N414-D455 HydrophobicContact CB-CB 4.16Å; N414-D455 WeakPolarHBondContact CB-OD2 3.39Å; N414-D455 PolarHBondContact N-OD2 2.97Å
415	N	95	Very high	97	Very high	11 Å²	11	29 Å²	29	6%	0.059	16%	0.159	C	C	.	.			trans	-151.6	167.4	-175.6	62.4	71.3	0	0	0	112.3	K372 I413 V417 L418 G419	K372-N415 HydrophobicContact CB-CB 4.03Å; I413-N415 PolarHBondContact O-N 3.21Å; N415-V417 VanDerWaalsContact C-N 3.31Å; N415-V417 PolarHBondContact O-N 3.45Å; N415-V417 WeakPolarHBondContact OD1-CB 3.33Å; N415-V417 PolarHBondContact OD1-N 2.71Å; N415-V417 VanDerWaalsContact OD1-N 3.1Å; N415-L418 PolarHBondContact O-N 2.87Å; N415-L418 PolarHBondContact OD1-N 2.78Å; N415-G419 PolarHBondContact O-N 3.34Å
416	S	97.3	Very high	97	Very high	15 Å²	15	29.9 Å²	29.9	11%	0.105	16%	0.162	C	C	.	.	H	α-helix	trans	-74.8	-15.4	-176.3	62.3	0	0	0	0	114.3	V373 H374 F377 Y420	V373-S416 VanDerWaalsContact CA-OG 3.29Å; V373-S416 WeakPolarHBondContact CA-OG 3.45Å; H374-S416 PolarHBondContact N-OG 3.38Å; F377-S416 WeakPolarHBondContact CD2-O 3.22Å; S416-Y420 WeakPolarHBondContact O-CB 3.33Å; S416-Y420 PolarHBondContact O-N 2.96Å
417	V	97.6	Very high	97	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.8	-49.4	170.4	-173.8	0	0	0	0	110	K372 H374 N415 G419 Y420 F421 I587	K372-V417 HydrophobicContact CB-CG2 4.43Å; H374-V417 HydrophobicContact CB-CB 4.43Å; H374-V417 HydrophobicContact CB-CG2 4.06Å; N415-V417 VanDerWaalsContact C-N 3.31Å; N415-V417 PolarHBondContact O-N 3.45Å; N415-V417 WeakPolarHBondContact OD1-CB 3.33Å; N415-V417 PolarHBondContact OD1-N 2.71Å; N415-V417 VanDerWaalsContact OD1-N 3.1Å; V417-G419 VanDerWaalsContact C-N 3.34Å; V417-G419 PolarHBondContact O-N 2.77Å; V417-Y420 WeakPolarHBondContact O-CB 3.36Å; V417-Y420 PolarHBondContact O-N 3.35Å; V417-F421 HydrophobicContact CG1-CD2 4Å; V417-F421 HydrophobicContact CG1-CE2 3.84Å; V417-F421 VanDerWaalsContact O-CD2 3.29Å; V417-F421 WeakPolarHBondContact O-CD2 3.39Å; V417-F421 PolarHBondContact O-N 2.81Å; V417-F421 VanDerWaalsContact O-N 3.07Å; V417-I587 HydrophobicContact CB-CG1 4.44Å; V417-I587 HydrophobicContact CG1-CB 4.44Å; V417-I587 HydrophobicContact CG1-CG1 3.75Å
418	L	96.6	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-43.5	175.1	-162	65.2	0	0	0	111.1	I413 N415 Y420 F421 I422 D455 I587	I413-L418 HydrophobicContact CG2-CB 4.08Å; I413-L418 HydrophobicContact CG2-CD2 4.26Å; I413-L418 HydrophobicContact CG2-CG 4.3Å; N415-L418 PolarHBondContact O-N 2.87Å; N415-L418 PolarHBondContact OD1-N 2.78Å; L418-Y420 VanDerWaalsContact C-N 3.34Å; L418-Y420 PolarHBondContact O-N 3.41Å; L418-F421 PolarHBondContact O-N 3.07Å; L418-I422 HydrophobicContact CG-CD1 4.25Å; L418-I422 VanDerWaalsContact O-CG1 3.32Å; L418-I422 WeakPolarHBondContact O-CG1 3.27Å; L418-I422 PolarHBondContact O-N 2.81Å; L418-D455 HydrophobicContact CD2-CB 3.85Å; L418-D455 WeakPolarHBondContact CD2-OD2 3.46Å; L418-I587 HydrophobicContact CD1-CG2 3.98Å
419	G	97.9	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.4	-45.8	172.5	0	0	0	0	0	112.4	L404 N415 V417 F421 I422 G423	L404-G419 WeakPolarHBondContact CD2-O 3.33Å; N415-G419 PolarHBondContact O-N 3.34Å; V417-G419 VanDerWaalsContact C-N 3.34Å; V417-G419 PolarHBondContact O-N 2.77Å; G419-F421 PolarHBondContact O-N 2.89Å; G419-I422 PolarHBondContact O-N 2.77Å; G419-G423 PolarHBondContact O-N 2.91Å
420	Y	98.7	Very high	97.2	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-49.6	178.5	-178.2	-107	0	0	0	112.2	E185 H374 K376 V380 S416 V417 L418 G423 R424	E185-Y420 VanDerWaalsContact CD-OH 3.24Å; E185-Y420 HydrophobicContact CG-CE1 4.48Å; E185-Y420 WeakPolarHBondContact OE1-CE1 3.3Å; E185-Y420 PolarHBondContact OE1-OH 3.42Å; E185-Y420 PolarHBondContact OE2-OH 3.1Å; H374-Y420 HydrophobicContact CB-CG 4.32Å; H374-Y420 AromaticContact CD2-CD1 3.76Å; H374-Y420 AromaticContact CE1-CD1 3.2Å; H374-Y420 WeakPolarHBondContact CE1-CD1 3.47Å; H374-Y420 AromaticContact CE1-CD2 3.99Å; H374-Y420 AromaticContact CE1-CE1 3.16Å; H374-Y420 WeakPolarHBondContact CE1-CE1 3.39Å; H374-Y420 AromaticContact CE1-CE2 3.96Å; H374-Y420 AromaticContact CE1-CG 3.62Å; H374-Y420 AromaticContact CE1-CZ 3.56Å; H374-Y420 AromaticContact CG-CD1 3.76Å; H374-Y420 AromaticContact CG-CG 3.66Å; H374-Y420 AromaticContact ND1-CD1 3.41Å; H374-Y420 WeakPolarHBondContact ND1-CD1 3.4Å; H374-Y420 AromaticContact ND1-CD2 3.59Å; H374-Y420 AromaticContact ND1-CE1 3.77Å; H374-Y420 AromaticContact ND1-CE2 3.92Å; H374-Y420 AromaticContact ND1-CG 3.3Å; H374-Y420 VanDerWaalsContact ND1-CG 3.3Å; H374-Y420 AromaticContact ND1-CZ 3.99Å; H374-Y420 AromaticContact NE2-CD1 3.42Å; H374-Y420 WeakPolarHBondContact NE2-CD1 3.4Å; H374-Y420 AromaticContact NE2-CE1 3.6Å; K376-Y420 HydrophobicContact CB-CD2 4.18Å; K376-Y420 HydrophobicContact CB-CE2 3.5Å; K376-Y420 VanDerWaalsContact CB-CE2 3.5Å; K376-Y420 WeakPolarHBondContact CD-OH 3.43Å; K376-Y420 WeakPolarHBondContact O-CD2 3.36Å; K376-Y420 WeakPolarHBondContact O-CE2 3.24Å; V380-Y420 HydrophobicContact CG1-CE2 4.46Å; V380-Y420 HydrophobicContact CG2-CD2 3.86Å; S416-Y420 WeakPolarHBondContact O-CB 3.33Å; S416-Y420 PolarHBondContact O-N 2.96Å; V417-Y420 WeakPolarHBondContact O-CB 3.36Å; V417-Y420 PolarHBondContact O-N 3.35Å; L418-Y420 VanDerWaalsContact C-N 3.34Å; L418-Y420 PolarHBondContact O-N 3.41Å; Y420-G423 PolarHBondContact O-N 2.86Å; Y420-R424 HydrophobicContact CD1-CG 4.16Å; Y420-R424 HydrophobicContact CD2-CG 4.43Å; Y420-R424 HydrophobicContact CE1-CG 3.69Å; Y420-R424 HydrophobicContact CE2-CG 4.01Å; Y420-R424 WeakPolarHBondContact O-CG 2.81Å; Y420-R424 PolarHBondContact O-N 3.45Å
421	F	98.6	Very high	97.3	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.013	12%	0.117	C	C	.	.	H	α-helix	trans	-65.3	-39.3	179.2	-77.5	-66.5	0	0	0	112.3	H365 V417 L418 G419 G423 R424 I425 I587 P589	H365-F421 HydrophobicContact CB-CE2 3.68Å; H365-F421 HydrophobicContact CB-CZ 3.71Å; H365-F421 AromaticContact CD2-CE2 3.98Å; H365-F421 AromaticContact CG-CE2 3.59Å; H365-F421 AromaticContact CG-CZ 3.73Å; H365-F421 AromaticContact ND1-CE2 3.93Å; H365-F421 AromaticContact ND1-CZ 3.72Å; V417-F421 HydrophobicContact CG1-CD2 4Å; V417-F421 HydrophobicContact CG1-CE2 3.84Å; V417-F421 VanDerWaalsContact O-CD2 3.29Å; V417-F421 WeakPolarHBondContact O-CD2 3.39Å; V417-F421 PolarHBondContact O-N 2.81Å; V417-F421 VanDerWaalsContact O-N 3.07Å; L418-F421 PolarHBondContact O-N 3.07Å; G419-F421 PolarHBondContact O-N 2.89Å; F421-G423 VanDerWaalsContact C-N 3.32Å; F421-G423 PolarHBondContact O-N 3.18Å; F421-R424 PolarHBondContact O-N 2.61Å; F421-I425 WeakPolarHBondContact O-CB 3.42Å; F421-I425 WeakPolarHBondContact O-CD1 3.27Å; F421-I425 WeakPolarHBondContact O-CG1 3.44Å; F421-I425 PolarHBondContact O-N 3.4Å; F421-I587 HydrophobicContact CD2-CB 4.44Å; F421-I587 HydrophobicContact CD2-CG2 3.86Å; F421-I587 HydrophobicContact CE2-CB 4.49Å; F421-I587 HydrophobicContact CE2-CG2 4.37Å; F421-P589 HydrophobicContact CB-CG 4.07Å; F421-P589 HydrophobicContact CD1-CG 3.59Å; F421-P589 HydrophobicContact CD2-CG 4.38Å; F421-P589 HydrophobicContact CE1-CG 4.1Å; F421-P589 HydrophobicContact CG-CG 3.76Å
422	I	98.7	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.4	-47.5	172.2	-73.4	166.6	0	0	0	110.8	I385 L404 I413 L418 G419 I425 Y426 F441 W457	I385-I422 HydrophobicContact CD1-CG2 4.09Å; L404-I422 HydrophobicContact CD1-CG2 4.04Å; I413-I422 HydrophobicContact CD1-CD1 3.77Å; I413-I422 HydrophobicContact CG1-CD1 4.18Å; I413-I422 HydrophobicContact CG2-CD1 4.21Å; L418-I422 HydrophobicContact CG-CD1 4.25Å; L418-I422 VanDerWaalsContact O-CG1 3.32Å; L418-I422 WeakPolarHBondContact O-CG1 3.27Å; L418-I422 PolarHBondContact O-N 2.81Å; G419-I422 PolarHBondContact O-N 2.77Å; I422-I425 PolarHBondContact O-N 3.41Å; I422-Y426 WeakPolarHBondContact O-CB 3.49Å; I422-Y426 PolarHBondContact O-N 3.36Å; I422-F441 HydrophobicContact CB-CD1 4.45Å; I422-F441 HydrophobicContact CB-CE1 4.34Å; I422-F441 HydrophobicContact CG1-CD1 4.18Å; I422-F441 HydrophobicContact CG1-CE1 4.38Å; I422-F441 HydrophobicContact CG2-CD1 3.86Å; I422-F441 HydrophobicContact CG2-CD2 4.26Å; I422-F441 HydrophobicContact CG2-CE1 3.88Å; I422-F441 HydrophobicContact CG2-CE2 4.3Å; I422-F441 HydrophobicContact CG2-CG 4.04Å; I422-F441 HydrophobicContact CG2-CZ 4.11Å; I422-F441 WeakPolarHBondContact O-CZ 3.28Å; I422-W457 HydrophobicContact CD1-CB 3.95Å; I422-W457 HydrophobicContact CD1-CD2 4.21Å; I422-W457 HydrophobicContact CD1-CG 3.78Å; I422-W457 HydrophobicContact CG1-CB 4.39Å
423	G	98.7	Very high	97.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.9	-44.7	177.8	0	0	0	0	0	113.1	G419 Y420 F421 Y426 L427	G419-G423 PolarHBondContact O-N 2.91Å; Y420-G423 PolarHBondContact O-N 2.86Å; F421-G423 VanDerWaalsContact C-N 3.32Å; F421-G423 PolarHBondContact O-N 3.18Å; G423-Y426 WeakPolarHBondContact O-CB 3.43Å; G423-Y426 PolarHBondContact O-N 3.37Å; G423-L427 WeakPolarHBondContact O-CG 3.41Å; G423-L427 PolarHBondContact O-N 3.29Å
424	R	98.8	Very high	97.8	Very high	29 Å²	29	17.3 Å²	17.3	11%	0.109	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-41.6	176	-67.7	-59.7	-59.3	-159.9	-5	112.2	H180 F181 Y420 F421 Y426 L427 Y428	H180-R424 PolarHBondContact CD2-NH2 2.97Å; H180-R424 PolarHBondContact CE1-NH2 3.06Å; H180-R424 PolarHBondContact NE2-NE 3.22Å; H180-R424 PolarHBondContact NE2-NH2 3.4Å; H180-R424 PolarHBondContact NE2-O 3.42Å; H180-R424 PolarHBondContact O-NH2 3.23Å; F181-R424 HydrophobicContact CE1-CB 3.73Å; F181-R424 HydrophobicContact CZ-CB 4.41Å; Y420-R424 HydrophobicContact CD1-CG 4.16Å; Y420-R424 HydrophobicContact CD2-CG 4.43Å; Y420-R424 HydrophobicContact CE1-CG 3.69Å; Y420-R424 HydrophobicContact CE2-CG 4.01Å; Y420-R424 WeakPolarHBondContact O-CG 2.81Å; Y420-R424 PolarHBondContact O-N 3.45Å; F421-R424 PolarHBondContact O-N 2.61Å; R424-Y426 VanDerWaalsContact C-N 3.32Å; R424-Y426 PolarHBondContact O-N 2.98Å; R424-L427 PolarHBondContact O-N 2.83Å; R424-Y428 WeakPolarHBondContact O-CB 3.43Å; R424-Y428 PolarHBondContact O-N 3.35Å
425	I	98.9	Very high	97.9	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-57.8	-46.8	174	-69	160.8	0	0	0	110.1	F181 F421 I422 L427 Y428 L429 F441 A459 V471 C473 P589 F591	F181-I425 HydrophobicContact CZ-CG1 4.42Å; F421-I425 WeakPolarHBondContact O-CB 3.42Å; F421-I425 WeakPolarHBondContact O-CD1 3.27Å; F421-I425 WeakPolarHBondContact O-CG1 3.44Å; F421-I425 PolarHBondContact O-N 3.4Å; I422-I425 PolarHBondContact O-N 3.41Å; I425-L427 PolarHBondContact O-N 2.87Å; I425-Y428 PolarHBondContact O-N 3.09Å; I425-L429 HydrophobicContact CG2-CD1 3.68Å; I425-L429 HydrophobicContact CG2-CG 4.16Å; I425-L429 WeakPolarHBondContact O-CB 3.37Å; I425-L429 VanDerWaalsContact O-CG 3.28Å; I425-L429 WeakPolarHBondContact O-CG 3.23Å; I425-L429 PolarHBondContact O-N 3.3Å; I425-F441 HydrophobicContact CB-CE1 4.09Å; I425-F441 HydrophobicContact CB-CZ 4.17Å; I425-F441 HydrophobicContact CG2-CE1 3.76Å; I425-F441 HydrophobicContact CG2-CZ 3.85Å; I425-A459 HydrophobicContact CG2-CB 3.99Å; I425-V471 HydrophobicContact CD1-CG1 3.94Å; I425-V471 HydrophobicContact CG1-CG1 4.23Å; I425-V471 HydrophobicContact CG2-CB 4.18Å; I425-V471 HydrophobicContact CG2-CG1 4.12Å; I425-V471 HydrophobicContact CG2-CG2 4.17Å; I425-C473 HydrophobicContact CD1-CB 3.94Å; I425-P589 HydrophobicContact CD1-CB 4.28Å; I425-F591 HydrophobicContact CG1-CE1 3.98Å; I425-F591 HydrophobicContact CG1-CZ 3.73Å; I425-F591 HydrophobicContact CG2-CE1 4.44Å
426	Y	98.8	Very high	98	Very high	22 Å²	22	19.9 Å²	19.9	9%	0.086	10%	0.101	C	C	.	.	H	α-helix	trans	-58.3	-48.6	176.4	173.7	-91.3	0	0	0	112	L383 I385 I422 G423 R424 Y428 L429 T430 K436 L439 F441	L383-Y426 HydrophobicContact CD1-CD1 4.08Å; L383-Y426 HydrophobicContact CD2-CD1 4.45Å; L383-Y426 HydrophobicContact CD2-CE1 4.33Å; I385-Y426 HydrophobicContact CD1-CD2 4.39Å; I385-Y426 HydrophobicContact CD1-CG 4.04Å; I385-Y426 HydrophobicContact CG1-CD2 4.13Å; I385-Y426 HydrophobicContact CG1-CE2 4.45Å; I385-Y426 HydrophobicContact CG1-CG 4.16Å; I385-Y426 HydrophobicContact CG2-CD2 4.43Å; I422-Y426 WeakPolarHBondContact O-CB 3.49Å; I422-Y426 PolarHBondContact O-N 3.36Å; G423-Y426 WeakPolarHBondContact O-CB 3.43Å; G423-Y426 PolarHBondContact O-N 3.37Å; R424-Y426 VanDerWaalsContact C-N 3.32Å; R424-Y426 PolarHBondContact O-N 2.98Å; Y426-Y428 VanDerWaalsContact C-N 3.34Å; Y426-Y428 PolarHBondContact O-N 3.46Å; Y426-L429 PolarHBondContact O-N 2.96Å; Y426-T430 HydrophobicContact CD1-CG2 4.5Å; Y426-T430 HydrophobicContact CD2-CG2 4.34Å; Y426-T430 HydrophobicContact CE1-CG2 4.2Å; Y426-T430 HydrophobicContact CE2-CG2 4.06Å; Y426-T430 WeakPolarHBondContact O-CB 3.42Å; Y426-T430 VanDerWaalsContact O-CG2 3.28Å; Y426-T430 WeakPolarHBondContact O-CG2 3.39Å; Y426-T430 PolarHBondContact O-N 3.08Å; Y426-T430 PolarHBondContact O-OG1 3.31Å; Y426-K436 VanDerWaalsContact OH-CD 3.26Å; Y426-K436 WeakPolarHBondContact OH-CD 3.39Å; Y426-K436 WeakPolarHBondContact OH-CE 3.42Å; Y426-K436 WeakPolarHBondContact OH-CG 3.38Å; Y426-L439 HydrophobicContact CD2-CD2 3.69Å; Y426-L439 HydrophobicContact CE2-CD2 4.18Å; Y426-F441 HydrophobicContact CD2-CE2 4.22Å
427	L	98.7	Very high	97.7	Very high	54 Å²	54	24.2 Å²	24.2	28%	0.283	12%	0.123	S	C	.	.	H	α-helix	trans	-62.9	-40.1	178.9	-71	175	0	0	0	112.3	V380 L383 G423 R424 I425 T430 K431	V380-L427 HydrophobicContact CG1-CD1 4Å; L383-L427 HydrophobicContact CD1-CD1 4.17Å; L383-L427 HydrophobicContact CD1-CD2 4.2Å; L383-L427 HydrophobicContact CD1-CG 3.9Å; L383-L427 HydrophobicContact CD2-CD2 3.99Å; G423-L427 WeakPolarHBondContact O-CG 3.41Å; G423-L427 PolarHBondContact O-N 3.29Å; R424-L427 PolarHBondContact O-N 2.83Å; I425-L427 PolarHBondContact O-N 2.87Å; L427-T430 PolarHBondContact O-OG1 3.03Å; L427-T430 VanDerWaalsContact O-OG1 3.12Å; L427-K431 WeakPolarHBondContact O-CB 3.47Å; L427-K431 PolarHBondContact O-N 3.31Å
428	Y	98.8	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64	-53.5	175.8	166.1	-106	0	0	0	111.8	I173 V176 W177 H180 F181 R424 I425 Y426 T430 K431 V432 F591 I596	I173-Y428 WeakPolarHBondContact CG2-OH 3.25Å; V176-Y428 HydrophobicContact CG1-CD2 4.25Å; V176-Y428 HydrophobicContact CG1-CE2 4.2Å; W177-Y428 HydrophobicContact CB-CD2 4.5Å; W177-Y428 HydrophobicContact CB-CE2 3.68Å; W177-Y428 AromaticContact CD1-CE1 3.79Å; W177-Y428 AromaticContact CD1-CE2 3.84Å; W177-Y428 AromaticContact CD1-CZ 3.55Å; W177-Y428 HydrophobicContact CG-CE2 4.18Å; H180-Y428 HydrophobicContact CB-CD2 4.27Å; F181-Y428 HydrophobicContact CE2-CD1 4.03Å; F181-Y428 HydrophobicContact CE2-CD2 4.05Å; F181-Y428 AromaticContact CE2-CG 3.64Å; F181-Y428 HydrophobicContact CE2-CG 3.64Å; F181-Y428 HydrophobicContact CZ-CD1 4.49Å; F181-Y428 HydrophobicContact CZ-CG 4.18Å; R424-Y428 WeakPolarHBondContact O-CB 3.43Å; R424-Y428 PolarHBondContact O-N 3.35Å; I425-Y428 PolarHBondContact O-N 3.09Å; Y426-Y428 VanDerWaalsContact C-N 3.34Å; Y426-Y428 PolarHBondContact O-N 3.46Å; Y428-T430 VanDerWaalsContact C-N 3.31Å; Y428-T430 PolarHBondContact O-N 3.45Å; Y428-K431 WeakPolarHBondContact O-CB 3.49Å; Y428-K431 PolarHBondContact O-N 2.96Å; Y428-K431 VanDerWaalsContact O-N 3.11Å; Y428-V432 HydrophobicContact CD2-CG1 4.03Å; Y428-V432 HydrophobicContact CE2-CG1 3.54Å; Y428-V432 WeakPolarHBondContact O-CG2 3.28Å; Y428-V432 PolarHBondContact O-N 2.87Å; Y428-F591 HydrophobicContact CD1-CD1 4.23Å; Y428-F591 AromaticContact CD1-CE1 3.91Å; Y428-F591 HydrophobicContact CD1-CE1 3.91Å; Y428-F591 HydrophobicContact CE1-CD1 4.04Å; Y428-F591 HydrophobicContact CE1-CE1 4.17Å; Y428-I596 HydrophobicContact CE1-CD1 4.32Å
429	L	98.8	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59	-43.8	-177.1	-70.2	176.3	0	0	0	111.2	I425 Y426 V432 G433 V434 L439 A459 I470 V471 I596	I425-L429 HydrophobicContact CG2-CD1 3.68Å; I425-L429 HydrophobicContact CG2-CG 4.16Å; I425-L429 WeakPolarHBondContact O-CB 3.37Å; I425-L429 VanDerWaalsContact O-CG 3.28Å; I425-L429 WeakPolarHBondContact O-CG 3.23Å; I425-L429 PolarHBondContact O-N 3.3Å; Y426-L429 PolarHBondContact O-N 2.96Å; L429-V432 VanDerWaalsContact O-CG2 3.23Å; L429-V432 WeakPolarHBondContact O-CG2 3.17Å; L429-V432 PolarHBondContact O-N 3.12Å; L429-G433 PolarHBondContact O-N 3.37Å; L429-V434 HydrophobicContact CB-CB 4.12Å; L429-V434 HydrophobicContact CB-CG2 4.06Å; L429-V434 HydrophobicContact CD2-CG2 4.31Å; L429-V434 VanDerWaalsContact O-CB 3.26Å; L429-V434 WeakPolarHBondContact O-CB 3.46Å; L429-V434 WeakPolarHBondContact O-CG2 3.45Å; L429-V434 PolarHBondContact O-N 3.48Å; L429-L439 HydrophobicContact CB-CD2 4.11Å; L429-L439 HydrophobicContact CD1-CD1 3.79Å; L429-L439 HydrophobicContact CD1-CD2 4.2Å; L429-A459 HydrophobicContact CD1-CB 3.85Å; L429-I470 HydrophobicContact CD1-CD1 4Å; L429-I470 HydrophobicContact CD1-CG1 4.46Å; L429-I470 HydrophobicContact CD2-CD1 3.75Å; L429-I470 HydrophobicContact CG-CD1 4.5Å; L429-V471 HydrophobicContact CD1-CG2 4.29Å; L429-V471 HydrophobicContact CD2-CG2 4.21Å; L429-I596 HydrophobicContact CD2-CD1 4.28Å; L429-I596 HydrophobicContact CD2-CG1 4.1Å; L429-I596 HydrophobicContact CD2-CG2 4.2Å
430	T	98.1	Very high	97.6	Very high	30 Å²	30	26.8 Å²	26.8	18%	0.184	13%	0.134	C	C	.	.	H	α-helix	trans	-67.4	-38.1	176.7	55.3	0	0	0	0	112.3	Y426 L427 Y428 V432 G433 K436 L439	Y426-T430 HydrophobicContact CD1-CG2 4.5Å; Y426-T430 HydrophobicContact CD2-CG2 4.34Å; Y426-T430 HydrophobicContact CE1-CG2 4.2Å; Y426-T430 HydrophobicContact CE2-CG2 4.06Å; Y426-T430 WeakPolarHBondContact O-CB 3.42Å; Y426-T430 VanDerWaalsContact O-CG2 3.28Å; Y426-T430 WeakPolarHBondContact O-CG2 3.39Å; Y426-T430 PolarHBondContact O-N 3.08Å; Y426-T430 PolarHBondContact O-OG1 3.31Å; L427-T430 PolarHBondContact O-OG1 3.03Å; L427-T430 VanDerWaalsContact O-OG1 3.12Å; Y428-T430 VanDerWaalsContact C-N 3.31Å; Y428-T430 PolarHBondContact O-N 3.45Å; T430-V432 VanDerWaalsContact C-N 3.32Å; T430-V432 PolarHBondContact O-N 3Å; T430-G433 PolarHBondContact O-N 3.12Å; T430-K436 HydrophobicContact CG2-CD 4.49Å; T430-K436 HydrophobicContact CG2-CG 3.59Å; T430-L439 HydrophobicContact CG2-CD2 4.26Å
431	K	97.7	Very high	97.6	Very high	89 Å²	89	26.7 Å²	26.7	39%	0.387	13%	0.134	S	C	.	.	H	α-helix	trans	-62.6	-34.5	175.2	-177	175.8	-177.4	179.7	0	113.1	V176 L427 Y428	V176-K431 HydrophobicContact CG1-CD 3.97Å; V176-K431 HydrophobicContact CG1-CG 4.33Å; L427-K431 WeakPolarHBondContact O-CB 3.47Å; L427-K431 PolarHBondContact O-N 3.31Å; Y428-K431 WeakPolarHBondContact O-CB 3.49Å; Y428-K431 PolarHBondContact O-N 2.96Å; Y428-K431 VanDerWaalsContact O-N 3.11Å
432	V	98.1	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-86.5	-4.4	179.3	-59.2	0	0	0	0	113.8	V176 Y428 L429 T430 I596 I600 V623	V176-V432 HydrophobicContact CB-CG1 4.34Å; V176-V432 HydrophobicContact CG1-CG1 3.9Å; Y428-V432 HydrophobicContact CD2-CG1 4.03Å; Y428-V432 HydrophobicContact CE2-CG1 3.54Å; Y428-V432 WeakPolarHBondContact O-CG2 3.28Å; Y428-V432 PolarHBondContact O-N 2.87Å; L429-V432 VanDerWaalsContact O-CG2 3.23Å; L429-V432 WeakPolarHBondContact O-CG2 3.17Å; L429-V432 PolarHBondContact O-N 3.12Å; T430-V432 VanDerWaalsContact C-N 3.32Å; T430-V432 PolarHBondContact O-N 3Å; V432-I596 HydrophobicContact CG2-CG2 4.25Å; V432-I600 HydrophobicContact CB-CD1 3.94Å; V432-I600 HydrophobicContact CG2-CD1 3.74Å; V432-I600 HydrophobicContact CG2-CG1 4.42Å; V432-I600 WeakPolarHBondContact O-CD1 3.17Å; V432-V623 HydrophobicContact CB-CG1 4.04Å; V432-V623 HydrophobicContact CG1-CG1 3.87Å; V432-V623 WeakPolarHBondContact O-CG2 3.46Å
433	G	97	Very high	97.2	Very high	13 Å²	13	29.3 Å²	29.3	13%	0.134	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	114.5	12.7	170.7	0	0	0	0	0	115.5	L429 T430 A435	L429-G433 PolarHBondContact O-N 3.37Å; T430-G433 PolarHBondContact O-N 3.12Å; G433-A435 PolarHBondContact O-N 3.17Å
434	V	97.8	Very high	96.5	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	15%	0.153	C	C	.	.			trans	-74.2	119.9	170.5	-179.9	0	0	0	0	109.5	L429 K436 L439 T461 T599 I600	L429-V434 HydrophobicContact CB-CB 4.12Å; L429-V434 HydrophobicContact CB-CG2 4.06Å; L429-V434 HydrophobicContact CD2-CG2 4.31Å; L429-V434 VanDerWaalsContact O-CB 3.26Å; L429-V434 WeakPolarHBondContact O-CB 3.46Å; L429-V434 WeakPolarHBondContact O-CG2 3.45Å; L429-V434 PolarHBondContact O-N 3.48Å; V434-K436 PolarHBondContact O-N 2.86Å; V434-L439 HydrophobicContact CG1-CB 4.1Å; V434-L439 HydrophobicContact CG1-CD1 4.48Å; V434-L439 HydrophobicContact CG1-CD2 4.4Å; V434-T461 HydrophobicContact CG1-CG2 3.58Å; V434-T599 HydrophobicContact CG1-CG2 4.18Å; V434-T599 HydrophobicContact CG2-CG2 4.04Å; V434-I600 HydrophobicContact CG2-CG1 4.36Å
435	A	95.9	Very high	95.5	Very high	27 Å²	27	30.1 Å²	30.1	22%	0.223	15%	0.15	C	C	.	.			trans	-57.2	130.4	173.2	0	0	0	0	0	112.8	G433 D437 K438 L439 H603	G433-A435 PolarHBondContact O-N 3.17Å; A435-D437 WeakPolarHBondContact CB-OD1 3.49Å; A435-D437 PolarHBondContact O-N 3.23Å; A435-K438 HydrophobicContact CB-CB 4.26Å; A435-K438 HydrophobicContact CB-CG 4.36Å; A435-K438 CarbonylContact O-C 3.57Å; A435-K438 PolarHBondContact O-N 2.89Å; A435-L439 PolarHBondContact O-N 2.92Å; A435-H603 HydrophobicContact CB-CB 4.29Å; A435-H603 PolarHBondContact N-ND1 2.92Å
436	K	95.5	Very high	94	Very high	130 Å²	130	35 Å²	35	57%	0.565	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-64.6	-39.3	-173.8	-71.6	179.1	172	-170.2	0	113.2	Y426 T430 V434 K438 L439	Y426-K436 VanDerWaalsContact OH-CD 3.26Å; Y426-K436 WeakPolarHBondContact OH-CD 3.39Å; Y426-K436 WeakPolarHBondContact OH-CE 3.42Å; Y426-K436 WeakPolarHBondContact OH-CG 3.38Å; T430-K436 HydrophobicContact CG2-CD 4.49Å; T430-K436 HydrophobicContact CG2-CG 3.59Å; V434-K436 PolarHBondContact O-N 2.86Å; K436-K438 PolarHBondContact O-N 2.96Å; K436-L439 PolarHBondContact O-N 3.38Å
437	D	93	Very high	92.3	Very high	105 Å²	105	36.7 Å²	36.7	56%	0.561	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-70.1	-17.1	178.1	59.9	-53.8	0	0	0	113.1	A435	A435-D437 WeakPolarHBondContact CB-OD1 3.49Å; A435-D437 PolarHBondContact O-N 3.23Å
438	K	94.8	Very high	90.5	Very high	39 Å²	39	37.2 Å²	37.2	17%	0.17	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-108	15.2	178	-59.9	-172	-177.6	-166.7	0	112.8	D129 A435 K436 T461 K462 W467 H603	D129-K438 PolarHBondContact O-NZ 3.34Å; D129-K438 WeakPolarHBondContact OD1-CE 3.44Å; D129-K438 IonicContact OD1-NZ 3.83Å; D129-K438 PolarHBondContact OD1-NZ 2.85Å; A435-K438 HydrophobicContact CB-CB 4.26Å; A435-K438 HydrophobicContact CB-CG 4.36Å; A435-K438 CarbonylContact O-C 3.57Å; A435-K438 PolarHBondContact O-N 2.89Å; K436-K438 PolarHBondContact O-N 2.96Å; K438-T461 CarbonylContact O-C 3.42Å; K438-T461 WeakPolarHBondContact O-CA 3.24Å; K438-K462 HydrophobicContact CB-CB 4.04Å; K438-K462 HydrophobicContact CG-CB 4.44Å; K438-K462 PolarHBondContact O-N 3.33Å; K438-W467 WeakPolarHBondContact O-CZ3 3.29Å; K438-H603 VanDerWaalsContact CB-CE1 3.42Å; K438-H603 WeakPolarHBondContact CB-CE1 3.36Å
439	L	97.6	Very high	88.8	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.8	179.3	175.7	61.5	0	0	0	110	Y426 L429 T430 V434 A435 K436 F441 A459 T461	Y426-L439 HydrophobicContact CD2-CD2 3.69Å; Y426-L439 HydrophobicContact CE2-CD2 4.18Å; L429-L439 HydrophobicContact CB-CD2 4.11Å; L429-L439 HydrophobicContact CD1-CD1 3.79Å; L429-L439 HydrophobicContact CD1-CD2 4.2Å; T430-L439 HydrophobicContact CG2-CD2 4.26Å; V434-L439 HydrophobicContact CG1-CB 4.1Å; V434-L439 HydrophobicContact CG1-CD1 4.48Å; V434-L439 HydrophobicContact CG1-CD2 4.4Å; A435-L439 PolarHBondContact O-N 2.92Å; K436-L439 PolarHBondContact O-N 3.38Å; L439-F441 HydrophobicContact CG-CE2 4.48Å; L439-A459 HydrophobicContact CD1-CB 4.33Å; L439-T461 HydrophobicContact CD1-CG2 3.75Å
440	R	96.9	Very high	86.9	Confident	12 Å²	12	41.9 Å²	41.9	5%	0.045	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.8	172.2	75.8	-175.4	-175.7	-178	0.6	110.8	M386 A459 E460 W467	M386-R440 HydrophobicContact CB-CB 4.15Å; M386-R440 HydrophobicContact CG-CB 3.91Å; M386-R440 CarbonylContact O-C 3.5Å; M386-R440 VanDerWaalsContact O-CA 3.32Å; M386-R440 WeakPolarHBondContact O-CA 3.37Å; M386-R440 HydrophobicContact SD-CB 3.93Å; R440-A459 WeakPolarHBondContact O-CA 3.48Å; R440-E460 HydrophobicContact CG-CB 4.02Å; R440-E460 IonicContact CZ-OE2 3.42Å; R440-E460 PolarHBondContact N-O 3.38Å; R440-E460 IonicContact NE-OE2 3.53Å; R440-E460 PolarHBondContact NE-OE2 2.83Å; R440-E460 IonicContact NH2-OE2 2.66Å; R440-E460 PolarHBondContact NH2-OE2 3.12Å; R440-E460 PolarHBondContact O-N 2.84Å; R440-W467 HydrophobicContact CB-CH2 4.13Å; R440-W467 HydrophobicContact CB-CZ3 3.94Å; R440-W467 HydrophobicContact CG-CD2 4.43Å; R440-W467 HydrophobicContact CG-CE3 3.73Å; R440-W467 HydrophobicContact CG-CH2 3.99Å; R440-W467 HydrophobicContact CG-CZ3 3.49Å; R440-W467 VanDerWaalsContact CG-CZ3 3.49Å
441	F	98.3	Very high	84.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.6	168.5	-67.8	-103.2	0	0	0	109.4	I385 M386 L387 Y388 I422 I425 Y426 L439 W457 D458 A459	I385-F441 HydrophobicContact CG2-CD2 3.36Å; I385-F441 HydrophobicContact CG2-CE2 3.69Å; I385-F441 HydrophobicContact CG2-CG 4.39Å; M386-F441 PolarHBondContact O-N 2.97Å; L387-F441 HydrophobicContact CD2-CB 3.86Å; Y388-F441 PolarHBondContact N-O 2.89Å; I422-F441 HydrophobicContact CB-CD1 4.45Å; I422-F441 HydrophobicContact CB-CE1 4.34Å; I422-F441 HydrophobicContact CG1-CD1 4.18Å; I422-F441 HydrophobicContact CG1-CE1 4.38Å; I422-F441 HydrophobicContact CG2-CD1 3.86Å; I422-F441 HydrophobicContact CG2-CD2 4.26Å; I422-F441 HydrophobicContact CG2-CE1 3.88Å; I422-F441 HydrophobicContact CG2-CE2 4.3Å; I422-F441 HydrophobicContact CG2-CG 4.04Å; I422-F441 HydrophobicContact CG2-CZ 4.11Å; I422-F441 WeakPolarHBondContact O-CZ 3.28Å; I425-F441 HydrophobicContact CB-CE1 4.09Å; I425-F441 HydrophobicContact CB-CZ 4.17Å; I425-F441 HydrophobicContact CG2-CE1 3.76Å; I425-F441 HydrophobicContact CG2-CZ 3.85Å; Y426-F441 HydrophobicContact CD2-CE2 4.22Å; L439-F441 HydrophobicContact CG-CE2 4.48Å; F441-W457 HydrophobicContact CB-CE3 3.9Å; F441-W457 HydrophobicContact CB-CZ3 4.49Å; F441-W457 WeakPolarHBondContact O-CZ3 3.15Å; F441-D458 CarbonylContact C-O 3.58Å; F441-D458 VanDerWaalsContact CA-O 3.23Å; F441-D458 WeakPolarHBondContact CA-O 3.45Å; F441-A459 HydrophobicContact CD1-CB 3.98Å; F441-A459 HydrophobicContact CE1-CB 3.65Å; F441-A459 HydrophobicContact CZ-CB 4.08Å
442	R	95.4	Very high	82.9	Confident	27 Å²	27	44.1 Å²	44.1	10%	0.102	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.7	-179.7	-174.2	-169	68.6	83.3	8.3	109.9	Y388 Q393 E448 W457 D458 E460	Y388-R442 HydrophobicContact CD1-CB 4.46Å; Y388-R442 HydrophobicContact CD1-CG 3.87Å; Y388-R442 HydrophobicContact CG-CG 4.43Å; Q393-R442 VanDerWaalsContact NE2-CG 3.34Å; R442-E448 IonicContact CZ-OE2 3.23Å; R442-E448 IonicContact NH1-OE2 3.12Å; R442-E448 PolarHBondContact NH1-OE2 2.87Å; R442-E448 IonicContact NH2-OE2 3.14Å; R442-W457 CarbonylContact O-C 3.56Å; R442-W457 WeakPolarHBondContact O-CA 3.23Å; R442-D458 IonicContact CZ-OD2 3.82Å; R442-D458 PolarHBondContact N-O 2.96Å; R442-D458 IonicContact NH2-OD2 3.72Å; R442-D458 PolarHBondContact NH2-OD2 2.8Å; R442-D458 PolarHBondContact O-N 2.8Å; R442-E460 HydrophobicContact CB-CG 4.3Å; R442-E460 VanDerWaalsContact CD-OE1 3.24Å; R442-E460 WeakPolarHBondContact CD-OE1 3.09Å; R442-E460 IonicContact CZ-OE1 2.8Å; R442-E460 IonicContact NE-OE1 3.11Å; R442-E460 PolarHBondContact NE-OE1 2.94Å
443	Q	93	Very high	81.3	Confident	30 Å²	30	44.6 Å²	44.6	14%	0.14	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	141.5	174.7	-164.9	176.9	28	0	0	110.6	Y388 Q393 D455 C456 W457	Y388-Q443 PolarHBondContact O-N 3.15Å; Q393-Q443 PolarHBondContact NE2-O 3.17Å; Q443-D455 PolarHBondContact NE2-OD1 2.87Å; Q443-C456 CarbonylContact C-O 3.55Å; Q443-C456 VanDerWaalsContact CA-O 3.31Å; Q443-C456 WeakPolarHBondContact CA-O 3.41Å; Q443-W457 HydrophobicContact CB-CD2 3.83Å; Q443-W457 HydrophobicContact CB-CE3 3.88Å; Q443-W457 HydrophobicContact CB-CH2 3.81Å; Q443-W457 HydrophobicContact CB-CZ2 3.71Å; Q443-W457 HydrophobicContact CB-CZ3 3.88Å; Q443-W457 HydrophobicContact CG-CD2 4.1Å; Q443-W457 HydrophobicContact CG-CH2 4.39Å; Q443-W457 HydrophobicContact CG-CZ2 3.78Å
444	H	84.8	Confident	80.3	Confident	40 Å²	40	47.2 Å²	47.2	19%	0.185	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-65.7	145.3	169.1	-76.1	-153.3	0	0	0	110.5	E448 C456 D458	H444-E448 HydrophobicContact CB-CB 4.41Å; H444-C456 HydrophobicContact CB-CB 4.02Å; H444-C456 VanDerWaalsContact CE1-SG 3.58Å; H444-C456 PolarHBondContact N-O 2.99Å; H444-D458 IonicContact CD2-OD1 3.75Å; H444-D458 IonicContact CD2-OD2 2.79Å; H444-D458 PolarHBondContact CD2-OD2 2.76Å; H444-D458 IonicContact CE1-OD1 3.81Å; H444-D458 IonicContact CE1-OD2 3.19Å; H444-D458 IonicContact NE2-OD1 3.59Å; H444-D458 PolarHBondContact NE2-OD1 2.86Å; H444-D458 IonicContact NE2-OD2 3.32Å; H444-D458 PolarHBondContact NE2-OD2 3.04Å
445	M	76.8	Confident	79.6	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.03	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-80.8	159.8	168.1	-64.8	-176.6	-80.6	0	0	110.7	K111 K114 T394 N447 E448 M449	K111-M445 HydrophobicContact CG-CE 4.4Å; K114-M445 PolarHBondContact NZ-SD 3.04Å; T394-M445 HydrophobicContact CG2-SD 4.01Å; M445-N447 VanDerWaalsContact CB-OD1 3.22Å; M445-N447 WeakPolarHBondContact CB-OD1 3.46Å; M445-N447 PolarHBondContact O-N 2.84Å; M445-E448 HydrophobicContact CB-CG 4.35Å; M445-E448 HydrophobicContact CE-CG 4.11Å; M445-E448 WeakPolarHBondContact CE-OE1 3.43Å; M445-E448 PolarHBondContact O-N 3.16Å; M445-M449 PolarHBondContact O-N 3.5Å
446	D	68.9	Low	79.4	Confident	105 Å²	105	46.7 Å²	46.7	56%	0.561	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.4	-179.5	-41	-22.7	0	0	0	113.8	K94	K94-D446 IonicContact NZ-OD2 2.73Å; K94-D446 PolarHBondContact NZ-OD2 3.25Å
447	N	61.6	Low	79.4	Confident	56 Å²	56	40.5 Å²	40.5	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.5	-178.5	68.1	-80.6	0	0	0	113.6	V107 K111 M445	V107-N447 HydrophobicContact CG1-CB 3.71Å; V107-N447 WeakPolarHBondContact CG1-ND2 3.08Å; V107-N447 HydrophobicContact CG2-CB 4.49Å; K111-N447 WeakPolarHBondContact CE-ND2 3.45Å; M445-N447 VanDerWaalsContact CB-OD1 3.22Å; M445-N447 WeakPolarHBondContact CB-OD1 3.46Å; M445-N447 PolarHBondContact O-N 2.84Å
448	E	61.4	Low	79.6	Confident	65 Å²	65	36 Å²	36	30%	0.304	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-27	172.7	-64.6	-178.3	163.9	0	0	110.9	R442 H444 M445 A450	R442-E448 IonicContact CZ-OE2 3.23Å; R442-E448 IonicContact NH1-OE2 3.12Å; R442-E448 PolarHBondContact NH1-OE2 2.87Å; R442-E448 IonicContact NH2-OE2 3.14Å; H444-E448 HydrophobicContact CB-CB 4.41Å; M445-E448 HydrophobicContact CB-CG 4.35Å; M445-E448 HydrophobicContact CE-CG 4.11Å; M445-E448 WeakPolarHBondContact CE-OE1 3.43Å; M445-E448 PolarHBondContact O-N 3.16Å; E448-A450 PolarHBondContact O-N 2.82Å
449	M	63.3	Low	79.8	Confident	64 Å²	64	34.1 Å²	34.1	32%	0.315	18%	0.178	S	C	.	.	S	Bend	trans	-53.9	126.1	174.9	-165.5	166.4	68.9	0	0	109.8	M445 A453	M445-M449 PolarHBondContact O-N 3.5Å; M449-A453 VanDerWaalsContact CE-O 3.3Å; M449-A453 WeakPolarHBondContact CE-O 3.36Å; M449-A453 HydrophobicContact CG-CB 3.7Å; M449-A453 WeakPolarHBondContact CG-O 3.49Å
450	A	59.7	Low	79.8	Confident	34 Å²	34	34.7 Å²	34.7	28%	0.281	18%	0.18	S	C	.	.			trans	-54.5	145.5	170.8	0	0	0	0	0	109.1	E448 Y452 A453	E448-A450 PolarHBondContact O-N 2.82Å; A450-Y452 HydrophobicContact CB-CD1 4.34Å; A450-Y452 HydrophobicContact CB-CD2 4.02Å; A450-Y452 HydrophobicContact CB-CE1 3.94Å; A450-Y452 HydrophobicContact CB-CE2 3.57Å; A450-Y452 HydrophobicContact CB-CG 4.37Å; A450-Y452 PolarHBondContact O-N 2.8Å; A450-A453 HydrophobicContact CB-CB 4.39Å; A450-A453 PolarHBondContact O-N 2.81Å
451	H	53.7	Low	79.8	Confident	112 Å²	112	34.1 Å²	34.1	52%	0.519	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-10.3	-173.8	63.4	-80.7	0	0	0	114.7	K209 Y479	K209-H451 PolarHBondContact NZ-CE1 2.93Å; K209-H451 PolarHBondContact NZ-ND1 2.97Å; H451-Y479 AromaticContact CD2-CE2 3.95Å; H451-Y479 AromaticContact NE2-CE2 3.31Å; H451-Y479 VanDerWaalsContact NE2-CE2 3.31Å; H451-Y479 WeakPolarHBondContact NE2-CE2 3.3Å; H451-Y479 AromaticContact NE2-CZ 3.32Å; H451-Y479 VanDerWaalsContact NE2-CZ 3.32Å; H451-Y479 PolarHBondContact NE2-OH 3.02Å
452	Y	56.6	Low	79.5	Confident	55 Å²	55	35.9 Å²	35.9	22%	0.216	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-10.5	178.2	48.6	-107.4	0	0	0	115.4	A450 R476 S477 Y479	A450-Y452 HydrophobicContact CB-CD1 4.34Å; A450-Y452 HydrophobicContact CB-CD2 4.02Å; A450-Y452 HydrophobicContact CB-CE1 3.94Å; A450-Y452 HydrophobicContact CB-CE2 3.57Å; A450-Y452 HydrophobicContact CB-CG 4.37Å; A450-Y452 PolarHBondContact O-N 2.8Å; Y452-R476 HydrophobicContact CD2-CB 4.12Å; Y452-R476 HydrophobicContact CD2-CG 4.16Å; Y452-R476 HydrophobicContact CE2-CB 4.39Å; Y452-R476 HydrophobicContact CE2-CG 3.97Å; Y452-R476 CarbonylContact O-C 3.51Å; Y452-S477 PolarHBondContact O-OG 3.35Å; Y452-Y479 VanDerWaalsContact CB-CG 3.45Å; Y452-Y479 AromaticContact CD1-CD1 3.59Å; Y452-Y479 HydrophobicContact CD1-CD1 3.59Å; Y452-Y479 HydrophobicContact CD1-CD2 4.27Å; Y452-Y479 AromaticContact CD1-CE1 3.75Å; Y452-Y479 HydrophobicContact CD1-CE1 3.75Å; Y452-Y479 HydrophobicContact CD1-CE2 4.4Å; Y452-Y479 AromaticContact CD1-CG 3.87Å; Y452-Y479 HydrophobicContact CD1-CG 3.87Å; Y452-Y479 HydrophobicContact CE1-CD1 4.23Å; Y452-Y479 HydrophobicContact CE1-CE1 4.18Å; Y452-Y479 AromaticContact CG-CD1 3.91Å; Y452-Y479 HydrophobicContact CG-CD1 3.91Å; Y452-Y479 HydrophobicContact CG-CD2 4.42Å; Y452-Y479 AromaticContact CG-CG 3.86Å; Y452-Y479 HydrophobicContact CG-CG 3.86Å
453	A	65.9	Low	79.2	Confident	10 Å²	10	35 Å²	35	8%	0.083	18%	0.183	C	C	.	.			trans	-84.6	143.6	-176.6	0	0	0	0	0	111.1	M449 A450 D475	M449-A453 VanDerWaalsContact CE-O 3.3Å; M449-A453 WeakPolarHBondContact CE-O 3.36Å; M449-A453 HydrophobicContact CG-CB 3.7Å; M449-A453 WeakPolarHBondContact CG-O 3.49Å; A450-A453 HydrophobicContact CB-CB 4.39Å; A450-A453 PolarHBondContact O-N 2.81Å; A453-D475 CarbonylContact C-O 3.53Å; A453-D475 WeakPolarHBondContact CA-O 3.38Å
454	C	74.8	Confident	79	Confident	68 Å²	68	35.2 Å²	35.2	46%	0.459	19%	0.188	S	C	.	.	S	Bend	trans	-99.2	-29.8	177.5	-64.4	0	0	0	0	113.1	D475	C454-D475 HydrophobicContact CB-CB 4.42Å; C454-D475 PolarHBondContact N-O 2.94Å
455	D	84.2	Confident	78.9	Confident	10 Å²	10	37 Å²	37	5%	0.053	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	150.3	171.8	-166.3	8.1	0	0	0	107.1	N414 L418 Q443 W457 D475	N414-D455 HydrophobicContact CB-CB 4.16Å; N414-D455 WeakPolarHBondContact CB-OD2 3.39Å; N414-D455 PolarHBondContact N-OD2 2.97Å; L418-D455 HydrophobicContact CD2-CB 3.85Å; L418-D455 WeakPolarHBondContact CD2-OD2 3.46Å; Q443-D455 PolarHBondContact NE2-OD1 2.87Å; D455-W457 PolarHBondContact OD1-NE1 2.88Å; D455-W457 PolarHBondContact OD2-NE1 2.97Å; D455-W457 VanDerWaalsContact OD2-NE1 3.14Å; D455-D475 WeakPolarHBondContact O-CB 3.08Å; D455-D475 PolarHBondContact O-N 2.92Å
456	C	91.4	Very high	79.2	Confident	9 Å²	9	37.1 Å²	37.1	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	131.9	178.2	-174	0	0	0	0	110.3	Q443 H444 C473 A474	Q443-C456 CarbonylContact C-O 3.55Å; Q443-C456 VanDerWaalsContact CA-O 3.31Å; Q443-C456 WeakPolarHBondContact CA-O 3.41Å; H444-C456 HydrophobicContact CB-CB 4.02Å; H444-C456 VanDerWaalsContact CE1-SG 3.58Å; H444-C456 PolarHBondContact N-O 2.99Å; C456-C473 WeakPolarHBondContact CA-O 3.06Å; C456-A474 HydrophobicContact CB-CB 4.35Å
457	W	95.8	Very high	80	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.6	178.8	-71.1	79	0	0	0	110.5	L387 V412 I413 I422 F441 R442 Q443 D455 C473	L387-W457 HydrophobicContact CB-CH2 4.39Å; L387-W457 HydrophobicContact CB-CZ3 4.1Å; L387-W457 HydrophobicContact CD2-CE3 4.4Å; L387-W457 HydrophobicContact CD2-CZ3 3.98Å; V412-W457 HydrophobicContact CG1-CH2 3.98Å; V412-W457 HydrophobicContact CG1-CZ2 4.17Å; V412-W457 WeakPolarHBondContact O-CZ2 3.37Å; I413-W457 HydrophobicContact CG1-CH2 4.47Å; I413-W457 HydrophobicContact CG1-CZ2 3.9Å; I422-W457 HydrophobicContact CD1-CB 3.95Å; I422-W457 HydrophobicContact CD1-CD2 4.21Å; I422-W457 HydrophobicContact CD1-CG 3.78Å; I422-W457 HydrophobicContact CG1-CB 4.39Å; F441-W457 HydrophobicContact CB-CE3 3.9Å; F441-W457 HydrophobicContact CB-CZ3 4.49Å; F441-W457 WeakPolarHBondContact O-CZ3 3.15Å; R442-W457 CarbonylContact O-C 3.56Å; R442-W457 WeakPolarHBondContact O-CA 3.23Å; Q443-W457 HydrophobicContact CB-CD2 3.83Å; Q443-W457 HydrophobicContact CB-CE3 3.88Å; Q443-W457 HydrophobicContact CB-CH2 3.81Å; Q443-W457 HydrophobicContact CB-CZ2 3.71Å; Q443-W457 HydrophobicContact CB-CZ3 3.88Å; Q443-W457 HydrophobicContact CG-CD2 4.1Å; Q443-W457 HydrophobicContact CG-CH2 4.39Å; Q443-W457 HydrophobicContact CG-CZ2 3.78Å; D455-W457 PolarHBondContact OD1-NE1 2.88Å; D455-W457 PolarHBondContact OD2-NE1 2.97Å; D455-W457 VanDerWaalsContact OD2-NE1 3.14Å; W457-C473 PolarHBondContact N-O 2.96Å; W457-C473 WeakPolarHBondContact O-CA 3.28Å; W457-C473 VanDerWaalsContact O-CB 3.23Å; W457-C473 WeakPolarHBondContact O-CB 3.21Å; W457-C473 PolarHBondContact O-N 2.85Å
458	D	96.6	Very high	81.4	Confident	10 Å²	10	33.8 Å²	33.8	5%	0.053	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.6	175.3	-62.9	-19.9	0	0	0	109.6	F441 R442 H444 E460 E469 V471	F441-D458 CarbonylContact C-O 3.58Å; F441-D458 VanDerWaalsContact CA-O 3.23Å; F441-D458 WeakPolarHBondContact CA-O 3.45Å; R442-D458 IonicContact CZ-OD2 3.82Å; R442-D458 PolarHBondContact N-O 2.96Å; R442-D458 IonicContact NH2-OD2 3.72Å; R442-D458 PolarHBondContact NH2-OD2 2.8Å; R442-D458 PolarHBondContact O-N 2.8Å; H444-D458 IonicContact CD2-OD1 3.75Å; H444-D458 IonicContact CD2-OD2 2.79Å; H444-D458 PolarHBondContact CD2-OD2 2.76Å; H444-D458 IonicContact CE1-OD1 3.81Å; H444-D458 IonicContact CE1-OD2 3.19Å; H444-D458 IonicContact NE2-OD1 3.59Å; H444-D458 PolarHBondContact NE2-OD1 2.86Å; H444-D458 IonicContact NE2-OD2 3.32Å; H444-D458 PolarHBondContact NE2-OD2 3.04Å; D458-E460 HydrophobicContact CB-CG 4.18Å; D458-E460 PolarHBondContact O-N 3.19Å; D458-E469 HydrophobicContact CB-CB 4.32Å; D458-E469 HydrophobicContact CB-CG 3.83Å; D458-V471 CarbonylContact C-O 3.55Å; D458-V471 WeakPolarHBondContact CA-O 3.45Å
459	A	98.5	Very high	83	Confident	1 Å²	1	34 Å²	34	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	112.8	161.7	0	0	0	0	0	108.5	I425 L429 L439 R440 F441 I470 V471	I425-A459 HydrophobicContact CG2-CB 3.99Å; L429-A459 HydrophobicContact CD1-CB 3.85Å; L439-A459 HydrophobicContact CD1-CB 4.33Å; R440-A459 WeakPolarHBondContact O-CA 3.48Å; F441-A459 HydrophobicContact CD1-CB 3.98Å; F441-A459 HydrophobicContact CE1-CB 3.65Å; F441-A459 HydrophobicContact CZ-CB 4.08Å; A459-I470 WeakPolarHBondContact O-CG1 3.15Å; A459-I470 PolarHBondContact O-N 3.17Å; A459-V471 HydrophobicContact CB-CB 3.9Å; A459-V471 HydrophobicContact CB-CG2 4.41Å; A459-V471 PolarHBondContact N-O 2.94Å; A459-V471 PolarHBondContact O-N 2.97Å
460	E	97.8	Very high	84.7	Confident	15 Å²	15	31.1 Å²	31.1	7%	0.07	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.3	179	-65.4	-177.5	160.2	0	0	110.9	R440 R442 D458 W467 I468 E469	R440-E460 HydrophobicContact CG-CB 4.02Å; R440-E460 IonicContact CZ-OE2 3.42Å; R440-E460 PolarHBondContact N-O 3.38Å; R440-E460 IonicContact NE-OE2 3.53Å; R440-E460 PolarHBondContact NE-OE2 2.83Å; R440-E460 IonicContact NH2-OE2 2.66Å; R440-E460 PolarHBondContact NH2-OE2 3.12Å; R440-E460 PolarHBondContact O-N 2.84Å; R442-E460 HydrophobicContact CB-CG 4.3Å; R442-E460 VanDerWaalsContact CD-OE1 3.24Å; R442-E460 WeakPolarHBondContact CD-OE1 3.09Å; R442-E460 IonicContact CZ-OE1 2.8Å; R442-E460 IonicContact NE-OE1 3.11Å; R442-E460 PolarHBondContact NE-OE1 2.94Å; D458-E460 HydrophobicContact CB-CG 4.18Å; D458-E460 PolarHBondContact O-N 3.19Å; E460-W467 HydrophobicContact CB-CE3 3.99Å; E460-I468 CarbonylContact C-O 3.56Å; E460-I468 WeakPolarHBondContact CA-O 3.33Å; E460-E469 HydrophobicContact CG-CB 4.37Å
461	T	96.6	Very high	86.5	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.6	175.4	56.2	0	0	0	0	112.2	V434 K438 L439 T463 W467 I468 I470 T599	V434-T461 HydrophobicContact CG1-CG2 3.58Å; K438-T461 CarbonylContact O-C 3.42Å; K438-T461 WeakPolarHBondContact O-CA 3.24Å; L439-T461 HydrophobicContact CD1-CG2 3.75Å; T461-T463 PolarHBondContact O-N 2.76Å; T461-W467 WeakPolarHBondContact O-CA 3.21Å; T461-I468 PolarHBondContact N-O 3.01Å; T461-I468 PolarHBondContact O-N 3.15Å; T461-I470 HydrophobicContact CG2-CD1 3.32Å; T461-I470 HydrophobicContact CG2-CG1 4.03Å; T461-I470 WeakPolarHBondContact OG1-CG2 3.3Å; T461-T599 HydrophobicContact CG2-CG2 3.83Å; T461-T599 WeakPolarHBondContact OG1-CG2 3.43Å; T461-T599 PolarHBondContact OG1-OG1 3.43Å
462	K	91.9	Very high	88.6	Confident	37 Å²	37	24.6 Å²	24.6	16%	0.161	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	109	-179.9	-170.2	-170.7	-178.5	-165.3	0	110	Q125 D129 K438 W467 H603	Q125-K462 VanDerWaalsContact OE1-CE 3.26Å; D129-K462 IonicContact OD2-NZ 3.76Å; D129-K462 PolarHBondContact OD2-NZ 3.37Å; K438-K462 HydrophobicContact CB-CB 4.04Å; K438-K462 HydrophobicContact CG-CB 4.44Å; K438-K462 PolarHBondContact O-N 3.33Å; K462-W467 HydrophobicContact CB-CD2 3.97Å; K462-W467 HydrophobicContact CB-CE3 3.9Å; K462-W467 HydrophobicContact CB-CH2 3.8Å; K462-W467 HydrophobicContact CB-CZ2 3.86Å; K462-W467 HydrophobicContact CB-CZ3 3.81Å; K462-W467 HydrophobicContact CD-CZ2 4.11Å; K462-W467 HydrophobicContact CG-CD2 4.42Å; K462-W467 HydrophobicContact CG-CZ2 4.17Å; K462-H603 PolarHBondContact O-NE2 3.02Å
463	T	90.8	Very high	90.4	Very high	8 Å²	8	22 Å²	22	5%	0.049	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	179.3	-179.5	65.7	0	0	0	0	111.1	T461 Y465 G466 I468 E602	T461-T463 PolarHBondContact O-N 2.76Å; T463-Y465 PolarHBondContact O-N 2.81Å; T463-Y465 VanDerWaalsContact O-N 3.11Å; T463-Y465 PolarHBondContact OG1-N 3.22Å; T463-G466 PolarHBondContact N-O 3.25Å; T463-G466 PolarHBondContact O-N 2.8Å; T463-G466 PolarHBondContact OG1-O 2.66Å; T463-I468 HydrophobicContact CG2-CD1 3.73Å; T463-I468 HydrophobicContact CG2-CG1 3.88Å; T463-E602 WeakPolarHBondContact CA-OE2 3.49Å; T463-E602 WeakPolarHBondContact CB-OE2 3.37Å
464	S	87.4	Confident	91.6	Very high	35 Å²	35	22.2 Å²	22.2	25%	0.245	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.6	169.1	73.1	0	0	0	0	113.6	R133 E602	R133-S464 PolarHBondContact NH1-OG 3.03Å; S464-E602 WeakPolarHBondContact CB-OE1 3.45Å; S464-E602 PolarHBondContact N-OE1 2.93Å; S464-E602 PolarHBondContact N-OE2 3.05Å; S464-E602 PolarHBondContact OG-OE1 3.15Å
465	Y	82.4	Confident	92.2	Very high	76 Å²	76	19 Å²	19	30%	0.298	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	5.7	173.2	-64.6	-89.5	0	0	0	113.3	R133 I353 T463 Y598	R133-Y465 VanDerWaalsContact NH1-CZ 3.33Å; I353-Y465 HydrophobicContact CD1-CD1 4.48Å; I353-Y465 HydrophobicContact CD1-CD2 3.26Å; I353-Y465 HydrophobicContact CD1-CE2 3.74Å; I353-Y465 HydrophobicContact CD1-CG 3.69Å; T463-Y465 PolarHBondContact O-N 2.81Å; T463-Y465 VanDerWaalsContact O-N 3.11Å; T463-Y465 PolarHBondContact OG1-N 3.22Å; Y465-Y598 HydrophobicContact CD2-CE1 4.17Å; Y465-Y598 AromaticContact CE2-CE1 3.98Å; Y465-Y598 HydrophobicContact CE2-CE1 3.98Å; Y465-Y598 AromaticContact CE2-CZ 3.97Å; Y465-Y598 WeakPolarHBondContact CE2-OH 3.19Å
466	G	84.4	Confident	91.7	Very high	9 Å²	9	18.9 Å²	18.9	9%	0.093	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.7	-161.4	-171.7	0	0	0	0	0	112.3	T463 I468	T463-G466 PolarHBondContact N-O 3.25Å; T463-G466 PolarHBondContact O-N 2.8Å; T463-G466 PolarHBondContact OG1-O 2.66Å; G466-I468 PolarHBondContact O-N 2.93Å
467	W	86.3	Confident	91.1	Very high	72 Å²	72	19.9 Å²	19.9	27%	0.273	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	120.7	175	-68.2	99.5	0	0	0	109.7	K438 R440 E460 T461 K462	K438-W467 WeakPolarHBondContact O-CZ3 3.29Å; R440-W467 HydrophobicContact CB-CH2 4.13Å; R440-W467 HydrophobicContact CB-CZ3 3.94Å; R440-W467 HydrophobicContact CG-CD2 4.43Å; R440-W467 HydrophobicContact CG-CE3 3.73Å; R440-W467 HydrophobicContact CG-CH2 3.99Å; R440-W467 HydrophobicContact CG-CZ3 3.49Å; R440-W467 VanDerWaalsContact CG-CZ3 3.49Å; E460-W467 HydrophobicContact CB-CE3 3.99Å; T461-W467 WeakPolarHBondContact O-CA 3.21Å; K462-W467 HydrophobicContact CB-CD2 3.97Å; K462-W467 HydrophobicContact CB-CE3 3.9Å; K462-W467 HydrophobicContact CB-CH2 3.8Å; K462-W467 HydrophobicContact CB-CZ2 3.86Å; K462-W467 HydrophobicContact CB-CZ3 3.81Å; K462-W467 HydrophobicContact CD-CZ2 4.11Å; K462-W467 HydrophobicContact CG-CD2 4.42Å; K462-W467 HydrophobicContact CG-CZ2 4.17Å
468	I	90.4	Very high	90	Very high	19 Å²	19	20.9 Å²	20.9	10%	0.097	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.2	176.1	63.2	170.9	0	0	0	109.7	I353 E460 T461 T463 G466 I470	I353-I468 HydrophobicContact CD1-CD1 3.9Å; I353-I468 HydrophobicContact CG1-CD1 3.94Å; I353-I468 HydrophobicContact CG2-CD1 4.16Å; I353-I468 HydrophobicContact CG2-CG2 4.36Å; E460-I468 CarbonylContact C-O 3.56Å; E460-I468 WeakPolarHBondContact CA-O 3.33Å; T461-I468 PolarHBondContact N-O 3.01Å; T461-I468 PolarHBondContact O-N 3.15Å; T463-I468 HydrophobicContact CG2-CD1 3.73Å; T463-I468 HydrophobicContact CG2-CG1 3.88Å; G466-I468 PolarHBondContact O-N 2.93Å; I468-I470 HydrophobicContact CD1-CG2 4.23Å; I468-I470 HydrophobicContact CG1-CG2 4.07Å
469	E	95.4	Very high	89	Confident	71 Å²	71	22.8 Å²	22.8	33%	0.332	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	128.1	172	170	-115.6	157.9	0	0	109.9	D458 E460 R595	D458-E469 HydrophobicContact CB-CB 4.32Å; D458-E469 HydrophobicContact CB-CG 3.83Å; E460-E469 HydrophobicContact CG-CB 4.37Å; E469-R595 WeakPolarHBondContact O-CD 3.45Å; E469-R595 PolarHBondContact O-NH1 3.21Å; E469-R595 IonicContact OE2-NH1 3.58Å; E469-R595 PolarHBondContact OE2-NH1 2.76Å
470	I	97.8	Very high	88.1	Confident	2 Å²	2	23 Å²	23	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-19.5	179.2	63.6	166.4	0	0	0	113.2	L429 A459 T461 I468 G592 R595 I596	L429-I470 HydrophobicContact CD1-CD1 4Å; L429-I470 HydrophobicContact CD1-CG1 4.46Å; L429-I470 HydrophobicContact CD2-CD1 3.75Å; L429-I470 HydrophobicContact CG-CD1 4.5Å; A459-I470 WeakPolarHBondContact O-CG1 3.15Å; A459-I470 PolarHBondContact O-N 3.17Å; T461-I470 HydrophobicContact CG2-CD1 3.32Å; T461-I470 HydrophobicContact CG2-CG1 4.03Å; T461-I470 WeakPolarHBondContact OG1-CG2 3.3Å; I468-I470 HydrophobicContact CD1-CG2 4.23Å; I468-I470 HydrophobicContact CG1-CG2 4.07Å; I470-G592 PolarHBondContact O-N 3.43Å; I470-R595 HydrophobicContact CB-CB 4.25Å; I470-R595 HydrophobicContact CG2-CB 3.78Å; I470-I596 HydrophobicContact CB-CG1 4.07Å; I470-I596 HydrophobicContact CD1-CG1 4.12Å; I470-I596 HydrophobicContact CG1-CG1 4.43Å
471	V	98.6	Very high	87.4	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	125.5	170.7	-174	0	0	0	0	108.7	I425 L429 D458 A459 S590 F591 I596	I425-V471 HydrophobicContact CD1-CG1 3.94Å; I425-V471 HydrophobicContact CG1-CG1 4.23Å; I425-V471 HydrophobicContact CG2-CB 4.18Å; I425-V471 HydrophobicContact CG2-CG1 4.12Å; I425-V471 HydrophobicContact CG2-CG2 4.17Å; L429-V471 HydrophobicContact CD1-CG2 4.29Å; L429-V471 HydrophobicContact CD2-CG2 4.21Å; D458-V471 CarbonylContact C-O 3.55Å; D458-V471 WeakPolarHBondContact CA-O 3.45Å; A459-V471 HydrophobicContact CB-CB 3.9Å; A459-V471 HydrophobicContact CB-CG2 4.41Å; A459-V471 PolarHBondContact N-O 2.94Å; A459-V471 PolarHBondContact O-N 2.97Å; V471-S590 CarbonylContact C-O 3.58Å; V471-S590 WeakPolarHBondContact CA-O 3.46Å; V471-S590 WeakPolarHBondContact CG1-O 3.07Å; V471-F591 HydrophobicContact CB-CD1 4.24Å; V471-F591 HydrophobicContact CG1-CD1 3.74Å; V471-F591 HydrophobicContact CG1-CD2 4.23Å; V471-F591 HydrophobicContact CG1-CE1 3.82Å; V471-F591 HydrophobicContact CG1-CE2 4.33Å; V471-F591 HydrophobicContact CG1-CG 3.95Å; V471-F591 HydrophobicContact CG1-CZ 4.12Å; V471-F591 HydrophobicContact CG2-CB 4.41Å; V471-F591 HydrophobicContact CG2-CD1 3.39Å; V471-F591 HydrophobicContact CG2-CE1 3.9Å; V471-F591 HydrophobicContact CG2-CG 4.07Å; V471-I596 HydrophobicContact CG2-CD1 4.13Å
472	G	96.1	Very high	86.7	Confident	9 Å²	9	27.2 Å²	27.2	9%	0.093	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	140.1	166.2	0	0	0	0	0	110.2	P589 S590	G472-P589 CarbonylContact O-C 3.49Å; G472-P589 WeakPolarHBondContact O-CA 3.38Å; G472-S590 PolarHBondContact N-O 2.91Å; G472-S590 PolarHBondContact O-N 2.9Å
473	C	96	Very high	86	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.007	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	93.4	173.4	-166	0	0	0	0	109.6	I425 C456 W457 E588	I425-C473 HydrophobicContact CD1-CB 3.94Å; C456-C473 WeakPolarHBondContact CA-O 3.06Å; W457-C473 PolarHBondContact N-O 2.96Å; W457-C473 WeakPolarHBondContact O-CA 3.28Å; W457-C473 VanDerWaalsContact O-CB 3.23Å; W457-C473 WeakPolarHBondContact O-CB 3.21Å; W457-C473 PolarHBondContact O-N 2.85Å; C473-E588 CarbonylContact C-O 3.6Å; C473-E588 VanDerWaalsContact CA-O 3.29Å; C473-E588 WeakPolarHBondContact CA-O 3.22Å
474	A	89.8	Confident	85.7	Confident	14 Å²	14	25.7 Å²	25.7	12%	0.116	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.8	-171.5	0	0	0	0	0	112.3	C456 R476 I587 E588	C456-A474 HydrophobicContact CB-CB 4.35Å; A474-R476 HydrophobicContact CB-CG 3.93Å; A474-I587 CarbonylContact O-C 3.54Å; A474-I587 WeakPolarHBondContact O-CA 3.3Å; A474-E588 PolarHBondContact N-O 2.92Å; A474-E588 PolarHBondContact O-N 3.45Å
475	D	87.4	Confident	85.3	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	92.3	163.6	-172.7	-22.3	0	0	0	108.3	K372 A453 C454 D455 S477 S585 V586 I587	K372-D475 IonicContact NZ-OD1 3.14Å; K372-D475 PolarHBondContact NZ-OD1 2.82Å; K372-D475 IonicContact NZ-OD2 3.93Å; K372-D475 PolarHBondContact NZ-OD2 3.45Å; A453-D475 CarbonylContact C-O 3.53Å; A453-D475 WeakPolarHBondContact CA-O 3.38Å; C454-D475 HydrophobicContact CB-CB 4.42Å; C454-D475 PolarHBondContact N-O 2.94Å; D455-D475 WeakPolarHBondContact O-CB 3.08Å; D455-D475 PolarHBondContact O-N 2.92Å; D475-S477 PolarHBondContact O-N 3.02Å; D475-S477 PolarHBondContact OD1-N 3.29Å; D475-S585 PolarHBondContact OD1-OG 3.11Å; D475-V586 CarbonylContact C-O 3.52Å; D475-I587 HydrophobicContact CB-CD1 3.53Å; D475-I587 WeakPolarHBondContact OD2-CD1 3.3Å
476	R	75.4	Confident	85.1	Confident	8 Å²	8	30.2 Å²	30.2	3%	0.03	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	8.4	-173.1	-64	-177.2	63.6	154.5	-1.1	113.6	E311 Y452 A474 C478 D480 V586 E588	E311-R476 IonicContact OE2-NH1 3.42Å; Y452-R476 HydrophobicContact CD2-CB 4.12Å; Y452-R476 HydrophobicContact CD2-CG 4.16Å; Y452-R476 HydrophobicContact CE2-CB 4.39Å; Y452-R476 HydrophobicContact CE2-CG 3.97Å; Y452-R476 CarbonylContact O-C 3.51Å; A474-R476 HydrophobicContact CB-CG 3.93Å; R476-C478 PolarHBondContact O-N 2.86Å; R476-D480 IonicContact CZ-OD2 3.29Å; R476-D480 IonicContact NE-OD2 3.93Å; R476-D480 PolarHBondContact NE-OD2 3.29Å; R476-D480 IonicContact NH2-OD1 3.74Å; R476-D480 PolarHBondContact NH2-OD1 2.99Å; R476-D480 VanDerWaalsContact NH2-OD1 3.11Å; R476-D480 IonicContact NH2-OD2 3.33Å; R476-D480 PolarHBondContact NH2-OD2 3.44Å; R476-V586 PolarHBondContact N-O 3.46Å; R476-E588 WeakPolarHBondContact CD-OE2 3.31Å; R476-E588 HydrophobicContact CG-CB 4.44Å; R476-E588 IonicContact CZ-OE2 3.13Å; R476-E588 IonicContact NE-OE2 2.96Å; R476-E588 IonicContact NH1-OE1 3.53Å; R476-E588 IonicContact NH1-OE2 3.99Å; R476-E588 PolarHBondContact NH1-OE2 3.13Å
477	S	77.3	Confident	84.6	Confident	30 Å²	30	32.6 Å²	32.6	21%	0.21	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.7	-126.5	-173.2	73.7	0	0	0	0	111.4	Y452 D475 S585 V586	Y452-S477 PolarHBondContact O-OG 3.35Å; D475-S477 PolarHBondContact O-N 3.02Å; D475-S477 PolarHBondContact OD1-N 3.29Å; S477-S585 WeakPolarHBondContact CA-OG 3.49Å; S477-S585 CarbonylContact O-C 3.48Å; S477-S585 VanDerWaalsContact O-CA 3.24Å; S477-S585 WeakPolarHBondContact O-CA 3.28Å; S477-V586 PolarHBondContact O-N 3.11Å
478	C	72.3	Confident	84.4	Confident	21 Å²	21	32.7 Å²	32.7	14%	0.142	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	16.8	-174.5	50.1	0	0	0	0	113.1	R476 K482 V583 P584	R476-C478 PolarHBondContact O-N 2.86Å; C478-K482 HydrophobicContact CB-CD 4.29Å; C478-K482 WeakPolarHBondContact O-CB 3.39Å; C478-K482 VanDerWaalsContact O-CG 3.28Å; C478-K482 WeakPolarHBondContact O-CG 3.35Å; C478-K482 PolarHBondContact O-N 2.93Å; C478-K482 VanDerWaalsContact O-N 3.11Å; C478-K482 WeakPolarHBondContact SG-CE 3.47Å; C478-K482 PolarHBondContact SG-NZ 3.47Å; C478-V583 HydrophobicContact CB-CB 4.27Å; C478-V583 HydrophobicContact CB-CG1 3.56Å; C478-P584 WeakPolarHBondContact CB-O 3.27Å
479	Y	75.7	Confident	83.9	Confident	51 Å²	51	38.9 Å²	38.9	20%	0.2	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-52.1	-170.1	174.3	-94.8	0	0	0	113.1	H451 Y452 L481 K482 C483	H451-Y479 AromaticContact CD2-CE2 3.95Å; H451-Y479 AromaticContact NE2-CE2 3.31Å; H451-Y479 VanDerWaalsContact NE2-CE2 3.31Å; H451-Y479 WeakPolarHBondContact NE2-CE2 3.3Å; H451-Y479 AromaticContact NE2-CZ 3.32Å; H451-Y479 VanDerWaalsContact NE2-CZ 3.32Å; H451-Y479 PolarHBondContact NE2-OH 3.02Å; Y452-Y479 VanDerWaalsContact CB-CG 3.45Å; Y452-Y479 AromaticContact CD1-CD1 3.59Å; Y452-Y479 HydrophobicContact CD1-CD1 3.59Å; Y452-Y479 HydrophobicContact CD1-CD2 4.27Å; Y452-Y479 AromaticContact CD1-CE1 3.75Å; Y452-Y479 HydrophobicContact CD1-CE1 3.75Å; Y452-Y479 HydrophobicContact CD1-CE2 4.4Å; Y452-Y479 AromaticContact CD1-CG 3.87Å; Y452-Y479 HydrophobicContact CD1-CG 3.87Å; Y452-Y479 HydrophobicContact CE1-CD1 4.23Å; Y452-Y479 HydrophobicContact CE1-CE1 4.18Å; Y452-Y479 AromaticContact CG-CD1 3.91Å; Y452-Y479 HydrophobicContact CG-CD1 3.91Å; Y452-Y479 HydrophobicContact CG-CD2 4.42Å; Y452-Y479 AromaticContact CG-CG 3.86Å; Y452-Y479 HydrophobicContact CG-CG 3.86Å; Y479-L481 PolarHBondContact O-N 3.24Å; Y479-K482 PolarHBondContact O-N 3.02Å; Y479-C483 VanDerWaalsContact CE2-SG 3.59Å; Y479-C483 VanDerWaalsContact CZ-SG 3.55Å; Y479-C483 WeakPolarHBondContact O-CB 3.48Å; Y479-C483 PolarHBondContact O-N 3.45Å; Y479-C483 PolarHBondContact O-SG 3.14Å
480	D	80.1	Confident	83.4	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-46.6	-175	-67.9	-84.5	0	0	0	112.1	Q314 F317 R476 K482 C483 H484	Q314-D480 PolarHBondContact NE2-OD1 3.07Å; F317-D480 HydrophobicContact CD1-CB 4.2Å; F317-D480 HydrophobicContact CD2-CB 3.53Å; F317-D480 HydrophobicContact CE1-CB 4.21Å; F317-D480 HydrophobicContact CE2-CB 3.53Å; F317-D480 VanDerWaalsContact CE2-CG 3.43Å; F317-D480 HydrophobicContact CG-CB 3.89Å; F317-D480 HydrophobicContact CZ-CB 3.9Å; R476-D480 IonicContact CZ-OD2 3.29Å; R476-D480 IonicContact NE-OD2 3.93Å; R476-D480 PolarHBondContact NE-OD2 3.29Å; R476-D480 IonicContact NH2-OD1 3.74Å; R476-D480 PolarHBondContact NH2-OD1 2.99Å; R476-D480 VanDerWaalsContact NH2-OD1 3.11Å; R476-D480 IonicContact NH2-OD2 3.33Å; R476-D480 PolarHBondContact NH2-OD2 3.44Å; D480-K482 PolarHBondContact O-N 2.91Å; D480-C483 PolarHBondContact O-N 3.38Å; D480-H484 PolarHBondContact O-CD2 3.37Å; D480-H484 VanDerWaalsContact O-CD2 3.27Å; D480-H484 PolarHBondContact O-N 3.37Å
481	L	83.4	Confident	82.8	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-42.2	176.5	-63.6	-179.2	0	0	0	111.8	F317 F320 F366 Y479 A485 L492 V583 P584	F317-L481 HydrophobicContact CB-CD2 4.4Å; F317-L481 HydrophobicContact CD1-CD2 4.17Å; F320-L481 HydrophobicContact CB-CD2 3.91Å; F320-L481 HydrophobicContact CD1-CD2 4.37Å; F320-L481 HydrophobicContact CD2-CD1 4.23Å; F320-L481 HydrophobicContact CD2-CD2 4.13Å; F320-L481 HydrophobicContact CE2-CD1 4.19Å; F320-L481 HydrophobicContact CG-CD2 3.86Å; F320-L481 HydrophobicContact CZ-CD1 4.44Å; F366-L481 HydrophobicContact CD1-CD1 4.19Å; F366-L481 HydrophobicContact CE1-CD1 4.09Å; F366-L481 HydrophobicContact CE1-CD2 4.35Å; F366-L481 HydrophobicContact CE1-CG 4.49Å; Y479-L481 PolarHBondContact O-N 3.24Å; L481-A485 WeakPolarHBondContact O-CB 3.22Å; L481-A485 PolarHBondContact O-N 3.42Å; L481-L492 HydrophobicContact CB-CB 4.27Å; L481-L492 HydrophobicContact CD2-CB 4.2Å; L481-L492 HydrophobicContact CD2-CD1 4.05Å; L481-V583 HydrophobicContact CB-CG1 4.49Å; L481-P584 HydrophobicContact CD1-CB 4.41Å; L481-P584 HydrophobicContact CD1-CG 4.06Å
482	K	81.4	Confident	82.4	Confident	102 Å²	102	42.9 Å²	42.9	44%	0.443	23%	0.228	S	C	.	.	H	α-helix	trans	-66.2	-40.4	177.7	-75.9	177	173.4	175.5	0	112.6	C478 Y479 D480 R486 V583	C478-K482 HydrophobicContact CB-CD 4.29Å; C478-K482 WeakPolarHBondContact O-CB 3.39Å; C478-K482 VanDerWaalsContact O-CG 3.28Å; C478-K482 WeakPolarHBondContact O-CG 3.35Å; C478-K482 PolarHBondContact O-N 2.93Å; C478-K482 VanDerWaalsContact O-N 3.11Å; C478-K482 WeakPolarHBondContact SG-CE 3.47Å; C478-K482 PolarHBondContact SG-NZ 3.47Å; Y479-K482 PolarHBondContact O-N 3.02Å; D480-K482 PolarHBondContact O-N 2.91Å; K482-R486 WeakPolarHBondContact O-CB 2.91Å; K482-R486 VanDerWaalsContact O-CG 3.26Å; K482-R486 WeakPolarHBondContact O-CG 3.43Å; K482-R486 PolarHBondContact O-N 3.06Å; K482-R486 PolarHBondContact O-NE 3.04Å; K482-V583 HydrophobicContact CG-CG1 4.14Å
483	C	78.1	Confident	82.2	Confident	10 Å²	10	44.2 Å²	44.2	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-50.2	178.8	-72.5	0	0	0	0	111.1	T203 Y479 D480 R486 A487	T203-C483 HydrophobicContact CG2-CB 4.21Å; T203-C483 WeakPolarHBondContact CG2-O 3.49Å; Y479-C483 VanDerWaalsContact CE2-SG 3.59Å; Y479-C483 VanDerWaalsContact CZ-SG 3.55Å; Y479-C483 WeakPolarHBondContact O-CB 3.48Å; Y479-C483 PolarHBondContact O-N 3.45Å; Y479-C483 PolarHBondContact O-SG 3.14Å; D480-C483 PolarHBondContact O-N 3.38Å; C483-R486 PolarHBondContact O-N 3.05Å; C483-A487 WeakPolarHBondContact O-CB 3.32Å; C483-A487 PolarHBondContact O-N 3.03Å
484	H	84.9	Confident	82.2	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.019	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-39.4	178.1	-72.7	-55.9	0	0	0	112.8	T203 Q314 D480 R486 A487 T488 L492	T203-H484 WeakPolarHBondContact CG2-ND1 3.48Å; Q314-H484 PolarHBondContact OE1-NE2 2.79Å; D480-H484 PolarHBondContact O-CD2 3.37Å; D480-H484 VanDerWaalsContact O-CD2 3.27Å; D480-H484 PolarHBondContact O-N 3.37Å; H484-R486 PolarHBondContact O-N 3.26Å; H484-A487 PolarHBondContact O-N 3.35Å; H484-T488 WeakPolarHBondContact O-CB 3.3Å; H484-T488 WeakPolarHBondContact O-CG2 3.48Å; H484-T488 PolarHBondContact O-N 3.36Å; H484-T488 PolarHBondContact O-OG1 3.46Å; H484-L492 HydrophobicContact CB-CD1 3.94Å
485	A	79.2	Confident	82.3	Confident	22 Å²	22	49.4 Å²	49.4	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-43.5	176.9	0	0	0	0	0	112.1	L481 K489 V490 L492	L481-A485 WeakPolarHBondContact O-CB 3.22Å; L481-A485 PolarHBondContact O-N 3.42Å; A485-K489 VanDerWaalsContact O-CA 3.29Å; A485-K489 WeakPolarHBondContact O-CA 3.41Å; A485-K489 PolarHBondContact O-N 3.1Å; A485-V490 WeakPolarHBondContact CA-O 3.31Å; A485-V490 VanDerWaalsContact CB-O 3.29Å; A485-V490 WeakPolarHBondContact CB-O 3.49Å; A485-V490 PolarHBondContact O-N 3.02Å; A485-L492 HydrophobicContact CB-CB 4.3Å; A485-L492 HydrophobicContact CB-CG 4.21Å
486	R	77.6	Confident	82.3	Confident	184 Å²	184	52.1 Å²	52.1	69%	0.694	27%	0.268	S	S	*	.	H	α-helix	trans	-65	-46.4	176.2	-74.1	-175	-61.1	176.9	3.8	112.2	K482 C483 H484	K482-R486 WeakPolarHBondContact O-CB 2.91Å; K482-R486 VanDerWaalsContact O-CG 3.26Å; K482-R486 WeakPolarHBondContact O-CG 3.43Å; K482-R486 PolarHBondContact O-N 3.06Å; K482-R486 PolarHBondContact O-NE 3.04Å; C483-R486 PolarHBondContact O-N 3.05Å; H484-R486 PolarHBondContact O-N 3.26Å
487	A	73.5	Confident	83	Confident	58 Å²	58	56.6 Å²	56.6	48%	0.479	30%	0.299	S	S	.	.	H	α-helix	trans	-67.9	-39.2	-176.8	0	0	0	0	0	112.8	T203 C483 H484	T203-A487 HydrophobicContact CG2-CB 3.47Å; T203-A487 VanDerWaalsContact CG2-CB 3.47Å; C483-A487 WeakPolarHBondContact O-CB 3.32Å; C483-A487 PolarHBondContact O-N 3.03Å; H484-A487 PolarHBondContact O-N 3.35Å
488	T	81.4	Confident	83.4	Confident	74 Å²	74	57.3 Å²	57.3	45%	0.454	30%	0.3	S	S	.	.	H	α-helix	trans	-92	-11.1	-176.4	63.7	0	0	0	0	113.7	H484 V490	H484-T488 WeakPolarHBondContact O-CB 3.3Å; H484-T488 WeakPolarHBondContact O-CG2 3.48Å; H484-T488 PolarHBondContact O-N 3.36Å; H484-T488 PolarHBondContact O-OG1 3.46Å; T488-V490 PolarHBondContact O-N 3.26Å; T488-V490 PolarHBondContact OG1-N 3.23Å
489	K	81.2	Confident	84.1	Confident	150 Å²	150	66.8 Å²	66.8	65%	0.652	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	25.5	-169.9	-53.7	-176.1	176.1	-170.6	0	112.9	A485 E529	A485-K489 VanDerWaalsContact O-CA 3.29Å; A485-K489 WeakPolarHBondContact O-CA 3.41Å; A485-K489 PolarHBondContact O-N 3.1Å; K489-E529 IonicContact NZ-OE1 2.89Å; K489-E529 IonicContact NZ-OE2 2.69Å; K489-E529 PolarHBondContact NZ-OE2 3.29Å
490	V	84.5	Confident	84.6	Confident	62 Å²	62	71.9 Å²	71.9	38%	0.376	36%	0.364	S	S	.	.			trans	-109.2	120.5	176.3	179.5	0	0	0	0	109.4	K321 A485 T488 L492	K321-V490 HydrophobicContact CD-CG1 4.04Å; A485-V490 WeakPolarHBondContact CA-O 3.31Å; A485-V490 VanDerWaalsContact CB-O 3.29Å; A485-V490 WeakPolarHBondContact CB-O 3.49Å; A485-V490 PolarHBondContact O-N 3.02Å; T488-V490 PolarHBondContact O-N 3.26Å; T488-V490 PolarHBondContact OG1-N 3.23Å; V490-L492 PolarHBondContact O-N 3.43Å
491	P	84.9	Confident	85	Confident	81 Å²	81	75.2 Å²	75.2	53%	0.526	39%	0.386	S	S	.	.			trans	-67.4	129.3	179.7	26.5	-33.2	0	0	0	111.3
492	L	90.3	Very high	85.1	Confident	14 Å²	14	81.5 Å²	81.5	7%	0.073	41%	0.413	C	S	.	.			trans	-116	71.1	176.2	-59.8	-178.5	0	0	0	109.4	F320 K321 L481 H484 A485 V490	F320-L492 HydrophobicContact CD1-CB 4.06Å; F320-L492 HydrophobicContact CD1-CD2 4.35Å; K321-L492 HydrophobicContact CD-CD2 4.19Å; K321-L492 HydrophobicContact CG-CD2 3.76Å; L481-L492 HydrophobicContact CB-CB 4.27Å; L481-L492 HydrophobicContact CD2-CB 4.2Å; L481-L492 HydrophobicContact CD2-CD1 4.05Å; H484-L492 HydrophobicContact CB-CD1 3.94Å; A485-L492 HydrophobicContact CB-CB 4.3Å; A485-L492 HydrophobicContact CB-CG 4.21Å; V490-L492 PolarHBondContact O-N 3.43Å
493	V	92.9	Very high	85.3	Confident	37 Å²	37	80.1 Å²	80.1	22%	0.224	41%	0.413	C	S	.	.			trans	-129.4	156.8	-176.3	-57.8	0	0	0	0	110.4	E581 V583	V493-E581 HydrophobicContact CG2-CB 4.32Å; V493-E581 HydrophobicContact CG2-CG 4.18Å; V493-V583 HydrophobicContact CG1-CG2 4.02Å
494	A	94.1	Very high	85.6	Confident	3 Å²	3	81.5 Å²	81.5	3%	0.025	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	157.5	166.2	0	0	0	0	0	110.1	L324 L331 E581 V582	L324-A494 HydrophobicContact CD1-CB 4.19Å; L324-A494 HydrophobicContact CD2-CB 3.94Å; L331-A494 HydrophobicContact CD1-CB 3.73Å; L331-A494 HydrophobicContact CG-CB 3.92Å; A494-E581 CarbonylContact O-C 3.52Å; A494-E581 WeakPolarHBondContact O-CA 3.41Å; A494-V582 PolarHBondContact N-O 3.4Å; A494-V582 PolarHBondContact O-N 3.08Å
495	E	92.5	Very high	85.5	Confident	121 Å²	121	86.8 Å²	86.8	57%	0.565	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.2	174.6	-68.3	-179	-175.2	0	0	109.5	E580	E495-E580 WeakPolarHBondContact CA-O 3.36Å
496	K	88.6	Confident	85.6	Confident	56 Å²	56	87.4 Å²	87.4	24%	0.243	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.2	176.7	-177.4	173.7	177.4	-174.7	0	109.5	D368 E371 L498 V579 E580 V582	D368-K496 IonicContact OD2-NZ 3.83Å; D368-K496 PolarHBondContact OD2-NZ 2.8Å; E371-K496 VanDerWaalsContact CD-NZ 3.32Å; E371-K496 IonicContact OE1-NZ 2.8Å; E371-K496 PolarHBondContact OE1-NZ 3.48Å; E371-K496 IonicContact OE2-NZ 3.63Å; K496-L498 PolarHBondContact O-N 2.67Å; K496-V579 CarbonylContact O-C 3.57Å; K496-V579 VanDerWaalsContact O-CA 3.27Å; K496-V579 WeakPolarHBondContact O-CA 3.08Å; K496-E580 HydrophobicContact CB-CG 3.83Å; K496-E580 WeakPolarHBondContact CD-OE1 3.31Å; K496-E580 HydrophobicContact CG-CG 4.44Å; K496-E580 PolarHBondContact N-O 3.22Å; K496-E580 PolarHBondContact O-N 3.01Å; K496-V582 HydrophobicContact CB-CG2 4.17Å
497	P	88.3	Confident	85.9	Confident	102 Å²	102	79.6 Å²	79.6	66%	0.662	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	131.2	174.4	-22	32.9	0	0	0	111
498	L	87.2	Confident	86.6	Confident	45 Å²	45	80.8 Å²	80.8	24%	0.236	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	140.5	172.3	-69.5	172.2	0	0	0	109.5	K496 E500 K502 L577 H578 E580	K496-L498 PolarHBondContact O-N 2.67Å; L498-E500 WeakPolarHBondContact CB-O 3.43Å; L498-E500 PolarHBondContact O-N 3.29Å; L498-K502 HydrophobicContact CD1-CB 4.04Å; L498-L577 HydrophobicContact CD1-CB 4.17Å; L498-L577 WeakPolarHBondContact CD1-O 3.31Å; L498-H578 PolarHBondContact N-O 3.27Å; L498-E580 HydrophobicContact CD2-CB 3.95Å; L498-E580 HydrophobicContact CD2-CG 3.97Å; L498-E580 HydrophobicContact CG-CB 4.36Å
499	K	86.6	Confident	87	Confident	220 Å²	220	77.9 Å²	77.9	96%	0.957	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	-38.9	175.4	-70.4	-178	179.7	175.7	0	111.6
500	E	86.4	Confident	87.5	Confident	159 Å²	159	75.3 Å²	75.3	74%	0.743	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.2	174.5	-65.3	-179.2	177.6	0	0	108.8	L498 K502	L498-E500 WeakPolarHBondContact CB-O 3.43Å; L498-E500 PolarHBondContact O-N 3.29Å; E500-K502 PolarHBondContact O-N 3.18Å
501	P	88.1	Confident	87.8	Confident	73 Å²	73	74.3 Å²	74.3	47%	0.474	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	130.1	178.8	-21.7	32.1	0	0	0	111.5	T576 L577	P501-T576 HydrophobicContact CB-CG2 3.46Å; P501-T576 VanDerWaalsContact CB-CG2 3.46Å; P501-L577 CarbonylContact C-O 3.44Å; P501-L577 VanDerWaalsContact CA-O 3.27Å; P501-L577 WeakPolarHBondContact CA-O 3.33Å
502	K	85.4	Confident	88.2	Confident	134 Å²	134	74.3 Å²	74.3	58%	0.583	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.9	-179	-170.9	178.5	-179.4	179.9	0	110.1	L498 E500 V504 L577	L498-K502 HydrophobicContact CD1-CB 4.04Å; E500-K502 PolarHBondContact O-N 3.18Å; K502-V504 HydrophobicContact CD-CG1 4.27Å; K502-V504 HydrophobicContact CG-CG1 4.18Å; K502-L577 PolarHBondContact N-O 3.21Å; K502-L577 PolarHBondContact O-N 3.15Å
503	T	85.8	Confident	88.3	Confident	73 Å²	73	81 Å²	81	45%	0.448	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.8	170.4	-53.8	0	0	0	0	109.5	Q574	T503-Q574 HydrophobicContact CG2-CB 3.76Å; T503-Q574 HydrophobicContact CG2-CG 3.94Å
504	V	83.7	Confident	88.2	Confident	39 Å²	39	81.2 Å²	81.2	24%	0.236	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139	173.3	-65.9	0	0	0	0	109.9	K502 V506 K575 L577	K502-V504 HydrophobicContact CD-CG1 4.27Å; K502-V504 HydrophobicContact CG-CG1 4.18Å; V504-V506 HydrophobicContact CG2-CG2 3.93Å; V504-K575 HydrophobicContact CG2-CB 4.25Å; V504-K575 WeakPolarHBondContact CG2-O 3.45Å; V504-K575 PolarHBondContact N-O 3.48Å; V504-K575 PolarHBondContact O-N 3.14Å; V504-L577 HydrophobicContact CG1-CD1 4.14Å; V504-L577 HydrophobicContact CG2-CD1 3.74Å; V504-L577 HydrophobicContact CG2-CG 3.94Å
505	N	82.8	Confident	88.1	Confident	115 Å²	115	81.9 Å²	81.9	62%	0.615	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.1	169.4	-62.3	-39.6	0	0	0	107.2	Q574	N505-Q574 VanDerWaalsContact OD1-CG 3.31Å; N505-Q574 WeakPolarHBondContact OD1-CG 3.41Å; N505-Q574 PolarHBondContact OD1-NE2 3.38Å
506	V	81.9	Confident	88.1	Confident	36 Å²	36	76.1 Å²	76.1	22%	0.218	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.6	178	-177.8	0	0	0	0	108.3	V504 R572 F573 K575	V504-V506 HydrophobicContact CG2-CG2 3.93Å; V506-R572 WeakPolarHBondContact O-CA 3.31Å; V506-F573 HydrophobicContact CB-CE1 4.14Å; V506-F573 HydrophobicContact CB-CE2 4.46Å; V506-F573 HydrophobicContact CB-CZ 4.09Å; V506-F573 HydrophobicContact CG1-CE1 4.09Å; V506-F573 HydrophobicContact CG1-CZ 4.08Å; V506-F573 PolarHBondContact N-O 3.33Å; V506-F573 PolarHBondContact O-N 3.33Å; V506-K575 HydrophobicContact CG2-CB 3.88Å
507	V	84	Confident	88.2	Confident	20 Å²	20	74.8 Å²	74.8	12%	0.121	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.5	170.9	-171.6	0	0	0	0	107.1	E536 I539 V570 R572	V507-E536 HydrophobicContact CB-CG 4.01Å; V507-E536 HydrophobicContact CG2-CG 3.95Å; V507-E536 VanDerWaalsContact CG2-OE1 3.28Å; V507-E536 WeakPolarHBondContact CG2-OE1 3.3Å; V507-I539 HydrophobicContact CG1-CB 4.44Å; V507-I539 HydrophobicContact CG1-CG2 3.77Å; V507-I539 WeakPolarHBondContact O-CD1 3.49Å; V507-V570 HydrophobicContact CG1-CG1 3.75Å; V507-R572 HydrophobicContact CG1-CG 4.11Å; V507-R572 HydrophobicContact CG2-CG 4.04Å
508	Q	87.9	Confident	88.4	Confident	83 Å²	83	78.3 Å²	78.3	39%	0.388	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.5	179.3	69.1	-177.1	13.9	0	0	110.7	K571 F573	Q508-K571 HydrophobicContact CG-CB 4.42Å; Q508-K571 PolarHBondContact N-O 3.44Å; Q508-K571 PolarHBondContact O-N 2.94Å; Q508-F573 HydrophobicContact CG-CE1 4Å
509	F	89.7	Confident	88.6	Confident	12 Å²	12	78.6 Å²	78.6	5%	0.053	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	140.4	166.9	-72	-59.1	0	0	0	110.9	P511 L531 C534 F538 I539 Q542 F552 V568 G569 V570	F509-P511 VanDerWaalsContact O-CD 3.25Å; F509-P511 WeakPolarHBondContact O-CD 3.43Å; F509-L531 HydrophobicContact CB-CB 4.3Å; F509-L531 HydrophobicContact CB-CD2 4.41Å; F509-L531 HydrophobicContact CD2-CB 4.16Å; F509-L531 HydrophobicContact CD2-CD2 3.49Å; F509-L531 VanDerWaalsContact CD2-CD2 3.49Å; F509-L531 HydrophobicContact CD2-CG 4.44Å; F509-L531 HydrophobicContact CE2-CD2 3.73Å; F509-L531 HydrophobicContact CG-CD2 3.91Å; F509-L531 HydrophobicContact CZ-CD2 4.35Å; F509-C534 HydrophobicContact CD2-CB 4.17Å; F509-C534 HydrophobicContact CE2-CB 3.89Å; F509-F538 HydrophobicContact CE2-CD1 4.33Å; F509-F538 HydrophobicContact CE2-CE1 4.41Å; F509-I539 HydrophobicContact CD1-CG2 4.24Å; F509-I539 HydrophobicContact CD2-CG1 3.81Å; F509-I539 HydrophobicContact CE1-CG2 4.01Å; F509-I539 HydrophobicContact CE2-CB 4.32Å; F509-I539 HydrophobicContact CE2-CG1 3.56Å; F509-I539 HydrophobicContact CG-CG1 4.41Å; F509-I539 HydrophobicContact CZ-CB 4.19Å; F509-I539 HydrophobicContact CZ-CG1 3.94Å; F509-I539 HydrophobicContact CZ-CG2 4.16Å; F509-Q542 HydrophobicContact CE1-CB 4.3Å; F509-Q542 HydrophobicContact CZ-CB 3.82Å; F509-Q542 HydrophobicContact CZ-CG 4.21Å; F509-F552 HydrophobicContact CE1-CZ 4.15Å; F509-F552 HydrophobicContact CZ-CE2 4.37Å; F509-F552 HydrophobicContact CZ-CZ 4.04Å; F509-V568 HydrophobicContact CB-CG1 3.89Å; F509-V568 HydrophobicContact CD1-CG1 3.35Å; F509-V568 HydrophobicContact CE1-CG1 4.09Å; F509-V568 HydrophobicContact CG-CG1 3.84Å; F509-G569 CarbonylContact C-O 3.46Å; F509-G569 WeakPolarHBondContact CA-O 3.44Å; F509-V570 HydrophobicContact CD1-CG2 3.75Å; F509-V570 HydrophobicContact CE1-CG2 3.85Å
510	E	91	Very high	88.9	Confident	97 Å²	97	70.6 Å²	70.6	45%	0.453	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	86.2	172.1	-169.9	165.7	-128.3	0	0	108.3	G569 K571	E510-G569 PolarHBondContact N-O 2.91Å; E510-G569 PolarHBondContact O-N 2.82Å; E510-K571 HydrophobicContact CB-CB 4.24Å; E510-K571 IonicContact OE1-NZ 3.41Å; E510-K571 PolarHBondContact OE1-NZ 3.29Å
511	P	91.9	Very high	89.2	Confident	40 Å²	40	71 Å²	71	26%	0.26	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.9	-176.6	27.2	-33.2	0	0	0	111.9	F509 K513 I516 L531	F509-P511 VanDerWaalsContact O-CD 3.25Å; F509-P511 WeakPolarHBondContact O-CD 3.43Å; P511-K513 PolarHBondContact O-N 2.97Å; P511-K513 VanDerWaalsContact O-N 3.09Å; P511-I516 HydrophobicContact CB-CD1 3.59Å; P511-L531 HydrophobicContact CB-CD1 4.2Å
512	N	93.3	Very high	89.2	Confident	81 Å²	81	76 Å²	76	43%	0.433	39%	0.392	S	S	.	.			trans	-77	92.6	169	-176.2	-15.6	0	0	0	109.9	G514 A515 I516 D566 M567	N512-G514 PolarHBondContact O-N 2.84Å; N512-G514 VanDerWaalsContact O-N 3.09Å; N512-G514 PolarHBondContact OD1-N 2.94Å; N512-A515 HydrophobicContact CB-CB 4.11Å; N512-A515 PolarHBondContact O-N 3.25Å; N512-A515 VanDerWaalsContact O-N 3.09Å; N512-A515 PolarHBondContact OD1-N 3.46Å; N512-I516 WeakPolarHBondContact O-CG1 3.34Å; N512-I516 PolarHBondContact O-N 3.39Å; N512-D566 WeakPolarHBondContact CB-O 3.33Å; N512-D566 PolarHBondContact ND2-O 3.48Å; N512-M567 WeakPolarHBondContact CB-O 3.44Å; N512-M567 PolarHBondContact N-O 2.97Å
513	K	91.5	Very high	89.4	Confident	156 Å²	156	71.6 Å²	71.6	68%	0.678	37%	0.374	S	S	*	.	H	α-helix	trans	-53	-33.7	-178.7	-60.5	-172.1	178.2	179.5	0	113.4	P511 G517 M528	P511-K513 PolarHBondContact O-N 2.97Å; P511-K513 VanDerWaalsContact O-N 3.09Å; K513-G517 WeakPolarHBondContact O-CA 3.47Å; K513-G517 PolarHBondContact O-N 3.08Å; K513-M528 HydrophobicContact CB-SD 4.37Å; K513-M528 HydrophobicContact CD-SD 4.46Å; K513-M528 HydrophobicContact CG-SD 3.87Å
514	G	91.7	Very high	89.6	Confident	40 Å²	40	68.3 Å²	68.3	41%	0.412	36%	0.355	S	S	.	.	H	α-helix	trans	-70.2	-43.9	179.4	0	0	0	0	0	112.8	N512 K518	N512-G514 PolarHBondContact O-N 2.84Å; N512-G514 VanDerWaalsContact O-N 3.09Å; N512-G514 PolarHBondContact OD1-N 2.94Å; G514-K518 WeakPolarHBondContact O-CB 3.35Å; G514-K518 VanDerWaalsContact O-CG 3.23Å; G514-K518 WeakPolarHBondContact O-CG 3.36Å; G514-K518 PolarHBondContact O-N 3.09Å; G514-K518 VanDerWaalsContact O-N 3.11Å
515	A	92.1	Very high	89.8	Confident	18 Å²	18	72.8 Å²	72.8	15%	0.149	37%	0.371	C	S	.	.	H	α-helix	trans	-70.6	-49.6	179.1	0	0	0	0	0	111.5	N512 G517 K518 A519 M567	N512-A515 HydrophobicContact CB-CB 4.11Å; N512-A515 PolarHBondContact O-N 3.25Å; N512-A515 VanDerWaalsContact O-N 3.09Å; N512-A515 PolarHBondContact OD1-N 3.46Å; A515-G517 VanDerWaalsContact C-N 3.33Å; A515-G517 PolarHBondContact O-N 2.81Å; A515-K518 PolarHBondContact O-N 2.87Å; A515-A519 PolarHBondContact O-N 2.95Å; A515-M567 HydrophobicContact CB-CG 3.9Å
516	I	92	Very high	90.1	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.6	-42.7	177.4	-60.1	174.1	0	0	0	110.5	P511 N512 K518 A519 Y520 A524 A527 M528 L531 M567 V568	P511-I516 HydrophobicContact CB-CD1 3.59Å; N512-I516 WeakPolarHBondContact O-CG1 3.34Å; N512-I516 PolarHBondContact O-N 3.39Å; I516-K518 VanDerWaalsContact C-N 3.35Å; I516-K518 PolarHBondContact O-N 2.95Å; I516-A519 PolarHBondContact O-N 3.19Å; I516-Y520 HydrophobicContact CG2-CD2 3.94Å; I516-Y520 PolarHBondContact O-N 3.16Å; I516-A524 HydrophobicContact CG2-CB 3.9Å; I516-A527 HydrophobicContact CG2-CB 4.38Å; I516-M528 HydrophobicContact CD1-CG 4.36Å; I516-M528 HydrophobicContact CG2-CG 4.39Å; I516-L531 HydrophobicContact CD1-CD1 4.3Å; I516-M567 WeakPolarHBondContact CD1-O 3.4Å; I516-M567 HydrophobicContact CG1-CB 3.8Å; I516-M567 HydrophobicContact CG1-CG 4.24Å; I516-V568 HydrophobicContact CD1-CG2 4.02Å
517	G	91.6	Very high	90.3	Very high	28 Å²	28	67 Å²	67	29%	0.289	34%	0.339	S	S	.	.	H	α-helix	trans	-61.8	-38.8	177.6	0	0	0	0	0	113.4	K513 A515 K521	K513-G517 WeakPolarHBondContact O-CA 3.47Å; K513-G517 PolarHBondContact O-N 3.08Å; A515-G517 VanDerWaalsContact C-N 3.33Å; A515-G517 PolarHBondContact O-N 2.81Å; G517-K521 VanDerWaalsContact O-CA 3.29Å; G517-K521 WeakPolarHBondContact O-CA 3.26Å; G517-K521 PolarHBondContact O-N 3.29Å
518	K	92.7	Very high	90.5	Very high	176 Å²	176	68.6 Å²	68.6	77%	0.765	35%	0.346	S	S	*	.	H	α-helix	trans	-69.4	-41.4	175.3	-76.4	173.7	-177.1	-179.9	0	112.2	G514 A515 I516	G514-K518 WeakPolarHBondContact O-CB 3.35Å; G514-K518 VanDerWaalsContact O-CG 3.23Å; G514-K518 WeakPolarHBondContact O-CG 3.36Å; G514-K518 PolarHBondContact O-N 3.09Å; G514-K518 VanDerWaalsContact O-N 3.11Å; A515-K518 PolarHBondContact O-N 2.87Å; I516-K518 VanDerWaalsContact C-N 3.35Å; I516-K518 PolarHBondContact O-N 2.95Å
519	A	91.5	Very high	90.4	Very high	51 Å²	51	68 Å²	68	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-70.6	-46.8	-178.4	0	0	0	0	0	112.5	A515 I516 M567	A515-A519 PolarHBondContact O-N 2.95Å; I516-A519 PolarHBondContact O-N 3.19Å; A519-M567 HydrophobicContact CB-CE 3.6Å; A519-M567 HydrophobicContact CB-SD 4.18Å
520	Y	92.3	Very high	90.2	Very high	52 Å²	52	70.5 Å²	70.5	20%	0.204	35%	0.352	C	S	.	.	H	α-helix	trans	-110	-6.8	-167.7	-62.6	-69.5	0	0	0	114.8	I516 K522 D523 F561 T562 L563 M567	I516-Y520 HydrophobicContact CG2-CD2 3.94Å; I516-Y520 PolarHBondContact O-N 3.16Å; Y520-K522 PolarHBondContact O-N 2.93Å; Y520-K522 VanDerWaalsContact O-N 3.12Å; Y520-D523 PolarHBondContact O-N 3.18Å; Y520-F561 AromaticContact CD1-CD1 3.6Å; Y520-F561 HydrophobicContact CD1-CD1 3.6Å; Y520-F561 HydrophobicContact CD1-CE1 4.08Å; Y520-F561 HydrophobicContact CD2-CD1 4.31Å; Y520-F561 HydrophobicContact CE1-CB 4.41Å; Y520-F561 AromaticContact CE1-CD1 3.79Å; Y520-F561 HydrophobicContact CE1-CD1 3.79Å; Y520-F561 HydrophobicContact CE2-CD1 4.47Å; Y520-F561 AromaticContact CG-CD1 3.89Å; Y520-F561 HydrophobicContact CG-CD1 3.89Å; Y520-F561 HydrophobicContact CG-CE1 4.28Å; Y520-T562 VanDerWaalsContact OH-C 3.3Å; Y520-T562 PolarHBondContact OH-N 2.96Å; Y520-T562 PolarHBondContact OH-O 2.99Å; Y520-L563 HydrophobicContact CE2-CD2 4.26Å; Y520-M567 HydrophobicContact CE2-SD 3.9Å
521	K	91.8	Very high	90	Very high	168 Å²	168	66.2 Å²	66.2	73%	0.73	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	49.8	-116.6	175.9	-59	178.6	-178.1	175.2	0	111.9	G517 D523 A524	G517-K521 VanDerWaalsContact O-CA 3.29Å; G517-K521 WeakPolarHBondContact O-CA 3.26Å; G517-K521 PolarHBondContact O-N 3.29Å; K521-D523 PolarHBondContact O-N 2.58Å; K521-A524 VanDerWaalsContact O-CB 3.28Å; K521-A524 WeakPolarHBondContact O-CB 3.29Å; K521-A524 PolarHBondContact O-N 2.85Å
522	K	88.7	Confident	89.7	Confident	178 Å²	178	68.3 Å²	68.3	77%	0.774	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-62.5	-24.3	-179.7	63.2	176.9	-177.1	177.7	0	113.5	Y520	Y520-K522 PolarHBondContact O-N 2.93Å; Y520-K522 VanDerWaalsContact O-N 3.12Å
523	D	89.6	Confident	89	Confident	40 Å²	40	70.2 Å²	70.2	21%	0.214	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-93.8	-7.1	-176.4	-62.9	-32.2	0	0	0	112.5	Y520 K521 K525 L526 K559 F561	Y520-D523 PolarHBondContact O-N 3.18Å; K521-D523 PolarHBondContact O-N 2.58Å; D523-K525 PolarHBondContact O-N 2.97Å; D523-K525 VanDerWaalsContact O-N 3.15Å; D523-L526 WeakPolarHBondContact O-CB 3.4Å; D523-L526 PolarHBondContact O-N 2.66Å; D523-K559 IonicContact OD1-NZ 2.88Å; D523-K559 PolarHBondContact OD1-NZ 2.68Å; D523-K559 IonicContact OD2-NZ 2.7Å; D523-K559 PolarHBondContact OD2-NZ 2.87Å; D523-F561 HydrophobicContact CB-CE1 3.9Å; D523-F561 HydrophobicContact CB-CZ 4.22Å; D523-F561 WeakPolarHBondContact O-CE1 3.45Å
524	A	89.1	Confident	88.3	Confident	4 Å²	4	64 Å²	64	3%	0.033	34%	0.343	C	S	.	.	H	α-helix	trans	-56.7	-32	176.8	0	0	0	0	0	112.9	I516 K521 L526 A527 M528	I516-A524 HydrophobicContact CG2-CB 3.9Å; K521-A524 VanDerWaalsContact O-CB 3.28Å; K521-A524 WeakPolarHBondContact O-CB 3.29Å; K521-A524 PolarHBondContact O-N 2.85Å; A524-L526 VanDerWaalsContact C-N 3.32Å; A524-L526 PolarHBondContact O-N 2.71Å; A524-A527 PolarHBondContact O-N 2.79Å; A524-M528 HydrophobicContact CB-CE 4.39Å; A524-M528 WeakPolarHBondContact O-CE 3.29Å; A524-M528 WeakPolarHBondContact O-CG 3.2Å; A524-M528 PolarHBondContact O-N 3.26Å
525	K	88.8	Confident	87.3	Confident	134 Å²	134	66.7 Å²	66.7	58%	0.583	35%	0.348	S	S	*	.	H	α-helix	trans	-62.6	-38.7	178.2	-174.6	175.2	171.8	-180	0	112.1	D523 M528 E529	D523-K525 PolarHBondContact O-N 2.97Å; D523-K525 VanDerWaalsContact O-N 3.15Å; K525-M528 PolarHBondContact O-N 2.85Å; K525-E529 WeakPolarHBondContact CE-OE1 2.94Å; K525-E529 HydrophobicContact CG-CG 4.48Å; K525-E529 IonicContact NZ-OE1 3.84Å; K525-E529 WeakPolarHBondContact O-CB 3.14Å; K525-E529 WeakPolarHBondContact O-CG 3.44Å; K525-E529 PolarHBondContact O-N 2.91Å
526	L	88.3	Confident	86.5	Confident	30 Å²	30	71.4 Å²	71.4	16%	0.157	37%	0.367	C	S	.	.	H	α-helix	trans	-66.4	-45.2	180	-63.5	174	0	0	0	111.3	D523 A524 M528 E529 Y530 T556 E557 K559 F561	D523-L526 WeakPolarHBondContact O-CB 3.4Å; D523-L526 PolarHBondContact O-N 2.66Å; A524-L526 VanDerWaalsContact C-N 3.32Å; A524-L526 PolarHBondContact O-N 2.71Å; L526-M528 PolarHBondContact O-N 3.09Å; L526-E529 PolarHBondContact O-N 2.8Å; L526-Y530 PolarHBondContact O-N 3.02Å; L526-T556 HydrophobicContact CB-CG2 4.23Å; L526-E557 HydrophobicContact CD2-CG 4.42Å; L526-E557 VanDerWaalsContact CD2-OE2 3.23Å; L526-E557 WeakPolarHBondContact CD2-OE2 3.31Å; L526-K559 HydrophobicContact CD1-CD 4.22Å; L526-F561 HydrophobicContact CB-CE2 4.32Å; L526-F561 HydrophobicContact CB-CZ 3.86Å; L526-F561 HydrophobicContact CD1-CZ 4.37Å
527	A	87.1	Confident	85.4	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-61.5	-42.7	175.3	0	0	0	0	0	111.9	I516 A524 Y530 L531 I554 F561	I516-A527 HydrophobicContact CG2-CB 4.38Å; A524-A527 PolarHBondContact O-N 2.79Å; A527-Y530 PolarHBondContact O-N 2.91Å; A527-L531 VanDerWaalsContact O-CG 3.26Å; A527-L531 WeakPolarHBondContact O-CG 3.43Å; A527-L531 PolarHBondContact O-N 3.32Å; A527-I554 HydrophobicContact CB-CD1 4.4Å; A527-F561 HydrophobicContact CB-CB 4.41Å; A527-F561 HydrophobicContact CB-CD1 3.79Å; A527-F561 HydrophobicContact CB-CD2 4.43Å; A527-F561 HydrophobicContact CB-CE1 4.1Å; A527-F561 HydrophobicContact CB-CG 3.97Å
528	M	87.9	Confident	84.6	Confident	53 Å²	53	76.1 Å²	76.1	26%	0.261	39%	0.389	S	S	.	.	H	α-helix	trans	-67.2	-39.1	178	-72.1	-173.6	-68.8	0	0	113.1	K513 I516 A524 K525 L526 Y530 A532	K513-M528 HydrophobicContact CB-SD 4.37Å; K513-M528 HydrophobicContact CD-SD 4.46Å; K513-M528 HydrophobicContact CG-SD 3.87Å; I516-M528 HydrophobicContact CD1-CG 4.36Å; I516-M528 HydrophobicContact CG2-CG 4.39Å; A524-M528 HydrophobicContact CB-CE 4.39Å; A524-M528 WeakPolarHBondContact O-CE 3.29Å; A524-M528 WeakPolarHBondContact O-CG 3.2Å; A524-M528 PolarHBondContact O-N 3.26Å; K525-M528 PolarHBondContact O-N 2.85Å; L526-M528 PolarHBondContact O-N 3.09Å; M528-Y530 VanDerWaalsContact C-N 3.34Å; M528-A532 PolarHBondContact O-N 3.28Å
529	E	85.6	Confident	84.2	Confident	70 Å²	70	67.9 Å²	67.9	33%	0.327	35%	0.354	S	S	.	.	H	α-helix	trans	-65.8	-37.9	176	-76.2	-175.7	-165.9	0	0	111.3	K489 K525 L526 A532	K489-E529 IonicContact NZ-OE1 2.89Å; K489-E529 IonicContact NZ-OE2 2.69Å; K489-E529 PolarHBondContact NZ-OE2 3.29Å; K525-E529 WeakPolarHBondContact CE-OE1 2.94Å; K525-E529 HydrophobicContact CG-CG 4.48Å; K525-E529 IonicContact NZ-OE1 3.84Å; K525-E529 WeakPolarHBondContact O-CB 3.14Å; K525-E529 WeakPolarHBondContact O-CG 3.44Å; K525-E529 PolarHBondContact O-N 2.91Å; L526-E529 PolarHBondContact O-N 2.8Å; E529-A532 PolarHBondContact O-N 3.4Å
530	Y	86.1	Confident	83.6	Confident	65 Å²	65	67.5 Å²	67.5	26%	0.255	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-48.7	175.3	-173.4	-87.1	0	0	0	112.4	L526 A527 M528 A532 V533 C534 F538 I554 E555 T556	L526-Y530 PolarHBondContact O-N 3.02Å; A527-Y530 PolarHBondContact O-N 2.91Å; M528-Y530 VanDerWaalsContact C-N 3.34Å; Y530-A532 PolarHBondContact O-N 3.36Å; Y530-A532 VanDerWaalsContact O-N 3.16Å; Y530-V533 VanDerWaalsContact O-CG2 3.22Å; Y530-V533 WeakPolarHBondContact O-CG2 3.46Å; Y530-V533 PolarHBondContact O-N 3.48Å; Y530-V533 VanDerWaalsContact O-N 3.13Å; Y530-C534 PolarHBondContact O-SG 3.43Å; Y530-C534 VanDerWaalsContact O-SG 3.35Å; Y530-F538 HydrophobicContact CE1-CE1 4.33Å; Y530-F538 HydrophobicContact CE1-CZ 4.47Å; Y530-I554 HydrophobicContact CD1-CB 3.99Å; Y530-I554 HydrophobicContact CD1-CD1 3.49Å; Y530-I554 VanDerWaalsContact CD1-CD1 3.49Å; Y530-I554 HydrophobicContact CD1-CG1 4.29Å; Y530-I554 HydrophobicContact CD1-CG2 4.1Å; Y530-I554 HydrophobicContact CE1-CB 3.73Å; Y530-I554 HydrophobicContact CE1-CD1 4.16Å; Y530-I554 HydrophobicContact CE1-CG2 3.69Å; Y530-I554 HydrophobicContact CG-CD1 4Å; Y530-E555 WeakPolarHBondContact CE2-O 3.02Å; Y530-T556 HydrophobicContact CD2-CG2 4.27Å; Y530-T556 HydrophobicContact CG-CG2 4.41Å
531	L	87	Confident	82.9	Confident	6 Å²	6	70 Å²	70	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-60.9	-26.7	179.9	-70	168.4	0	0	0	113.3	F509 P511 I516 A527 V533 F552 I554 L563 V568	F509-L531 HydrophobicContact CB-CB 4.3Å; F509-L531 HydrophobicContact CB-CD2 4.41Å; F509-L531 HydrophobicContact CD2-CB 4.16Å; F509-L531 HydrophobicContact CD2-CD2 3.49Å; F509-L531 VanDerWaalsContact CD2-CD2 3.49Å; F509-L531 HydrophobicContact CD2-CG 4.44Å; F509-L531 HydrophobicContact CE2-CD2 3.73Å; F509-L531 HydrophobicContact CG-CD2 3.91Å; F509-L531 HydrophobicContact CZ-CD2 4.35Å; P511-L531 HydrophobicContact CB-CD1 4.2Å; I516-L531 HydrophobicContact CD1-CD1 4.3Å; A527-L531 VanDerWaalsContact O-CG 3.26Å; A527-L531 WeakPolarHBondContact O-CG 3.43Å; A527-L531 PolarHBondContact O-N 3.32Å; L531-V533 VanDerWaalsContact C-N 3.3Å; L531-V533 PolarHBondContact O-N 3.46Å; L531-F552 HydrophobicContact CD2-CE2 4.44Å; L531-F552 HydrophobicContact CD2-CZ 3.96Å; L531-I554 HydrophobicContact CG-CD1 4.42Å; L531-L563 HydrophobicContact CD1-CD1 3.84Å; L531-L563 HydrophobicContact CD2-CD1 3.69Å; L531-L563 HydrophobicContact CG-CD1 4.07Å; L531-V568 HydrophobicContact CD1-CG1 4.48Å; L531-V568 HydrophobicContact CD1-CG2 3.59Å; L531-V568 HydrophobicContact CD2-CG1 4.48Å
532	A	84	Confident	82.6	Confident	85 Å²	85	62.8 Å²	62.8	70%	0.702	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.7	-179.5	0	0	0	0	0	113.9	M528 E529 Y530	M528-A532 PolarHBondContact O-N 3.28Å; E529-A532 PolarHBondContact O-N 3.4Å; Y530-A532 PolarHBondContact O-N 3.36Å; Y530-A532 VanDerWaalsContact O-N 3.16Å
533	V	78.6	Confident	82.5	Confident	121 Å²	121	56.3 Å²	56.3	73%	0.733	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	5.1	-175	-60.9	0	0	0	0	113.6	Y530 L531	Y530-V533 VanDerWaalsContact O-CG2 3.22Å; Y530-V533 WeakPolarHBondContact O-CG2 3.46Å; Y530-V533 PolarHBondContact O-N 3.48Å; Y530-V533 VanDerWaalsContact O-N 3.13Å; L531-V533 VanDerWaalsContact C-N 3.3Å; L531-V533 PolarHBondContact O-N 3.46Å
534	C	76.8	Confident	82.2	Confident	25 Å²	25	60.3 Å²	60.3	17%	0.169	32%	0.323	C	S	.	.			trans	-70.1	140.8	176.7	-65	0	0	0	0	111.9	F509 Y530 F538 I539	F509-C534 HydrophobicContact CD2-CB 4.17Å; F509-C534 HydrophobicContact CE2-CB 3.89Å; Y530-C534 PolarHBondContact O-SG 3.43Å; Y530-C534 VanDerWaalsContact O-SG 3.35Å; C534-F538 HydrophobicContact CB-CD1 3.82Å; C534-F538 HydrophobicContact CB-CE1 4.46Å; C534-I539 HydrophobicContact CB-CD1 4.33Å; C534-I539 HydrophobicContact CB-CG1 3.94Å; C534-I539 WeakPolarHBondContact O-CD1 3.31Å
535	D	72.6	Confident	81.9	Confident	97 Å²	97	63.3 Å²	63.3	52%	0.519	34%	0.338	S	S	.	.			trans	-80.8	165.3	174.9	66.2	87.3	0	0	0	112.9	C537 F538 I539	D535-C537 VanDerWaalsContact C-N 3.32Å; D535-C537 PolarHBondContact O-N 2.87Å; D535-C537 WeakPolarHBondContact OD1-CA 3.48Å; D535-C537 VanDerWaalsContact OD1-CB 3.26Å; D535-C537 WeakPolarHBondContact OD1-CB 3.43Å; D535-C537 PolarHBondContact OD1-N 3.22Å; D535-F538 PolarHBondContact O-N 3.47Å; D535-F538 PolarHBondContact OD1-N 3.48Å; D535-I539 WeakPolarHBondContact O-CD1 3.32Å; D535-I539 WeakPolarHBondContact O-CG1 3.35Å; D535-I539 PolarHBondContact O-N 3.44Å
536	E	74.1	Confident	81.7	Confident	116 Å²	116	57.3 Å²	57.3	54%	0.542	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-35.5	-175.9	-179.2	172.2	-168.9	0	0	113.6	V507 I539 A540	V507-E536 HydrophobicContact CB-CG 4.01Å; V507-E536 HydrophobicContact CG2-CG 3.95Å; V507-E536 VanDerWaalsContact CG2-OE1 3.28Å; V507-E536 WeakPolarHBondContact CG2-OE1 3.3Å; E536-I539 PolarHBondContact O-N 2.88Å; E536-A540 WeakPolarHBondContact O-CB 3.29Å; E536-A540 PolarHBondContact O-N 2.95Å
537	C	69.3	Low	81.6	Confident	81 Å²	81	60.3 Å²	60.3	55%	0.547	33%	0.328	S	S	.	.	H	α-helix	trans	-67.3	-48.2	179.8	-168.6	0	0	0	0	110	D535 I539 A540 E541	D535-C537 VanDerWaalsContact C-N 3.32Å; D535-C537 PolarHBondContact O-N 2.87Å; D535-C537 WeakPolarHBondContact OD1-CA 3.48Å; D535-C537 VanDerWaalsContact OD1-CB 3.26Å; D535-C537 WeakPolarHBondContact OD1-CB 3.43Å; D535-C537 PolarHBondContact OD1-N 3.22Å; C537-I539 VanDerWaalsContact C-N 3.35Å; C537-I539 PolarHBondContact O-N 2.98Å; C537-A540 PolarHBondContact O-N 3.34Å; C537-E541 PolarHBondContact O-N 3.13Å; C537-E541 VanDerWaalsContact O-N 3.09Å
538	F	75.1	Confident	81.7	Confident	46 Å²	46	65.7 Å²	65.7	20%	0.202	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-44.6	175.9	-175	-97	0	0	0	111.8	F509 Y530 C534 D535 A540 E541 Q542 I554	F509-F538 HydrophobicContact CE2-CD1 4.33Å; F509-F538 HydrophobicContact CE2-CE1 4.41Å; Y530-F538 HydrophobicContact CE1-CE1 4.33Å; Y530-F538 HydrophobicContact CE1-CZ 4.47Å; C534-F538 HydrophobicContact CB-CD1 3.82Å; C534-F538 HydrophobicContact CB-CE1 4.46Å; D535-F538 PolarHBondContact O-N 3.47Å; D535-F538 PolarHBondContact OD1-N 3.48Å; F538-A540 VanDerWaalsContact C-N 3.28Å; F538-A540 PolarHBondContact O-N 3.39Å; F538-E541 PolarHBondContact O-N 3.47Å; F538-Q542 HydrophobicContact CD1-CG 3.82Å; F538-Q542 HydrophobicContact CD2-CG 4.42Å; F538-Q542 HydrophobicContact CE1-CG 3.42Å; F538-Q542 VanDerWaalsContact CE1-CG 3.42Å; F538-Q542 HydrophobicContact CE2-CG 4.07Å; F538-Q542 HydrophobicContact CG-CG 4.32Å; F538-Q542 HydrophobicContact CZ-CG 3.56Å; F538-Q542 VanDerWaalsContact O-CG 3.31Å; F538-Q542 WeakPolarHBondContact O-CG 3.43Å; F538-Q542 PolarHBondContact O-N 2.85Å; F538-I554 HydrophobicContact CZ-CG2 4.38Å
539	I	83.4	Confident	81.6	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-59.1	-41.7	178.3	-66.1	159.7	0	0	0	111.1	V507 F509 C534 D535 E536 C537 Q542 E543 V570	V507-I539 HydrophobicContact CG1-CB 4.44Å; V507-I539 HydrophobicContact CG1-CG2 3.77Å; V507-I539 WeakPolarHBondContact O-CD1 3.49Å; F509-I539 HydrophobicContact CD1-CG2 4.24Å; F509-I539 HydrophobicContact CD2-CG1 3.81Å; F509-I539 HydrophobicContact CE1-CG2 4.01Å; F509-I539 HydrophobicContact CE2-CB 4.32Å; F509-I539 HydrophobicContact CE2-CG1 3.56Å; F509-I539 HydrophobicContact CG-CG1 4.41Å; F509-I539 HydrophobicContact CZ-CB 4.19Å; F509-I539 HydrophobicContact CZ-CG1 3.94Å; F509-I539 HydrophobicContact CZ-CG2 4.16Å; C534-I539 HydrophobicContact CB-CD1 4.33Å; C534-I539 HydrophobicContact CB-CG1 3.94Å; C534-I539 WeakPolarHBondContact O-CD1 3.31Å; D535-I539 WeakPolarHBondContact O-CD1 3.32Å; D535-I539 WeakPolarHBondContact O-CG1 3.35Å; D535-I539 PolarHBondContact O-N 3.44Å; E536-I539 PolarHBondContact O-N 2.88Å; C537-I539 VanDerWaalsContact C-N 3.35Å; C537-I539 PolarHBondContact O-N 2.98Å; I539-Q542 PolarHBondContact O-N 3.3Å; I539-E543 WeakPolarHBondContact O-CB 3.49Å; I539-E543 PolarHBondContact O-N 2.96Å; I539-V570 HydrophobicContact CG2-CB 4.47Å; I539-V570 HydrophobicContact CG2-CG1 3.76Å; I539-V570 HydrophobicContact CG2-CG2 3.83Å
540	A	79.9	Confident	81.6	Confident	42 Å²	42	66.9 Å²	66.9	35%	0.347	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-42.8	178.3	0	0	0	0	0	112.4	E536 C537 F538 E543 Q544	E536-A540 WeakPolarHBondContact O-CB 3.29Å; E536-A540 PolarHBondContact O-N 2.95Å; C537-A540 PolarHBondContact O-N 3.34Å; F538-A540 VanDerWaalsContact C-N 3.28Å; F538-A540 PolarHBondContact O-N 3.39Å; A540-E543 PolarHBondContact O-N 3.03Å; A540-Q544 PolarHBondContact O-N 3.36Å; A540-Q544 VanDerWaalsContact O-N 3.16Å
541	E	77.9	Confident	81.8	Confident	104 Å²	104	68.2 Å²	68.2	49%	0.486	38%	0.383	S	S	.	.	H	α-helix	trans	-62.9	-45.9	176.4	-71.3	176	-174	0	0	112	C537 F538 Q544 L545	C537-E541 PolarHBondContact O-N 3.13Å; C537-E541 VanDerWaalsContact O-N 3.09Å; F538-E541 PolarHBondContact O-N 3.47Å; E541-Q544 WeakPolarHBondContact O-CB 3.14Å; E541-Q544 PolarHBondContact O-N 2.86Å; E541-L545 PolarHBondContact O-N 3.25Å; E541-L545 VanDerWaalsContact O-N 3.15Å
542	Q	84.6	Confident	82	Confident	18 Å²	18	68.2 Å²	68.2	8%	0.084	38%	0.383	C	S	.	.	H	α-helix	trans	-70.8	-31.5	179.8	-59.2	-40	-59.5	0	0	112.4	F509 F538 I539 Q544 L545 L546 F552	F509-Q542 HydrophobicContact CE1-CB 4.3Å; F509-Q542 HydrophobicContact CZ-CB 3.82Å; F509-Q542 HydrophobicContact CZ-CG 4.21Å; F538-Q542 HydrophobicContact CD1-CG 3.82Å; F538-Q542 HydrophobicContact CD2-CG 4.42Å; F538-Q542 HydrophobicContact CE1-CG 3.42Å; F538-Q542 VanDerWaalsContact CE1-CG 3.42Å; F538-Q542 HydrophobicContact CE2-CG 4.07Å; F538-Q542 HydrophobicContact CG-CG 4.32Å; F538-Q542 HydrophobicContact CZ-CG 3.56Å; F538-Q542 VanDerWaalsContact O-CG 3.31Å; F538-Q542 WeakPolarHBondContact O-CG 3.43Å; F538-Q542 PolarHBondContact O-N 2.85Å; I539-Q542 PolarHBondContact O-N 3.3Å; Q542-Q544 VanDerWaalsContact C-N 3.27Å; Q542-Q544 PolarHBondContact O-N 3.24Å; Q542-L545 PolarHBondContact O-N 3.26Å; Q542-L546 WeakPolarHBondContact O-CB 3.29Å; Q542-L546 WeakPolarHBondContact O-CG 3.4Å; Q542-L546 PolarHBondContact O-N 3.49Å; Q542-F552 HydrophobicContact CB-CD1 4.44Å; Q542-F552 HydrophobicContact CB-CD2 3.84Å; Q542-F552 HydrophobicContact CB-CE2 3.94Å; Q542-F552 HydrophobicContact CB-CG 4.07Å; Q542-F552 HydrophobicContact CB-CZ 4.3Å; Q542-F552 HydrophobicContact CG-CD2 3.69Å; Q542-F552 HydrophobicContact CG-CE2 3.83Å; Q542-F552 HydrophobicContact CG-CG 4.36Å
543	E	86.7	Confident	82.2	Confident	42 Å²	42	67.7 Å²	67.7	20%	0.196	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-38.5	171.8	-166.3	-176	-149.9	0	0	111.5	I539 A540 L546 N547 V570 R572	I539-E543 WeakPolarHBondContact O-CB 3.49Å; I539-E543 PolarHBondContact O-N 2.96Å; A540-E543 PolarHBondContact O-N 3.03Å; E543-L546 PolarHBondContact O-N 3.42Å; E543-N547 PolarHBondContact O-N 3.37Å; E543-N547 PolarHBondContact O-ND2 3.41Å; E543-N547 VanDerWaalsContact O-ND2 3.1Å; E543-V570 HydrophobicContact CB-CG2 3.92Å; E543-V570 HydrophobicContact CG-CB 4.14Å; E543-V570 HydrophobicContact CG-CG2 3.83Å; E543-V570 WeakPolarHBondContact OE1-CB 3.18Å; E543-R572 VanDerWaalsContact CD-NH1 3.27Å; E543-R572 IonicContact OE1-CZ 3.57Å; E543-R572 IonicContact OE1-NH1 3.84Å; E543-R572 PolarHBondContact OE1-NH1 2.9Å; E543-R572 IonicContact OE1-NH2 2.7Å; E543-R572 IonicContact OE2-CZ 3.19Å; E543-R572 IonicContact OE2-NH1 2.76Å; E543-R572 PolarHBondContact OE2-NH1 2.89Å; E543-R572 IonicContact OE2-NH2 3.15Å; E543-R572 PolarHBondContact OE2-NH2 3Å
544	Q	82.9	Confident	82.6	Confident	124 Å²	124	62.1 Å²	62.1	58%	0.579	34%	0.337	S	S	*	.	H	α-helix	trans	-64	-45.3	176.1	-160.6	171.7	0.7	0	0	110.6	A540 E541 Q542 L546 N547 D548	A540-Q544 PolarHBondContact O-N 3.36Å; A540-Q544 VanDerWaalsContact O-N 3.16Å; E541-Q544 WeakPolarHBondContact O-CB 3.14Å; E541-Q544 PolarHBondContact O-N 2.86Å; Q542-Q544 VanDerWaalsContact C-N 3.27Å; Q542-Q544 PolarHBondContact O-N 3.24Å; Q544-L546 PolarHBondContact O-N 2.99Å; Q544-N547 PolarHBondContact O-N 2.92Å; Q544-N547 VanDerWaalsContact O-N 3.08Å; Q544-D548 WeakPolarHBondContact O-CB 3.31Å; Q544-D548 PolarHBondContact O-N 3.04Å
545	L	82.3	Confident	82.9	Confident	67 Å²	67	67.1 Å²	67.1	35%	0.351	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-39.6	174.2	-67.8	172.1	0	0	0	113	E541 Q542 N547 D548 N549 G550 F552	E541-L545 PolarHBondContact O-N 3.25Å; E541-L545 VanDerWaalsContact O-N 3.15Å; Q542-L545 PolarHBondContact O-N 3.26Å; L545-N547 PolarHBondContact O-N 3.35Å; L545-D548 PolarHBondContact O-N 3.2Å; L545-N549 WeakPolarHBondContact O-CA 3.5Å; L545-N549 WeakPolarHBondContact O-CB 3.38Å; L545-N549 PolarHBondContact O-N 2.99Å; L545-G550 PolarHBondContact O-N 3.08Å; L545-F552 HydrophobicContact CB-CB 4.18Å; L545-F552 HydrophobicContact CD1-CB 4.4Å
546	L	86.1	Confident	83.2	Confident	7 Å²	7	63.9 Å²	63.9	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-62.4	-31	173.4	-80.7	171.5	0	0	0	113	Q542 E543 Q544 G550 F552 K565	Q542-L546 WeakPolarHBondContact O-CB 3.29Å; Q542-L546 WeakPolarHBondContact O-CG 3.4Å; Q542-L546 PolarHBondContact O-N 3.49Å; E543-L546 PolarHBondContact O-N 3.42Å; Q544-L546 PolarHBondContact O-N 2.99Å; L546-G550 VanDerWaalsContact O-CA 3.24Å; L546-G550 WeakPolarHBondContact O-CA 3.46Å; L546-G550 PolarHBondContact O-N 2.92Å; L546-F552 HydrophobicContact CD1-CD1 3.96Å; L546-F552 HydrophobicContact CD1-CE1 3.75Å; L546-F552 HydrophobicContact CD2-CD1 3.64Å; L546-F552 HydrophobicContact CD2-CE1 3.99Å; L546-F552 HydrophobicContact CG-CD1 3.55Å; L546-F552 HydrophobicContact CG-CE1 3.88Å; L546-K565 HydrophobicContact CD2-CB 4.48Å
547	N	86.4	Confident	83.4	Confident	93 Å²	93	65.4 Å²	65.4	50%	0.497	35%	0.349	S	S	.	.	H	α-helix	trans	-82.8	-38.6	178.7	-73.3	-36.8	0	0	0	112.5	E543 Q544 L545 K565	E543-N547 PolarHBondContact O-N 3.37Å; E543-N547 PolarHBondContact O-ND2 3.41Å; E543-N547 VanDerWaalsContact O-ND2 3.1Å; Q544-N547 PolarHBondContact O-N 2.92Å; Q544-N547 VanDerWaalsContact O-N 3.08Å; L545-N547 PolarHBondContact O-N 3.35Å; N547-K565 PolarHBondContact OD1-NZ 3.28Å
548	D	87.4	Confident	83.8	Confident	113 Å²	113	64.8 Å²	64.8	60%	0.604	36%	0.356	S	S	*	.	H	α-helix	trans	-81.4	-44.6	-176.7	-66.3	-15.6	0	0	0	111.9	Q544 L545	Q544-D548 WeakPolarHBondContact O-CB 3.31Å; Q544-D548 PolarHBondContact O-N 3.04Å; L545-D548 PolarHBondContact O-N 3.2Å
549	N	86.6	Confident	84.3	Confident	115 Å²	115	66.4 Å²	66.4	62%	0.615	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-10.4	-171.7	-60.9	-27.8	0	0	0	113.6	L545 E551	L545-N549 WeakPolarHBondContact O-CA 3.5Å; L545-N549 WeakPolarHBondContact O-CB 3.38Å; L545-N549 PolarHBondContact O-N 2.99Å; N549-E551 PolarHBondContact O-N 3.34Å
550	G	86.1	Confident	84.6	Confident	33 Å²	33	70.4 Å²	70.4	34%	0.34	39%	0.388	S	S	.	.	S	Bend	trans	80.6	-8.2	-179.4	0	0	0	0	0	115.2	L545 L546 T564 K565	L545-G550 PolarHBondContact O-N 3.08Å; L546-G550 VanDerWaalsContact O-CA 3.24Å; L546-G550 WeakPolarHBondContact O-CA 3.46Å; L546-G550 PolarHBondContact O-N 2.92Å; G550-T564 WeakPolarHBondContact O-CA 3.48Å; G550-K565 PolarHBondContact O-N 3.36Å; G550-K565 VanDerWaalsContact O-N 3.13Å
551	E	90.5	Very high	85.1	Confident	94 Å²	94	68.6 Å²	68.6	44%	0.439	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	161.1	-179.5	67.2	-178.4	-158.4	0	0	112.6	N549 T562 L563 T564	N549-E551 PolarHBondContact O-N 3.34Å; E551-T562 HydrophobicContact CB-CG2 4.09Å; E551-T562 HydrophobicContact CG-CG2 4.14Å; E551-T562 WeakPolarHBondContact OE2-CG2 3.49Å; E551-L563 CarbonylContact C-O 3.53Å; E551-L563 VanDerWaalsContact CA-O 3.22Å; E551-L563 WeakPolarHBondContact CA-O 3.37Å; E551-T564 HydrophobicContact CB-CG2 4Å
552	F	90.1	Very high	85.8	Confident	6 Å²	6	65.9 Å²	65.9	3%	0.026	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	165.7	168.1	72.7	-75.2	0	0	0	110.1	F509 L531 Q542 L545 L546 I554 T562 L563 V568	F509-F552 HydrophobicContact CE1-CZ 4.15Å; F509-F552 HydrophobicContact CZ-CE2 4.37Å; F509-F552 HydrophobicContact CZ-CZ 4.04Å; L531-F552 HydrophobicContact CD2-CE2 4.44Å; L531-F552 HydrophobicContact CD2-CZ 3.96Å; Q542-F552 HydrophobicContact CB-CD1 4.44Å; Q542-F552 HydrophobicContact CB-CD2 3.84Å; Q542-F552 HydrophobicContact CB-CE2 3.94Å; Q542-F552 HydrophobicContact CB-CG 4.07Å; Q542-F552 HydrophobicContact CB-CZ 4.3Å; Q542-F552 HydrophobicContact CG-CD2 3.69Å; Q542-F552 HydrophobicContact CG-CE2 3.83Å; Q542-F552 HydrophobicContact CG-CG 4.36Å; L545-F552 HydrophobicContact CB-CB 4.18Å; L545-F552 HydrophobicContact CD1-CB 4.4Å; L546-F552 HydrophobicContact CD1-CD1 3.96Å; L546-F552 HydrophobicContact CD1-CE1 3.75Å; L546-F552 HydrophobicContact CD2-CD1 3.64Å; L546-F552 HydrophobicContact CD2-CE1 3.99Å; L546-F552 HydrophobicContact CG-CD1 3.55Å; L546-F552 HydrophobicContact CG-CE1 3.88Å; F552-I554 HydrophobicContact CD2-CG2 3.8Å; F552-I554 HydrophobicContact CE2-CG2 3.4Å; F552-I554 HydrophobicContact CZ-CG2 4.47Å; F552-T562 CarbonylContact O-C 3.59Å; F552-T562 WeakPolarHBondContact O-CA 3.24Å; F552-L563 HydrophobicContact CD1-CB 3.97Å; F552-L563 WeakPolarHBondContact CD1-O 3.48Å; F552-L563 HydrophobicContact CE1-CB 3.53Å; F552-L563 HydrophobicContact CE1-CD1 4.09Å; F552-L563 HydrophobicContact CE1-CG 4.48Å; F552-L563 HydrophobicContact CE2-CD1 3.91Å; F552-L563 HydrophobicContact CZ-CB 3.87Å; F552-L563 HydrophobicContact CZ-CD1 3.51Å; F552-L563 HydrophobicContact CZ-CG 4.34Å; F552-L563 PolarHBondContact N-O 3.46Å; F552-L563 PolarHBondContact O-N 2.88Å; F552-V568 HydrophobicContact CE1-CB 4.48Å
553	T	89.4	Confident	86.2	Confident	74 Å²	74	65 Å²	65	45%	0.454	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.1	-177.4	-61.5	0	0	0	0	111.2	T560 F561 T562	T553-T560 HydrophobicContact CG2-CG2 3.14Å; T553-F561 CarbonylContact C-O 3.5Å; T553-F561 WeakPolarHBondContact CA-O 3.42Å; T553-T562 PolarHBondContact OG1-OG1 3.31Å
554	I	85.6	Confident	86.4	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.9	173.3	61.9	169.4	0	0	0	110.7	A527 Y530 L531 F538 F552 T560 F561 L563	A527-I554 HydrophobicContact CB-CD1 4.4Å; Y530-I554 HydrophobicContact CD1-CB 3.99Å; Y530-I554 HydrophobicContact CD1-CD1 3.49Å; Y530-I554 VanDerWaalsContact CD1-CD1 3.49Å; Y530-I554 HydrophobicContact CD1-CG1 4.29Å; Y530-I554 HydrophobicContact CD1-CG2 4.1Å; Y530-I554 HydrophobicContact CE1-CB 3.73Å; Y530-I554 HydrophobicContact CE1-CD1 4.16Å; Y530-I554 HydrophobicContact CE1-CG2 3.69Å; Y530-I554 HydrophobicContact CG-CD1 4Å; L531-I554 HydrophobicContact CG-CD1 4.42Å; F538-I554 HydrophobicContact CZ-CG2 4.38Å; F552-I554 HydrophobicContact CD2-CG2 3.8Å; F552-I554 HydrophobicContact CE2-CG2 3.4Å; F552-I554 HydrophobicContact CZ-CG2 4.47Å; I554-T560 CarbonylContact O-C 3.59Å; I554-T560 WeakPolarHBondContact O-CA 3.47Å; I554-F561 HydrophobicContact CD1-CB 4.36Å; I554-F561 HydrophobicContact CG1-CB 3.8Å; I554-F561 HydrophobicContact CG1-CD2 4.33Å; I554-F561 HydrophobicContact CG1-CG 4.48Å; I554-F561 PolarHBondContact N-O 3.3Å; I554-F561 PolarHBondContact O-N 3.44Å; I554-L563 HydrophobicContact CD1-CD1 3.62Å; I554-L563 HydrophobicContact CG1-CD1 3.89Å; I554-L563 HydrophobicContact CG2-CD1 4.34Å
555	E	84.6	Confident	86.7	Confident	130 Å²	130	64.4 Å²	64.4	61%	0.607	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.5	174.9	-165.6	179.4	165.8	0	0	110.2	Y530 K559	Y530-E555 WeakPolarHBondContact CE2-O 3.02Å; E555-K559 WeakPolarHBondContact CA-O 3.34Å
556	T	78.7	Confident	87	Confident	29 Å²	29	66 Å²	66	18%	0.178	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	140.3	177.3	-173.3	0	0	0	0	110.8	L526 Y530 G558 K559 F561	L526-T556 HydrophobicContact CB-CG2 4.23Å; Y530-T556 HydrophobicContact CD2-CG2 4.27Å; Y530-T556 HydrophobicContact CG-CG2 4.41Å; T556-G558 PolarHBondContact O-N 3.43Å; T556-G558 VanDerWaalsContact O-N 3.13Å; T556-K559 PolarHBondContact N-O 2.98Å; T556-K559 PolarHBondContact O-N 3.48Å; T556-F561 HydrophobicContact CG2-CD2 4.02Å; T556-F561 HydrophobicContact CG2-CE2 3.54Å
557	E	77.7	Confident	87.2	Confident	147 Å²	147	66.9 Å²	66.9	69%	0.687	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	38.9	-176.4	-60.2	-168.3	178.3	0	0	113.9	L526 K559	L526-E557 HydrophobicContact CD2-CG 4.42Å; L526-E557 VanDerWaalsContact CD2-OE2 3.23Å; L526-E557 WeakPolarHBondContact CD2-OE2 3.31Å; E557-K559 VanDerWaalsContact C-N 3.28Å; E557-K559 PolarHBondContact O-N 3.49Å
558	G	78.8	Confident	87.4	Confident	69 Å²	69	62.5 Å²	62.5	71%	0.711	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	17.2	179.3	0	0	0	0	0	114.7	T556	T556-G558 PolarHBondContact O-N 3.43Å; T556-G558 VanDerWaalsContact O-N 3.13Å
559	K	84.3	Confident	87.5	Confident	79 Å²	79	58.6 Å²	58.6	34%	0.343	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.5	176.5	-65.2	-174.6	-177.9	-174.1	0	111.3	D523 L526 E555 T556 E557 F561	D523-K559 IonicContact OD1-NZ 2.88Å; D523-K559 PolarHBondContact OD1-NZ 2.68Å; D523-K559 IonicContact OD2-NZ 2.7Å; D523-K559 PolarHBondContact OD2-NZ 2.87Å; L526-K559 HydrophobicContact CD1-CD 4.22Å; E555-K559 WeakPolarHBondContact CA-O 3.34Å; T556-K559 PolarHBondContact N-O 2.98Å; T556-K559 PolarHBondContact O-N 3.48Å; E557-K559 VanDerWaalsContact C-N 3.28Å; E557-K559 PolarHBondContact O-N 3.49Å; K559-F561 HydrophobicContact CB-CE2 3.69Å; K559-F561 HydrophobicContact CB-CZ 3.93Å; K559-F561 HydrophobicContact CD-CZ 4.33Å
560	T	90.1	Very high	87.6	Confident	89 Å²	89	54.5 Å²	54.5	55%	0.546	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.1	179.6	-50	0	0	0	0	110.1	T553 I554	T553-T560 HydrophobicContact CG2-CG2 3.14Å; I554-T560 CarbonylContact O-C 3.59Å; I554-T560 WeakPolarHBondContact O-CA 3.47Å
561	F	90.6	Very high	87.8	Confident	4 Å²	4	57 Å²	57	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124	179.5	-56.6	-95.3	0	0	0	110.1	Y520 D523 L526 A527 T553 I554 T556 K559	Y520-F561 AromaticContact CD1-CD1 3.6Å; Y520-F561 HydrophobicContact CD1-CD1 3.6Å; Y520-F561 HydrophobicContact CD1-CE1 4.08Å; Y520-F561 HydrophobicContact CD2-CD1 4.31Å; Y520-F561 HydrophobicContact CE1-CB 4.41Å; Y520-F561 AromaticContact CE1-CD1 3.79Å; Y520-F561 HydrophobicContact CE1-CD1 3.79Å; Y520-F561 HydrophobicContact CE2-CD1 4.47Å; Y520-F561 AromaticContact CG-CD1 3.89Å; Y520-F561 HydrophobicContact CG-CD1 3.89Å; Y520-F561 HydrophobicContact CG-CE1 4.28Å; D523-F561 HydrophobicContact CB-CE1 3.9Å; D523-F561 HydrophobicContact CB-CZ 4.22Å; D523-F561 WeakPolarHBondContact O-CE1 3.45Å; L526-F561 HydrophobicContact CB-CE2 4.32Å; L526-F561 HydrophobicContact CB-CZ 3.86Å; L526-F561 HydrophobicContact CD1-CZ 4.37Å; A527-F561 HydrophobicContact CB-CB 4.41Å; A527-F561 HydrophobicContact CB-CD1 3.79Å; A527-F561 HydrophobicContact CB-CD2 4.43Å; A527-F561 HydrophobicContact CB-CE1 4.1Å; A527-F561 HydrophobicContact CB-CG 3.97Å; T553-F561 CarbonylContact C-O 3.5Å; T553-F561 WeakPolarHBondContact CA-O 3.42Å; I554-F561 HydrophobicContact CD1-CB 4.36Å; I554-F561 HydrophobicContact CG1-CB 3.8Å; I554-F561 HydrophobicContact CG1-CD2 4.33Å; I554-F561 HydrophobicContact CG1-CG 4.48Å; I554-F561 PolarHBondContact N-O 3.3Å; I554-F561 PolarHBondContact O-N 3.44Å; T556-F561 HydrophobicContact CG2-CD2 4.02Å; T556-F561 HydrophobicContact CG2-CE2 3.54Å; K559-F561 HydrophobicContact CB-CE2 3.69Å; K559-F561 HydrophobicContact CB-CZ 3.93Å; K559-F561 HydrophobicContact CD-CZ 4.33Å
562	T	92.8	Very high	87.7	Confident	46 Å²	46	59 Å²	59	28%	0.282	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.8	175	-55.5	0	0	0	0	109.9	Y520 E551 F552 T553	Y520-T562 VanDerWaalsContact OH-C 3.3Å; Y520-T562 PolarHBondContact OH-N 2.96Å; Y520-T562 PolarHBondContact OH-O 2.99Å; E551-T562 HydrophobicContact CB-CG2 4.09Å; E551-T562 HydrophobicContact CG-CG2 4.14Å; E551-T562 WeakPolarHBondContact OE2-CG2 3.49Å; F552-T562 CarbonylContact O-C 3.59Å; F552-T562 WeakPolarHBondContact O-CA 3.24Å; T553-T562 PolarHBondContact OG1-OG1 3.31Å
563	L	91.7	Very high	87.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.2	-172.7	-63.6	171.6	0	0	0	109.6	Y520 L531 E551 F552 I554 V568	Y520-L563 HydrophobicContact CE2-CD2 4.26Å; L531-L563 HydrophobicContact CD1-CD1 3.84Å; L531-L563 HydrophobicContact CD2-CD1 3.69Å; L531-L563 HydrophobicContact CG-CD1 4.07Å; E551-L563 CarbonylContact C-O 3.53Å; E551-L563 VanDerWaalsContact CA-O 3.22Å; E551-L563 WeakPolarHBondContact CA-O 3.37Å; F552-L563 HydrophobicContact CD1-CB 3.97Å; F552-L563 WeakPolarHBondContact CD1-O 3.48Å; F552-L563 HydrophobicContact CE1-CB 3.53Å; F552-L563 HydrophobicContact CE1-CD1 4.09Å; F552-L563 HydrophobicContact CE1-CG 4.48Å; F552-L563 HydrophobicContact CE2-CD1 3.91Å; F552-L563 HydrophobicContact CZ-CB 3.87Å; F552-L563 HydrophobicContact CZ-CD1 3.51Å; F552-L563 HydrophobicContact CZ-CG 4.34Å; F552-L563 PolarHBondContact N-O 3.46Å; F552-L563 PolarHBondContact O-N 2.88Å; I554-L563 HydrophobicContact CD1-CD1 3.62Å; I554-L563 HydrophobicContact CG1-CD1 3.89Å; I554-L563 HydrophobicContact CG2-CD1 4.34Å; L563-V568 HydrophobicContact CB-CG2 4.14Å; L563-V568 HydrophobicContact CD1-CG2 4.13Å; L563-V568 HydrophobicContact CD2-CG2 4.12Å; L563-V568 HydrophobicContact CG-CG2 4.37Å
564	T	91.6	Very high	87.3	Confident	29 Å²	29	65.1 Å²	65.1	18%	0.178	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	167	-179.2	52.9	0	0	0	0	111.6	G550 E551 D566 M567 V568	G550-T564 WeakPolarHBondContact O-CA 3.48Å; E551-T564 HydrophobicContact CB-CG2 4Å; T564-D566 WeakPolarHBondContact CB-OD1 3.3Å; T564-D566 PolarHBondContact O-N 3.15Å; T564-D566 PolarHBondContact OG1-OD1 3.48Å; T564-M567 WeakPolarHBondContact O-CA 3.45Å; T564-M567 WeakPolarHBondContact O-CB 3.47Å; T564-M567 PolarHBondContact O-N 3.27Å; T564-M567 WeakPolarHBondContact OG1-CG 3.37Å; T564-V568 PolarHBondContact O-N 3.11Å; T564-V568 VanDerWaalsContact O-N 3.09Å
565	K	89	Confident	87.2	Confident	125 Å²	125	70.2 Å²	70.2	54%	0.543	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.4	-179	-165.1	166.7	-174.7	155	0	115	L546 N547 G550	L546-K565 HydrophobicContact CD2-CB 4.48Å; N547-K565 PolarHBondContact OD1-NZ 3.28Å; G550-K565 PolarHBondContact O-N 3.36Å; G550-K565 VanDerWaalsContact O-N 3.13Å
566	D	88.8	Confident	87.2	Confident	100 Å²	100	67.2 Å²	67.2	54%	0.535	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-18.7	173.6	63.5	-61.3	0	0	0	113.3	N512 T564	N512-D566 WeakPolarHBondContact CB-O 3.33Å; N512-D566 PolarHBondContact ND2-O 3.48Å; T564-D566 WeakPolarHBondContact CB-OD1 3.3Å; T564-D566 PolarHBondContact O-N 3.15Å; T564-D566 PolarHBondContact OG1-OD1 3.48Å
567	M	90.6	Very high	87.5	Confident	25 Å²	25	68.3 Å²	68.3	12%	0.123	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-35.2	179	-68.6	-173.2	-161	0	0	112.9	N512 A515 I516 A519 Y520 T564	N512-M567 WeakPolarHBondContact CB-O 3.44Å; N512-M567 PolarHBondContact N-O 2.97Å; A515-M567 HydrophobicContact CB-CG 3.9Å; I516-M567 WeakPolarHBondContact CD1-O 3.4Å; I516-M567 HydrophobicContact CG1-CB 3.8Å; I516-M567 HydrophobicContact CG1-CG 4.24Å; A519-M567 HydrophobicContact CB-CE 3.6Å; A519-M567 HydrophobicContact CB-SD 4.18Å; Y520-M567 HydrophobicContact CE2-SD 3.9Å; T564-M567 WeakPolarHBondContact O-CA 3.45Å; T564-M567 WeakPolarHBondContact O-CB 3.47Å; T564-M567 PolarHBondContact O-N 3.27Å; T564-M567 WeakPolarHBondContact OG1-CG 3.37Å
568	V	90.6	Very high	88	Confident	1 Å²	1	67 Å²	67	1%	0.006	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	123	-175.2	-178.6	0	0	0	0	110.8	F509 I516 L531 F552 L563 T564	F509-V568 HydrophobicContact CB-CG1 3.89Å; F509-V568 HydrophobicContact CD1-CG1 3.35Å; F509-V568 HydrophobicContact CE1-CG1 4.09Å; F509-V568 HydrophobicContact CG-CG1 3.84Å; I516-V568 HydrophobicContact CD1-CG2 4.02Å; L531-V568 HydrophobicContact CD1-CG1 4.48Å; L531-V568 HydrophobicContact CD1-CG2 3.59Å; L531-V568 HydrophobicContact CD2-CG1 4.48Å; F552-V568 HydrophobicContact CE1-CB 4.48Å; L563-V568 HydrophobicContact CB-CG2 4.14Å; L563-V568 HydrophobicContact CD1-CG2 4.13Å; L563-V568 HydrophobicContact CD2-CG2 4.12Å; L563-V568 HydrophobicContact CG-CG2 4.37Å; T564-V568 PolarHBondContact O-N 3.11Å; T564-V568 VanDerWaalsContact O-N 3.09Å
569	G	89.1	Confident	88.5	Confident	31 Å²	31	66.5 Å²	66.5	32%	0.32	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	173.2	166	0	0	0	0	0	111.8	F509 E510	F509-G569 CarbonylContact C-O 3.46Å; F509-G569 WeakPolarHBondContact CA-O 3.44Å; E510-G569 PolarHBondContact N-O 2.91Å; E510-G569 PolarHBondContact O-N 2.82Å
570	V	89.5	Confident	88.7	Confident	29 Å²	29	66.2 Å²	66.2	18%	0.176	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.9	170	174.8	0	0	0	0	108.8	V507 F509 I539 E543	V507-V570 HydrophobicContact CG1-CG1 3.75Å; F509-V570 HydrophobicContact CD1-CG2 3.75Å; F509-V570 HydrophobicContact CE1-CG2 3.85Å; I539-V570 HydrophobicContact CG2-CB 4.47Å; I539-V570 HydrophobicContact CG2-CG1 3.76Å; I539-V570 HydrophobicContact CG2-CG2 3.83Å; E543-V570 HydrophobicContact CB-CG2 3.92Å; E543-V570 HydrophobicContact CG-CB 4.14Å; E543-V570 HydrophobicContact CG-CG2 3.83Å; E543-V570 WeakPolarHBondContact OE1-CB 3.18Å
571	K	88.8	Confident	88.7	Confident	85 Å²	85	68.6 Å²	68.6	37%	0.37	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.9	-179.3	-166.4	-176	-159.8	145	0	109.8	Q508 E510 F573	Q508-K571 HydrophobicContact CG-CB 4.42Å; Q508-K571 PolarHBondContact N-O 3.44Å; Q508-K571 PolarHBondContact O-N 2.94Å; E510-K571 HydrophobicContact CB-CB 4.24Å; E510-K571 IonicContact OE1-NZ 3.41Å; E510-K571 PolarHBondContact OE1-NZ 3.29Å; K571-F573 HydrophobicContact CD-CD1 3.97Å; K571-F573 HydrophobicContact CD-CE1 4.26Å; K571-F573 HydrophobicContact CG-CD1 3.93Å
572	R	89.3	Confident	88.7	Confident	137 Å²	137	69 Å²	69	52%	0.517	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.6	171	-60.8	-174.5	170.6	78.9	0.2	108.8	V506 V507 E543	V506-R572 WeakPolarHBondContact O-CA 3.31Å; V507-R572 HydrophobicContact CG1-CG 4.11Å; V507-R572 HydrophobicContact CG2-CG 4.04Å; E543-R572 VanDerWaalsContact CD-NH1 3.27Å; E543-R572 IonicContact OE1-CZ 3.57Å; E543-R572 IonicContact OE1-NH1 3.84Å; E543-R572 PolarHBondContact OE1-NH1 2.9Å; E543-R572 IonicContact OE1-NH2 2.7Å; E543-R572 IonicContact OE2-CZ 3.19Å; E543-R572 IonicContact OE2-NH1 2.76Å; E543-R572 PolarHBondContact OE2-NH1 2.89Å; E543-R572 IonicContact OE2-NH2 3.15Å; E543-R572 PolarHBondContact OE2-NH2 3Å
573	F	85.8	Confident	88.5	Confident	71 Å²	71	68.9 Å²	68.9	31%	0.311	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.9	177.3	64.3	-77.4	0	0	0	111.2	V506 Q508 K571 K575	V506-F573 HydrophobicContact CB-CE1 4.14Å; V506-F573 HydrophobicContact CB-CE2 4.46Å; V506-F573 HydrophobicContact CB-CZ 4.09Å; V506-F573 HydrophobicContact CG1-CE1 4.09Å; V506-F573 HydrophobicContact CG1-CZ 4.08Å; V506-F573 PolarHBondContact N-O 3.33Å; V506-F573 PolarHBondContact O-N 3.33Å; Q508-F573 HydrophobicContact CG-CE1 4Å; K571-F573 HydrophobicContact CD-CD1 3.97Å; K571-F573 HydrophobicContact CD-CE1 4.26Å; K571-F573 HydrophobicContact CG-CD1 3.93Å; F573-K575 HydrophobicContact CD2-CB 4.38Å; F573-K575 HydrophobicContact CE2-CB 4.01Å
574	Q	84.7	Confident	88.5	Confident	138 Å²	138	68.9 Å²	68.9	65%	0.645	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.6	171.9	-76.2	-173.7	-20	0	0	109.3	T503 N505	T503-Q574 HydrophobicContact CG2-CB 3.76Å; T503-Q574 HydrophobicContact CG2-CG 3.94Å; N505-Q574 VanDerWaalsContact OD1-CG 3.31Å; N505-Q574 WeakPolarHBondContact OD1-CG 3.41Å; N505-Q574 PolarHBondContact OD1-NE2 3.38Å
575	K	83.8	Confident	88.5	Confident	110 Å²	110	67.6 Å²	67.6	48%	0.478	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.5	172.5	-170.9	179.7	177.9	-172.9	0	108.2	V504 V506 F573 L577	V504-K575 HydrophobicContact CG2-CB 4.25Å; V504-K575 WeakPolarHBondContact CG2-O 3.45Å; V504-K575 PolarHBondContact N-O 3.48Å; V504-K575 PolarHBondContact O-N 3.14Å; V506-K575 HydrophobicContact CG2-CB 3.88Å; F573-K575 HydrophobicContact CD2-CB 4.38Å; F573-K575 HydrophobicContact CE2-CB 4.01Å; K575-L577 HydrophobicContact CD-CD2 3.83Å; K575-L577 HydrophobicContact CG-CD2 4.03Å; K575-L577 PolarHBondContact O-N 3.12Å
576	T	86.1	Confident	88.8	Confident	68 Å²	68	61.9 Å²	61.9	42%	0.417	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	116	169.2	-57.4	0	0	0	0	108.5	P501	P501-T576 HydrophobicContact CB-CG2 3.46Å; P501-T576 VanDerWaalsContact CB-CG2 3.46Å
577	L	84.7	Confident	89.1	Confident	52 Å²	52	57.1 Å²	57.1	27%	0.272	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.3	173.9	-59.3	177.4	0	0	0	108.4	L498 P501 K502 V504 K575	L498-L577 HydrophobicContact CD1-CB 4.17Å; L498-L577 WeakPolarHBondContact CD1-O 3.31Å; P501-L577 CarbonylContact C-O 3.44Å; P501-L577 VanDerWaalsContact CA-O 3.27Å; P501-L577 WeakPolarHBondContact CA-O 3.33Å; K502-L577 PolarHBondContact N-O 3.21Å; K502-L577 PolarHBondContact O-N 3.15Å; V504-L577 HydrophobicContact CG1-CD1 4.14Å; V504-L577 HydrophobicContact CG2-CD1 3.74Å; V504-L577 HydrophobicContact CG2-CG 3.94Å; K575-L577 HydrophobicContact CD-CD2 3.83Å; K575-L577 HydrophobicContact CG-CD2 4.03Å; K575-L577 PolarHBondContact O-N 3.12Å
578	H	87.3	Confident	89.4	Confident	120 Å²	120	56.7 Å²	56.7	56%	0.556	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	-18.2	173.2	-68.4	-88.3	0	0	0	112.3	L498	L498-H578 PolarHBondContact N-O 3.27Å
579	V	89.3	Confident	89.7	Confident	57 Å²	57	56.6 Å²	56.6	35%	0.345	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.6	-179.1	-60.6	0	0	0	0	109.4	K496	K496-V579 CarbonylContact O-C 3.57Å; K496-V579 VanDerWaalsContact O-CA 3.27Å; K496-V579 WeakPolarHBondContact O-CA 3.08Å
580	E	88.1	Confident	90.2	Very high	73 Å²	73	55.9 Å²	55.9	34%	0.341	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.2	166.5	63.3	-175.5	162.6	0	0	110	E495 K496 L498 V582	E495-E580 WeakPolarHBondContact CA-O 3.36Å; K496-E580 HydrophobicContact CB-CG 3.83Å; K496-E580 WeakPolarHBondContact CD-OE1 3.31Å; K496-E580 HydrophobicContact CG-CG 4.44Å; K496-E580 PolarHBondContact N-O 3.22Å; K496-E580 PolarHBondContact O-N 3.01Å; L498-E580 HydrophobicContact CD2-CB 3.95Å; L498-E580 HydrophobicContact CD2-CG 3.97Å; L498-E580 HydrophobicContact CG-CB 4.36Å; E580-V582 HydrophobicContact CG-CG2 4.16Å
581	E	90.3	Very high	90.6	Very high	140 Å²	140	54.5 Å²	54.5	65%	0.654	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	127.8	171	-70.4	-178	-170.5	0	0	109.3	V493 A494	V493-E581 HydrophobicContact CG2-CB 4.32Å; V493-E581 HydrophobicContact CG2-CG 4.18Å; A494-E581 CarbonylContact O-C 3.52Å; A494-E581 WeakPolarHBondContact O-CA 3.41Å
582	V	91.1	Very high	91.1	Very high	11 Å²	11	51.1 Å²	51.1	7%	0.067	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.1	179.5	-178.4	0	0	0	0	108.2	L331 D368 A494 K496 E580 P584	L331-V582 HydrophobicContact CD1-CG1 4.25Å; D368-V582 HydrophobicContact CB-CG1 4.48Å; A494-V582 PolarHBondContact N-O 3.4Å; A494-V582 PolarHBondContact O-N 3.08Å; K496-V582 HydrophobicContact CB-CG2 4.17Å; E580-V582 HydrophobicContact CG-CG2 4.16Å; V582-P584 WeakPolarHBondContact O-CD 3.22Å
583	V	88.8	Confident	91.5	Very high	44 Å²	44	44.6 Å²	44.6	27%	0.267	23%	0.225	S	C	.	.			trans	-84.6	111.8	165.5	-166.8	0	0	0	0	107.1	P369 C478 L481 K482 V493	P369-V583 VanDerWaalsContact CG-O 3.23Å; P369-V583 WeakPolarHBondContact CG-O 3.19Å; C478-V583 HydrophobicContact CB-CB 4.27Å; C478-V583 HydrophobicContact CB-CG1 3.56Å; L481-V583 HydrophobicContact CB-CG1 4.49Å; K482-V583 HydrophobicContact CG-CG1 4.14Å; V493-V583 HydrophobicContact CG1-CG2 4.02Å
584	P	92.1	Very high	92.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.			trans	-62	144.9	-174.8	-15.9	26	0	0	0	112	F320 L331 F366 V367 C478 L481 V582	F320-P584 HydrophobicContact CE2-CG 3.83Å; F320-P584 HydrophobicContact CZ-CG 3.59Å; L331-P584 HydrophobicContact CD1-CB 4.15Å; L331-P584 HydrophobicContact CD1-CG 4.03Å; L331-P584 HydrophobicContact CD2-CB 4.18Å; L331-P584 HydrophobicContact CD2-CG 4.1Å; F366-P584 HydrophobicContact CB-CB 4.02Å; F366-P584 HydrophobicContact CD1-CB 4.18Å; V367-P584 WeakPolarHBondContact O-CA 3.13Å; C478-P584 WeakPolarHBondContact CB-O 3.27Å; L481-P584 HydrophobicContact CD1-CB 4.41Å; L481-P584 HydrophobicContact CD1-CG 4.06Å; V582-P584 WeakPolarHBondContact O-CD 3.22Å
585	S	91.8	Very high	92.7	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	151.2	159.9	-165.5	0	0	0	0	109.2	F366 V367 K372 D475 S477	F366-S585 WeakPolarHBondContact CA-O 3.4Å; V367-S585 PolarHBondContact N-O 2.9Å; V367-S585 PolarHBondContact O-N 2.85Å; K372-S585 VanDerWaalsContact CE-CB 3.49Å; K372-S585 WeakPolarHBondContact CE-OG 3.46Å; K372-S585 PolarHBondContact NZ-OG 2.82Å; D475-S585 PolarHBondContact OD1-OG 3.11Å; S477-S585 WeakPolarHBondContact CA-OG 3.49Å; S477-S585 CarbonylContact O-C 3.48Å; S477-S585 VanDerWaalsContact O-CA 3.24Å; S477-S585 WeakPolarHBondContact O-CA 3.28Å
586	V	93.8	Very high	93.4	Very high	4 Å²	4	33 Å²	33	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.5	-178.8	-170.6	0	0	0	0	110.6	F317 E364 H365 F366 D475 R476 S477	F317-V586 HydrophobicContact CE1-CG1 4.17Å; F317-V586 HydrophobicContact CE1-CG2 4.28Å; E364-V586 HydrophobicContact CB-CG1 3.97Å; E364-V586 WeakPolarHBondContact OE2-CG1 3.43Å; H365-V586 WeakPolarHBondContact O-CA 3.45Å; F366-V586 HydrophobicContact CD1-CG2 3.64Å; F366-V586 HydrophobicContact CE1-CG2 3.69Å; D475-V586 CarbonylContact C-O 3.52Å; R476-V586 PolarHBondContact N-O 3.46Å; S477-V586 PolarHBondContact O-N 3.11Å
587	I	95.9	Very high	94	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.5	165.4	-51.9	-57.8	0	0	0	108	H365 V417 L418 F421 A474 D475 P589	H365-I587 HydrophobicContact CB-CB 4.29Å; H365-I587 PolarHBondContact N-O 3.02Å; H365-I587 PolarHBondContact O-N 3.49Å; V417-I587 HydrophobicContact CB-CG1 4.44Å; V417-I587 HydrophobicContact CG1-CB 4.44Å; V417-I587 HydrophobicContact CG1-CG1 3.75Å; L418-I587 HydrophobicContact CD1-CG2 3.98Å; F421-I587 HydrophobicContact CD2-CB 4.44Å; F421-I587 HydrophobicContact CD2-CG2 3.86Å; F421-I587 HydrophobicContact CE2-CB 4.49Å; F421-I587 HydrophobicContact CE2-CG2 4.37Å; A474-I587 CarbonylContact O-C 3.54Å; A474-I587 WeakPolarHBondContact O-CA 3.3Å; D475-I587 HydrophobicContact CB-CD1 3.53Å; D475-I587 WeakPolarHBondContact OD2-CD1 3.3Å; I587-P589 WeakPolarHBondContact O-CD 3.26Å
588	E	96.7	Very high	94.6	Very high	16 Å²	16	27.3 Å²	27.3	8%	0.075	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	97.7	-175.4	-175.8	-166.9	105.2	0	0	111.6	I363 C473 A474 R476	I363-E588 VanDerWaalsContact O-CA 3.29Å; I363-E588 WeakPolarHBondContact O-CA 3.35Å; C473-E588 CarbonylContact C-O 3.6Å; C473-E588 VanDerWaalsContact CA-O 3.29Å; C473-E588 WeakPolarHBondContact CA-O 3.22Å; A474-E588 PolarHBondContact N-O 2.92Å; A474-E588 PolarHBondContact O-N 3.45Å; R476-E588 WeakPolarHBondContact CD-OE2 3.31Å; R476-E588 HydrophobicContact CG-CB 4.44Å; R476-E588 IonicContact CZ-OE2 3.13Å; R476-E588 IonicContact NE-OE2 2.96Å; R476-E588 IonicContact NH1-OE1 3.53Å; R476-E588 IonicContact NH1-OE2 3.99Å; R476-E588 PolarHBondContact NH1-OE2 3.13Å
589	P	98.1	Very high	95.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111.5	158.1	-22.1	34.9	0	0	0	112	E362 I363 F421 I425 G472 I587 F591	E362-P589 WeakPolarHBondContact CA-O 3.48Å; I363-P589 HydrophobicContact CB-CB 4.39Å; I363-P589 HydrophobicContact CB-CG 4.34Å; I363-P589 HydrophobicContact CD1-CB 4.41Å; I363-P589 PolarHBondContact N-O 3.11Å; I363-P589 VanDerWaalsContact O-CD 3.29Å; I363-P589 WeakPolarHBondContact O-CD 3.38Å; F421-P589 HydrophobicContact CB-CG 4.07Å; F421-P589 HydrophobicContact CD1-CG 3.59Å; F421-P589 HydrophobicContact CD2-CG 4.38Å; F421-P589 HydrophobicContact CE1-CG 4.1Å; F421-P589 HydrophobicContact CG-CG 3.76Å; I425-P589 HydrophobicContact CD1-CB 4.28Å; G472-P589 CarbonylContact O-C 3.49Å; G472-P589 WeakPolarHBondContact O-CA 3.38Å; I587-P589 WeakPolarHBondContact O-CD 3.26Å; P589-F591 HydrophobicContact CB-CD2 4.42Å; P589-F591 HydrophobicContact CB-CE2 3.57Å; P589-F591 HydrophobicContact CB-CZ 4.12Å
590	S	97.9	Very high	95.6	Very high	16 Å²	16	18.9 Å²	18.9	11%	0.112	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.4	-179.9	-177.4	0	0	0	0	111.7	M360 E362 V471 G472	M360-S590 WeakPolarHBondContact CE-OG 3.13Å; E362-S590 WeakPolarHBondContact CG-OG 3.4Å; E362-S590 WeakPolarHBondContact OE1-CB 3.39Å; E362-S590 PolarHBondContact OE1-OG 2.74Å; V471-S590 CarbonylContact C-O 3.58Å; V471-S590 WeakPolarHBondContact CA-O 3.46Å; V471-S590 WeakPolarHBondContact CG1-O 3.07Å; G472-S590 PolarHBondContact N-O 2.91Å; G472-S590 PolarHBondContact O-N 2.9Å
591	F	98.8	Very high	96.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.7	-170.7	-60.5	-106.5	0	0	0	112.1	W177 F181 M360 A361 I363 I425 Y428 V471 P589 I593 I596	W177-F591 AromaticContact CE2-CD2 3.88Å; W177-F591 AromaticContact CE2-CE2 3.89Å; W177-F591 AromaticContact CZ2-CD2 3.83Å; W177-F591 HydrophobicContact CZ2-CD2 3.83Å; W177-F591 AromaticContact CZ2-CE2 3.81Å; W177-F591 HydrophobicContact CZ2-CE2 3.81Å; W177-F591 AromaticContact NE1-CD1 3.52Å; W177-F591 AromaticContact NE1-CD2 3.32Å; W177-F591 VanDerWaalsContact NE1-CD2 3.32Å; W177-F591 AromaticContact NE1-CE1 3.56Å; W177-F591 AromaticContact NE1-CE2 3.34Å; W177-F591 VanDerWaalsContact NE1-CE2 3.34Å; W177-F591 AromaticContact NE1-CG 3.41Å; W177-F591 AromaticContact NE1-CZ 3.47Å; F181-F591 HydrophobicContact CD2-CZ 4.3Å; F181-F591 AromaticContact CE1-CZ 3.93Å; F181-F591 HydrophobicContact CE1-CZ 3.93Å; F181-F591 AromaticContact CE2-CE1 3.82Å; F181-F591 HydrophobicContact CE2-CE1 3.82Å; F181-F591 HydrophobicContact CE2-CE2 4.46Å; F181-F591 AromaticContact CE2-CZ 3.6Å; F181-F591 HydrophobicContact CE2-CZ 3.6Å; F181-F591 AromaticContact CZ-CE1 3.79Å; F181-F591 HydrophobicContact CZ-CE1 3.79Å; F181-F591 HydrophobicContact CZ-CE2 4.45Å; F181-F591 AromaticContact CZ-CZ 3.39Å; F181-F591 HydrophobicContact CZ-CZ 3.39Å; M360-F591 WeakPolarHBondContact CA-O 3.44Å; A361-F591 HydrophobicContact CB-CB 4.26Å; A361-F591 PolarHBondContact N-O 2.86Å; A361-F591 VanDerWaalsContact N-O 3.12Å; A361-F591 WeakPolarHBondContact O-CB 3.4Å; A361-F591 VanDerWaalsContact O-CD2 3.22Å; A361-F591 WeakPolarHBondContact O-CD2 3.34Å; A361-F591 PolarHBondContact O-N 3.1Å; I363-F591 HydrophobicContact CD1-CE2 4.17Å; I425-F591 HydrophobicContact CG1-CE1 3.98Å; I425-F591 HydrophobicContact CG1-CZ 3.73Å; I425-F591 HydrophobicContact CG2-CE1 4.44Å; Y428-F591 HydrophobicContact CD1-CD1 4.23Å; Y428-F591 AromaticContact CD1-CE1 3.91Å; Y428-F591 HydrophobicContact CD1-CE1 3.91Å; Y428-F591 HydrophobicContact CE1-CD1 4.04Å; Y428-F591 HydrophobicContact CE1-CE1 4.17Å; V471-F591 HydrophobicContact CB-CD1 4.24Å; V471-F591 HydrophobicContact CG1-CD1 3.74Å; V471-F591 HydrophobicContact CG1-CD2 4.23Å; V471-F591 HydrophobicContact CG1-CE1 3.82Å; V471-F591 HydrophobicContact CG1-CE2 4.33Å; V471-F591 HydrophobicContact CG1-CG 3.95Å; V471-F591 HydrophobicContact CG1-CZ 4.12Å; V471-F591 HydrophobicContact CG2-CB 4.41Å; V471-F591 HydrophobicContact CG2-CD1 3.39Å; V471-F591 HydrophobicContact CG2-CE1 3.9Å; V471-F591 HydrophobicContact CG2-CG 4.07Å; P589-F591 HydrophobicContact CB-CD2 4.42Å; P589-F591 HydrophobicContact CB-CE2 3.57Å; P589-F591 HydrophobicContact CB-CZ 4.12Å; F591-I593 HydrophobicContact CB-CD1 4.28Å; F591-I593 PolarHBondContact O-N 3.11Å; F591-I596 HydrophobicContact CB-CD1 3.97Å; F591-I596 HydrophobicContact CD1-CD1 4.17Å
592	G	98.1	Very high	96.4	Very high	13 Å²	13	9.4 Å²	9.4	13%	0.134	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	88	173.7	0	0	0	0	0	112.4	I470 G594 R595 I596	I470-G592 PolarHBondContact O-N 3.43Å; G592-G594 VanDerWaalsContact C-N 3.27Å; G592-G594 PolarHBondContact O-N 3.27Å; G592-G594 VanDerWaalsContact O-N 3.17Å; G592-R595 PolarHBondContact O-N 3.22Å; G592-I596 WeakPolarHBondContact O-CG1 3.45Å; G592-I596 PolarHBondContact O-N 2.86Å
593	I	98.5	Very high	96.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-56.7	-38.2	-172.2	-55.2	-59.8	0	0	0	112.9	K170 I173 L174 T359 A361 F591 I596 M597	K170-I593 HydrophobicContact CG-CG2 4.19Å; I173-I593 HydrophobicContact CG2-CG2 4.44Å; L174-I593 HydrophobicContact CD2-CD1 3.82Å; L174-I593 HydrophobicContact CD2-CG1 3.84Å; L174-I593 HydrophobicContact CD2-CG2 4.36Å; T359-I593 HydrophobicContact CG2-CG1 4.33Å; T359-I593 WeakPolarHBondContact O-CB 3.45Å; T359-I593 WeakPolarHBondContact O-CG1 3.43Å; T359-I593 PolarHBondContact O-N 3.46Å; A361-I593 HydrophobicContact CB-CD1 4.13Å; F591-I593 HydrophobicContact CB-CD1 4.28Å; F591-I593 PolarHBondContact O-N 3.11Å; I593-I596 HydrophobicContact CD1-CD1 4.29Å; I593-I596 PolarHBondContact O-N 3.06Å; I593-M597 WeakPolarHBondContact O-CB 3.47Å; I593-M597 PolarHBondContact O-N 3.32Å
594	G	97.7	Very high	97.1	Very high	12 Å²	12	8.3 Å²	8.3	12%	0.124	5%	0.046	C	C	.	.	H	α-helix	trans	-61.7	-42	175.7	0	0	0	0	0	113	G592 Y598	G592-G594 VanDerWaalsContact C-N 3.27Å; G592-G594 PolarHBondContact O-N 3.27Å; G592-G594 VanDerWaalsContact O-N 3.17Å; G594-Y598 PolarHBondContact O-N 2.82Å
595	R	98.4	Very high	97.4	Very high	65 Å²	65	9 Å²	9	25%	0.245	5%	0.049	C	C	.	.	H	α-helix	trans	-69.8	-45.3	177	-61.6	-170.2	176.2	163.7	4.2	111.5	I353 E469 I470 G592 M597 Y598 T599	I353-R595 PolarHBondContact O-NE 2.8Å; E469-R595 WeakPolarHBondContact O-CD 3.45Å; E469-R595 PolarHBondContact O-NH1 3.21Å; E469-R595 IonicContact OE2-NH1 3.58Å; E469-R595 PolarHBondContact OE2-NH1 2.76Å; I470-R595 HydrophobicContact CB-CB 4.25Å; I470-R595 HydrophobicContact CG2-CB 3.78Å; G592-R595 PolarHBondContact O-N 3.22Å; R595-M597 VanDerWaalsContact C-N 3.29Å; R595-M597 PolarHBondContact O-N 2.89Å; R595-Y598 PolarHBondContact O-N 3.32Å; R595-Y598 VanDerWaalsContact O-N 3.12Å; R595-T599 PolarHBondContact O-N 3.19Å; R595-T599 PolarHBondContact O-OG1 3.11Å
596	I	98.7	Very high	97.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-55.1	-47.6	176.1	-66.4	164	0	0	0	110.3	Y428 L429 V432 I470 V471 F591 G592 I593 Y598 T599 I600	Y428-I596 HydrophobicContact CE1-CD1 4.32Å; L429-I596 HydrophobicContact CD2-CD1 4.28Å; L429-I596 HydrophobicContact CD2-CG1 4.1Å; L429-I596 HydrophobicContact CD2-CG2 4.2Å; V432-I596 HydrophobicContact CG2-CG2 4.25Å; I470-I596 HydrophobicContact CB-CG1 4.07Å; I470-I596 HydrophobicContact CD1-CG1 4.12Å; I470-I596 HydrophobicContact CG1-CG1 4.43Å; V471-I596 HydrophobicContact CG2-CD1 4.13Å; F591-I596 HydrophobicContact CB-CD1 3.97Å; F591-I596 HydrophobicContact CD1-CD1 4.17Å; G592-I596 WeakPolarHBondContact O-CG1 3.45Å; G592-I596 PolarHBondContact O-N 2.86Å; I593-I596 HydrophobicContact CD1-CD1 4.29Å; I593-I596 PolarHBondContact O-N 3.06Å; I596-Y598 PolarHBondContact O-N 2.99Å; I596-T599 WeakPolarHBondContact O-CB 3.26Å; I596-T599 PolarHBondContact O-N 3.32Å; I596-I600 HydrophobicContact CG2-CD1 3.96Å; I596-I600 VanDerWaalsContact O-CG1 3.3Å; I596-I600 WeakPolarHBondContact O-CG1 3.33Å; I596-I600 PolarHBondContact O-N 2.9Å
597	M	98.4	Very high	97.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.5	-39.2	178.5	-175.7	169.3	47.6	0	0	112.5	F162 L169 K170 I173 L352 I593 R595 I600 F601	F162-M597 HydrophobicContact CD1-CE 3.87Å; F162-M597 HydrophobicContact CE1-CE 3.07Å; F162-M597 HydrophobicContact CE1-SD 4.26Å; F162-M597 HydrophobicContact CE2-CE 4.43Å; F162-M597 HydrophobicContact CZ-CE 3.41Å; F162-M597 VanDerWaalsContact CZ-CE 3.41Å; L169-M597 HydrophobicContact CB-SD 4.48Å; L169-M597 HydrophobicContact CD2-CG 3.86Å; L169-M597 HydrophobicContact CD2-SD 4.09Å; L169-M597 HydrophobicContact CG-CG 4.37Å; L169-M597 HydrophobicContact CG-SD 4.24Å; K170-M597 HydrophobicContact CB-CE 4.45Å; K170-M597 HydrophobicContact CB-SD 4.12Å; I173-M597 HydrophobicContact CD1-CB 4.05Å; I173-M597 HydrophobicContact CD1-CG 4.13Å; L352-M597 HydrophobicContact CD1-CE 4.37Å; I593-M597 WeakPolarHBondContact O-CB 3.47Å; I593-M597 PolarHBondContact O-N 3.32Å; R595-M597 VanDerWaalsContact C-N 3.29Å; R595-M597 PolarHBondContact O-N 2.89Å; M597-I600 PolarHBondContact O-N 3.03Å; M597-F601 HydrophobicContact CG-CE1 4.19Å; M597-F601 HydrophobicContact CG-CE2 3.74Å; M597-F601 HydrophobicContact CG-CZ 3.54Å; M597-F601 WeakPolarHBondContact O-CD2 3.06Å; M597-F601 WeakPolarHBondContact O-CG 3.47Å; M597-F601 PolarHBondContact O-N 2.77Å; M597-F601 HydrophobicContact SD-CE2 4.46Å; M597-F601 HydrophobicContact SD-CZ 4Å
598	Y	98.1	Very high	97.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-43.5	174.6	-170.9	-95.4	0	0	0	112.3	M136 L352 I353 Y465 G594 R595 I596 I600 F601 E602	M136-Y598 HydrophobicContact CE-CE2 4.2Å; L352-Y598 HydrophobicContact CB-CD2 4.27Å; I353-Y598 HydrophobicContact CD1-CD1 3.92Å; I353-Y598 HydrophobicContact CD1-CE1 3.81Å; I353-Y598 HydrophobicContact CG1-CD1 3.86Å; I353-Y598 HydrophobicContact CG1-CE1 4.2Å; I353-Y598 HydrophobicContact CG1-CG 4.34Å; Y465-Y598 HydrophobicContact CD2-CE1 4.17Å; Y465-Y598 AromaticContact CE2-CE1 3.98Å; Y465-Y598 HydrophobicContact CE2-CE1 3.98Å; Y465-Y598 AromaticContact CE2-CZ 3.97Å; Y465-Y598 WeakPolarHBondContact CE2-OH 3.19Å; G594-Y598 PolarHBondContact O-N 2.82Å; R595-Y598 PolarHBondContact O-N 3.32Å; R595-Y598 VanDerWaalsContact O-N 3.12Å; I596-Y598 PolarHBondContact O-N 2.99Å; Y598-I600 VanDerWaalsContact C-N 3.31Å; Y598-I600 PolarHBondContact O-N 3.03Å; Y598-F601 HydrophobicContact CD2-CD2 4.43Å; Y598-F601 WeakPolarHBondContact O-CB 3.48Å; Y598-F601 PolarHBondContact O-N 2.81Å; Y598-F601 VanDerWaalsContact O-N 3.13Å; Y598-E602 HydrophobicContact CE1-CG 3.95Å; Y598-E602 VanDerWaalsContact CE1-OE1 3.22Å; Y598-E602 WeakPolarHBondContact CE1-OE1 3.02Å; Y598-E602 PolarHBondContact O-N 3.21Å; Y598-E602 VanDerWaalsContact O-N 3.09Å; Y598-E602 PolarHBondContact OH-OE1 2.86Å
599	T	97.9	Very high	97.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-43.6	173.2	-62	0	0	0	0	111.5	V434 T461 R595 I596 F601 E602 H603	V434-T599 HydrophobicContact CG1-CG2 4.18Å; V434-T599 HydrophobicContact CG2-CG2 4.04Å; T461-T599 HydrophobicContact CG2-CG2 3.83Å; T461-T599 WeakPolarHBondContact OG1-CG2 3.43Å; T461-T599 PolarHBondContact OG1-OG1 3.43Å; R595-T599 PolarHBondContact O-N 3.19Å; R595-T599 PolarHBondContact O-OG1 3.11Å; I596-T599 WeakPolarHBondContact O-CB 3.26Å; I596-T599 PolarHBondContact O-N 3.32Å; T599-F601 VanDerWaalsContact C-N 3.3Å; T599-F601 PolarHBondContact O-N 3.18Å; T599-E602 PolarHBondContact O-N 3.38Å; T599-H603 WeakPolarHBondContact CG2-CE1 3.41Å; T599-H603 WeakPolarHBondContact O-CB 3.38Å; T599-H603 PolarHBondContact O-CD2 2.91Å; T599-H603 VanDerWaalsContact O-CG 3.29Å; T599-H603 PolarHBondContact O-N 2.79Å
600	I	98.2	Very high	96.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61	-40.5	176.3	-66.7	161.6	0	0	0	110.5	I173 V432 V434 I596 M597 Y598 T604 F619	I173-I600 HydrophobicContact CD1-CD1 3.65Å; I173-I600 HydrophobicContact CG1-CD1 4.21Å; V432-I600 HydrophobicContact CB-CD1 3.94Å; V432-I600 HydrophobicContact CG2-CD1 3.74Å; V432-I600 HydrophobicContact CG2-CG1 4.42Å; V432-I600 WeakPolarHBondContact O-CD1 3.17Å; V434-I600 HydrophobicContact CG2-CG1 4.36Å; I596-I600 HydrophobicContact CG2-CD1 3.96Å; I596-I600 VanDerWaalsContact O-CG1 3.3Å; I596-I600 WeakPolarHBondContact O-CG1 3.33Å; I596-I600 PolarHBondContact O-N 2.9Å; M597-I600 PolarHBondContact O-N 3.03Å; Y598-I600 VanDerWaalsContact C-N 3.31Å; Y598-I600 PolarHBondContact O-N 3.03Å; I600-T604 HydrophobicContact CG2-CG2 4.16Å; I600-T604 VanDerWaalsContact O-CB 3.32Å; I600-T604 WeakPolarHBondContact O-CB 3.43Å; I600-T604 WeakPolarHBondContact O-CG2 3.48Å; I600-T604 PolarHBondContact O-N 2.88Å; I600-T604 PolarHBondContact O-OG1 3.13Å; I600-F619 HydrophobicContact CG2-CD1 3.65Å; I600-F619 HydrophobicContact CG2-CE1 3.8Å
601	F	98.4	Very high	96.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.7	-52.7	174.4	-61.7	-40.6	0	0	0	111.5	M136 L140 F145 Y146 L169 L352 M597 Y598 T599 H603 T604 F605 F617 F619	M136-F601 VanDerWaalsContact SD-C 3.59Å; M136-F601 HydrophobicContact SD-CB 3.88Å; L140-F601 HydrophobicContact CD1-CB 4.31Å; L140-F601 HydrophobicContact CD1-CD2 3.97Å; L140-F601 HydrophobicContact CD1-CG 4.19Å; L140-F601 HydrophobicContact CD2-CB 4.49Å; L140-F601 HydrophobicContact CD2-CD1 3.74Å; L140-F601 HydrophobicContact CD2-CD2 3.93Å; L140-F601 HydrophobicContact CD2-CE1 3.82Å; L140-F601 HydrophobicContact CD2-CE2 4.02Å; L140-F601 HydrophobicContact CD2-CG 3.82Å; L140-F601 HydrophobicContact CD2-CZ 3.98Å; F145-F601 HydrophobicContact CB-CZ 4.47Å; F145-F601 AromaticContact CD1-CE1 3.6Å; F145-F601 HydrophobicContact CD1-CE1 3.6Å; F145-F601 AromaticContact CD1-CZ 3.85Å; F145-F601 HydrophobicContact CD1-CZ 3.85Å; F145-F601 AromaticContact CE1-CE1 3.85Å; F145-F601 HydrophobicContact CE1-CE1 3.85Å; F145-F601 HydrophobicContact CG-CE1 4.48Å; Y146-F601 HydrophobicContact CD1-CE2 4.16Å; Y146-F601 HydrophobicContact CE1-CD2 4.41Å; Y146-F601 AromaticContact CE1-CE2 3.98Å; Y146-F601 HydrophobicContact CE1-CE2 3.98Å; L169-F601 HydrophobicContact CD2-CD1 4.21Å; L169-F601 HydrophobicContact CD2-CE1 3.32Å; L169-F601 HydrophobicContact CD2-CZ 3.83Å; L352-F601 HydrophobicContact CD1-CE2 4.33Å; M597-F601 HydrophobicContact CG-CE1 4.19Å; M597-F601 HydrophobicContact CG-CE2 3.74Å; M597-F601 HydrophobicContact CG-CZ 3.54Å; M597-F601 WeakPolarHBondContact O-CD2 3.06Å; M597-F601 WeakPolarHBondContact O-CG 3.47Å; M597-F601 PolarHBondContact O-N 2.77Å; M597-F601 HydrophobicContact SD-CE2 4.46Å; M597-F601 HydrophobicContact SD-CZ 4Å; Y598-F601 HydrophobicContact CD2-CD2 4.43Å; Y598-F601 WeakPolarHBondContact O-CB 3.48Å; Y598-F601 PolarHBondContact O-N 2.81Å; Y598-F601 VanDerWaalsContact O-N 3.13Å; T599-F601 VanDerWaalsContact C-N 3.3Å; T599-F601 PolarHBondContact O-N 3.18Å; F601-H603 PolarHBondContact O-N 2.74Å; F601-T604 PolarHBondContact O-N 3.43Å; F601-F605 VanDerWaalsContact O-CB 3.24Å; F601-F605 WeakPolarHBondContact O-CB 3.28Å; F601-F605 PolarHBondContact O-N 2.96Å; F601-F617 HydrophobicContact CB-CE1 3.98Å; F601-F617 HydrophobicContact CD1-CD1 4.46Å; F601-F617 HydrophobicContact CD1-CE1 4.13Å; F601-F617 HydrophobicContact CG-CE1 4.45Å; F601-F617 WeakPolarHBondContact O-CE1 3.26Å; F601-F619 AromaticContact CD1-CE1 3.88Å; F601-F619 HydrophobicContact CD1-CE1 3.88Å; F601-F619 AromaticContact CD1-CZ 3.76Å; F601-F619 HydrophobicContact CD1-CZ 3.76Å; F601-F619 HydrophobicContact CE1-CE1 4.26Å; F601-F619 AromaticContact CE1-CZ 3.86Å; F601-F619 HydrophobicContact CE1-CZ 3.86Å
602	E	97.3	Very high	95.4	Very high	13 Å²	13	38.9 Å²	38.9	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-42.1	-178.7	-74.2	-159.2	-179.1	0	0	112.8	V131 M136 T463 S464 Y598 T599 T604	V131-E602 HydrophobicContact CG1-CB 4.14Å; V131-E602 HydrophobicContact CG1-CG 3.9Å; M136-E602 HydrophobicContact CE-CG 3.68Å; M136-E602 HydrophobicContact SD-CB 4.38Å; M136-E602 HydrophobicContact SD-CG 3.87Å; T463-E602 WeakPolarHBondContact CA-OE2 3.49Å; T463-E602 WeakPolarHBondContact CB-OE2 3.37Å; S464-E602 WeakPolarHBondContact CB-OE1 3.45Å; S464-E602 PolarHBondContact N-OE1 2.93Å; S464-E602 PolarHBondContact N-OE2 3.05Å; S464-E602 PolarHBondContact OG-OE1 3.15Å; Y598-E602 HydrophobicContact CE1-CG 3.95Å; Y598-E602 VanDerWaalsContact CE1-OE1 3.22Å; Y598-E602 WeakPolarHBondContact CE1-OE1 3.02Å; Y598-E602 PolarHBondContact O-N 3.21Å; Y598-E602 VanDerWaalsContact O-N 3.09Å; Y598-E602 PolarHBondContact OH-OE1 2.86Å; T599-E602 PolarHBondContact O-N 3.38Å; E602-T604 VanDerWaalsContact C-N 3.28Å; E602-T604 PolarHBondContact O-N 2.98Å
603	H	96.8	Very high	95	Very high	27 Å²	27	46.1 Å²	46.1	13%	0.125	24%	0.243	C	C	.	.	H	α-helix	trans	-75.9	-18.2	-174.5	-69.3	-166.1	0	0	0	113.1	A435 K438 K462 T599 F601	A435-H603 HydrophobicContact CB-CB 4.29Å; A435-H603 PolarHBondContact N-ND1 2.92Å; K438-H603 VanDerWaalsContact CB-CE1 3.42Å; K438-H603 WeakPolarHBondContact CB-CE1 3.36Å; K462-H603 PolarHBondContact O-NE2 3.02Å; T599-H603 WeakPolarHBondContact CG2-CE1 3.41Å; T599-H603 WeakPolarHBondContact O-CB 3.38Å; T599-H603 PolarHBondContact O-CD2 2.91Å; T599-H603 VanDerWaalsContact O-CG 3.29Å; T599-H603 PolarHBondContact O-N 2.79Å; F601-H603 PolarHBondContact O-N 2.74Å
604	T	97.4	Very high	94.7	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-112.6	-3.3	-178.9	67.2	0	0	0	0	113.3	I600 F601 E602 H606 F617 S618 F619	I600-T604 HydrophobicContact CG2-CG2 4.16Å; I600-T604 VanDerWaalsContact O-CB 3.32Å; I600-T604 WeakPolarHBondContact O-CB 3.43Å; I600-T604 WeakPolarHBondContact O-CG2 3.48Å; I600-T604 PolarHBondContact O-N 2.88Å; I600-T604 PolarHBondContact O-OG1 3.13Å; F601-T604 PolarHBondContact O-N 3.43Å; E602-T604 VanDerWaalsContact C-N 3.28Å; E602-T604 PolarHBondContact O-N 2.98Å; T604-H606 PolarHBondContact O-CD2 3.16Å; T604-H606 PolarHBondContact O-NE2 2.73Å; T604-F617 CarbonylContact O-C 3.54Å; T604-F617 VanDerWaalsContact O-CA 3.25Å; T604-F617 WeakPolarHBondContact O-CA 3.26Å; T604-S618 WeakPolarHBondContact CG2-O 3.11Å; T604-S618 PolarHBondContact O-N 3.4Å; T604-F619 HydrophobicContact CG2-CD1 4.42Å; T604-F619 WeakPolarHBondContact OG1-CD1 3.26Å; T604-F619 WeakPolarHBondContact OG1-CE1 3.4Å
605	F	97.7	Very high	94.7	Very high	14 Å²	14	48.2 Å²	48.2	6%	0.061	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.4	178.9	-177.8	-102	0	0	0	111.7	V131 K135 M136 F601 I607 T615 F617	V131-F605 HydrophobicContact CG2-CB 4.12Å; V131-F605 HydrophobicContact CG2-CD1 3.75Å; V131-F605 HydrophobicContact CG2-CG 4.35Å; K135-F605 HydrophobicContact CB-CE1 4.46Å; K135-F605 HydrophobicContact CB-CZ 4.26Å; K135-F605 HydrophobicContact CG-CZ 4.23Å; M136-F605 HydrophobicContact CB-CD1 3.9Å; M136-F605 HydrophobicContact CB-CD2 3.97Å; M136-F605 HydrophobicContact CB-CE1 3.95Å; M136-F605 HydrophobicContact CB-CE2 4.02Å; M136-F605 HydrophobicContact CB-CG 3.88Å; M136-F605 HydrophobicContact CB-CZ 4Å; M136-F605 HydrophobicContact CG-CB 4.03Å; M136-F605 HydrophobicContact CG-CD1 4.28Å; M136-F605 HydrophobicContact CG-CD2 3.75Å; M136-F605 HydrophobicContact CG-CE2 4.21Å; M136-F605 HydrophobicContact CG-CG 3.76Å; M136-F605 HydrophobicContact SD-CB 4.09Å; M136-F605 HydrophobicContact SD-CG 4.42Å; F601-F605 VanDerWaalsContact O-CB 3.24Å; F601-F605 WeakPolarHBondContact O-CB 3.28Å; F601-F605 PolarHBondContact O-N 2.96Å; F605-I607 HydrophobicContact CE1-CG1 4.2Å; F605-T615 HydrophobicContact CE2-CG2 3.91Å; F605-T615 HydrophobicContact CZ-CG2 3.56Å; F605-F617 HydrophobicContact CB-CD1 4.04Å; F605-F617 HydrophobicContact CB-CE1 3.79Å; F605-F617 HydrophobicContact CD2-CD1 4.19Å; F605-F617 AromaticContact CD2-CE1 3.64Å; F605-F617 HydrophobicContact CD2-CE1 3.64Å; F605-F617 HydrophobicContact CD2-CE2 4.19Å; F605-F617 AromaticContact CD2-CZ 3.63Å; F605-F617 HydrophobicContact CD2-CZ 3.63Å; F605-F617 HydrophobicContact CE2-CZ 4.3Å; F605-F617 HydrophobicContact CG-CE1 4.18Å
606	H	95.8	Very high	94.7	Very high	72 Å²	72	46.6 Å²	46.6	33%	0.333	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158.2	177.8	-56.1	-75.1	0	0	0	111.7	T604 T615 Y616 S618	T604-H606 PolarHBondContact O-CD2 3.16Å; T604-H606 PolarHBondContact O-NE2 2.73Å; H606-T615 CarbonylContact O-C 3.58Å; H606-T615 VanDerWaalsContact O-CA 3.3Å; H606-T615 WeakPolarHBondContact O-CA 3.39Å; H606-Y616 HydrophobicContact CB-CD1 3.83Å; H606-Y616 HydrophobicContact CB-CE1 3.29Å; H606-Y616 HydrophobicContact CB-CE2 4.25Å; H606-Y616 HydrophobicContact CB-CG 4.49Å; H606-Y616 AromaticContact CD2-CE2 3.88Å; H606-Y616 AromaticContact CD2-CZ 3.8Å; H606-Y616 AromaticContact CG-CZ 3.87Å; H606-Y616 PolarHBondContact N-O 2.93Å; H606-Y616 PolarHBondContact O-N 3.11Å; H606-S618 PolarHBondContact CD2-OG 3.47Å; H606-S618 PolarHBondContact NE2-OG 2.99Å
607	I	94.8	Very high	94.7	Very high	69 Å²	69	46.6 Å²	46.6	35%	0.354	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136	172.2	-55.5	168.6	0	0	0	106.9	K135 F605 T615	K135-I607 HydrophobicContact CD-CD1 3.72Å; K135-I607 HydrophobicContact CD-CG1 4.22Å; F605-I607 HydrophobicContact CE1-CG1 4.2Å; I607-T615 HydrophobicContact CG1-CG2 4.3Å
608	R	93.1	Very high	94.6	Very high	24 Å²	24	47.7 Å²	47.7	9%	0.091	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140.1	177.5	-67.2	-65.3	-172.9	-177.6	2.3	110.7	G610 D611 R614 Y616 D674 R701 D702 M704	R608-G610 PolarHBondContact O-N 2.72Å; R608-D611 PolarHBondContact O-N 2.89Å; R608-R614 HydrophobicContact CB-CB 3.94Å; R608-R614 HydrophobicContact CG-CB 3.74Å; R608-R614 WeakPolarHBondContact CG-O 3.29Å; R608-R614 PolarHBondContact N-O 3.48Å; R608-Y616 HydrophobicContact CG-CD1 4.21Å; R608-Y616 HydrophobicContact CG-CE1 4.48Å; R608-D674 IonicContact CZ-OD2 2.88Å; R608-D674 IonicContact NE-OD2 3.63Å; R608-D674 IonicContact NH2-OD2 3.89Å; R608-D674 PolarHBondContact NH2-OD2 3.47Å; R608-R701 PolarHBondContact NH1-O 2.99Å; R608-R701 PolarHBondContact NH2-O 2.66Å; R608-D702 PolarHBondContact NH1-O 3.49Å; R608-M704 VanDerWaalsContact CZ-SD 3.5Å; R608-M704 VanDerWaalsContact NH1-CG 3.27Å
609	E	89.1	Confident	94.7	Very high	198 Å²	198	47.7 Å²	47.7	93%	0.925	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	132.3	172.1	-166.1	179.1	-179.6	0	0	110.2	D611	E609-D611 VanDerWaalsContact C-N 3.28Å; E609-D611 PolarHBondContact O-N 3.47Å
610	G	87.1	Confident	94.7	Very high	90 Å²	90	49.5 Å²	49.5	93%	0.928	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-7.5	178.9	0	0	0	0	0	116.1	R608	R608-G610 PolarHBondContact O-N 2.72Å
611	D	87.4	Confident	94.7	Very high	63 Å²	63	50.5 Å²	50.5	34%	0.337	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	93.5	173.7	-171.8	-14.5	0	0	0	110.7	R608 E609 Q613 R614	R608-D611 PolarHBondContact O-N 2.89Å; E609-D611 VanDerWaalsContact C-N 3.28Å; E609-D611 PolarHBondContact O-N 3.47Å; D611-Q613 PolarHBondContact O-N 3.1Å; D611-Q613 VanDerWaalsContact O-N 3.1Å; D611-Q613 WeakPolarHBondContact OD1-CB 3.2Å; D611-Q613 PolarHBondContact OD1-N 3.07Å; D611-R614 HydrophobicContact CB-CB 4.31Å; D611-R614 HydrophobicContact CB-CG 4.22Å; D611-R614 PolarHBondContact O-N 3.46Å; D611-R614 WeakPolarHBondContact OD2-CD 3.37Å; D611-R614 VanDerWaalsContact OD2-CG 3.25Å; D611-R614 WeakPolarHBondContact OD2-CG 3.37Å
612	E	85.3	Confident	94.5	Very high	151 Å²	151	52 Å²	52	71%	0.706	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	-21.7	-179.4	-69.8	-172.4	-175.8	0	0	113.1	K135 R614	K135-E612 WeakPolarHBondContact CE-O 3.29Å; K135-E612 PolarHBondContact NZ-O 2.68Å; E612-R614 VanDerWaalsContact C-N 3.3Å
613	Q	88.5	Confident	94.6	Very high	165 Å²	165	51.4 Å²	51.4	77%	0.771	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	-18.5	179.4	-62.8	-169.1	-11.9	0	0	112.5	D611 T615	D611-Q613 PolarHBondContact O-N 3.1Å; D611-Q613 VanDerWaalsContact O-N 3.1Å; D611-Q613 WeakPolarHBondContact OD1-CB 3.2Å; D611-Q613 PolarHBondContact OD1-N 3.07Å; Q613-T615 PolarHBondContact O-N 2.93Å
614	R	92.9	Very high	94.7	Very high	51 Å²	51	50.1 Å²	50.1	19%	0.192	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	99	-178	-70.8	-177.4	68.6	-171.7	-1.4	110.6	R608 D611 E612 A671 D674	R608-R614 HydrophobicContact CB-CB 3.94Å; R608-R614 HydrophobicContact CG-CB 3.74Å; R608-R614 WeakPolarHBondContact CG-O 3.29Å; R608-R614 PolarHBondContact N-O 3.48Å; D611-R614 HydrophobicContact CB-CB 4.31Å; D611-R614 HydrophobicContact CB-CG 4.22Å; D611-R614 PolarHBondContact O-N 3.46Å; D611-R614 WeakPolarHBondContact OD2-CD 3.37Å; D611-R614 VanDerWaalsContact OD2-CG 3.25Å; D611-R614 WeakPolarHBondContact OD2-CG 3.37Å; E612-R614 VanDerWaalsContact C-N 3.3Å; R614-A671 HydrophobicContact CG-CB 4.18Å; R614-D674 IonicContact NH2-OD2 3.78Å
615	T	96.9	Very high	94.7	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.025	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	154.1	172.1	61.9	0	0	0	0	110.7	K135 T139 F605 H606 I607 Q613 E675	K135-T615 HydrophobicContact CD-CG2 4.2Å; K135-T615 HydrophobicContact CG-CG2 4.16Å; T139-T615 PolarHBondContact OG1-OG1 3.28Å; T139-T615 VanDerWaalsContact OG1-OG1 3.14Å; F605-T615 HydrophobicContact CE2-CG2 3.91Å; F605-T615 HydrophobicContact CZ-CG2 3.56Å; H606-T615 CarbonylContact O-C 3.58Å; H606-T615 VanDerWaalsContact O-CA 3.3Å; H606-T615 WeakPolarHBondContact O-CA 3.39Å; I607-T615 HydrophobicContact CG1-CG2 4.3Å; Q613-T615 PolarHBondContact O-N 2.93Å; T615-E675 WeakPolarHBondContact O-CA 3.2Å; T615-E675 WeakPolarHBondContact O-CG 3.44Å
616	Y	98.2	Very high	94.7	Very high	31 Å²	31	51.8 Å²	51.8	12%	0.122	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	158.7	173.4	74.8	-78.6	0	0	0	111.4	H606 R608 S618 D674 R701 D702	H606-Y616 HydrophobicContact CB-CD1 3.83Å; H606-Y616 HydrophobicContact CB-CE1 3.29Å; H606-Y616 HydrophobicContact CB-CE2 4.25Å; H606-Y616 HydrophobicContact CB-CG 4.49Å; H606-Y616 AromaticContact CD2-CE2 3.88Å; H606-Y616 AromaticContact CD2-CZ 3.8Å; H606-Y616 AromaticContact CG-CZ 3.87Å; H606-Y616 PolarHBondContact N-O 2.93Å; H606-Y616 PolarHBondContact O-N 3.11Å; R608-Y616 HydrophobicContact CG-CD1 4.21Å; R608-Y616 HydrophobicContact CG-CE1 4.48Å; Y616-S618 VanDerWaalsContact CE2-OG 3.24Å; Y616-S618 WeakPolarHBondContact CE2-OG 3.49Å; Y616-D674 WeakPolarHBondContact CA-O 3.39Å; Y616-D674 WeakPolarHBondContact CB-O 3.48Å; Y616-R701 HydrophobicContact CD2-CG 4.14Å; Y616-D702 WeakPolarHBondContact CE2-OD1 3.41Å
617	F	98.6	Very high	94.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.8	172.4	-68.9	-84.7	0	0	0	110.7	M136 T139 L140 F145 F601 T604 F605 F619 E675 G677 R701	M136-F617 HydrophobicContact CG-CE1 4.04Å; M136-F617 HydrophobicContact CG-CZ 4.03Å; M136-F617 HydrophobicContact SD-CE1 4.47Å; T139-F617 HydrophobicContact CG2-CE2 3.97Å; L140-F617 HydrophobicContact CD2-CE1 4.35Å; L140-F617 HydrophobicContact CD2-CE2 4.21Å; L140-F617 HydrophobicContact CD2-CZ 3.65Å; L140-F617 HydrophobicContact CG-CZ 4Å; F145-F617 HydrophobicContact CE2-CD2 4.42Å; F145-F617 HydrophobicContact CE2-CE2 4.04Å; F145-F617 AromaticContact CZ-CD2 4Å; F145-F617 HydrophobicContact CZ-CD2 4Å; F145-F617 AromaticContact CZ-CE2 3.99Å; F145-F617 HydrophobicContact CZ-CE2 3.99Å; F601-F617 HydrophobicContact CB-CE1 3.98Å; F601-F617 HydrophobicContact CD1-CD1 4.46Å; F601-F617 HydrophobicContact CD1-CE1 4.13Å; F601-F617 HydrophobicContact CG-CE1 4.45Å; F601-F617 WeakPolarHBondContact O-CE1 3.26Å; T604-F617 CarbonylContact O-C 3.54Å; T604-F617 VanDerWaalsContact O-CA 3.25Å; T604-F617 WeakPolarHBondContact O-CA 3.26Å; F605-F617 HydrophobicContact CB-CD1 4.04Å; F605-F617 HydrophobicContact CB-CE1 3.79Å; F605-F617 HydrophobicContact CD2-CD1 4.19Å; F605-F617 AromaticContact CD2-CE1 3.64Å; F605-F617 HydrophobicContact CD2-CE1 3.64Å; F605-F617 HydrophobicContact CD2-CE2 4.19Å; F605-F617 AromaticContact CD2-CZ 3.63Å; F605-F617 HydrophobicContact CD2-CZ 3.63Å; F605-F617 HydrophobicContact CE2-CZ 4.3Å; F605-F617 HydrophobicContact CG-CE1 4.18Å; F617-F619 HydrophobicContact CB-CD1 3.98Å; F617-F619 HydrophobicContact CB-CD2 3.78Å; F617-F619 HydrophobicContact CB-CE1 3.65Å; F617-F619 HydrophobicContact CB-CE2 3.45Å; F617-F619 VanDerWaalsContact CB-CE2 3.45Å; F617-F619 HydrophobicContact CB-CG 4.03Å; F617-F619 HydrophobicContact CB-CZ 3.37Å; F617-F619 AromaticContact CD1-CE1 3.86Å; F617-F619 HydrophobicContact CD1-CE1 3.86Å; F617-F619 AromaticContact CD1-CZ 3.73Å; F617-F619 HydrophobicContact CD1-CZ 3.73Å; F617-F619 HydrophobicContact CD2-CE2 4.24Å; F617-F619 HydrophobicContact CD2-CZ 4.02Å; F617-F619 HydrophobicContact CE1-CZ 4.5Å; F617-F619 AromaticContact CG-CE1 3.91Å; F617-F619 HydrophobicContact CG-CE1 3.91Å; F617-F619 AromaticContact CG-CE2 3.88Å; F617-F619 HydrophobicContact CG-CE2 3.88Å; F617-F619 AromaticContact CG-CZ 3.44Å; F617-F619 HydrophobicContact CG-CZ 3.44Å; F617-F619 VanDerWaalsContact CG-CZ 3.44Å; F617-F619 PolarHBondContact O-N 3.44Å; F617-E675 WeakPolarHBondContact CD2-O 3.24Å; F617-G677 WeakPolarHBondContact O-CA 3.44Å; F617-R701 VanDerWaalsContact O-CD 3.27Å; F617-R701 WeakPolarHBondContact O-CD 3.26Å; F617-R701 PolarHBondContact O-NE 3Å; F617-R701 PolarHBondContact O-NH1 2.76Å
618	S	98.1	Very high	95	Very high	23 Å²	23	46 Å²	46	16%	0.161	25%	0.247	C	C	.	.			trans	-72.1	43.5	173	-64.7	0	0	0	0	113.3	T604 H606 Y616 D702	T604-S618 WeakPolarHBondContact CG2-O 3.11Å; T604-S618 PolarHBondContact O-N 3.4Å; H606-S618 PolarHBondContact CD2-OG 3.47Å; H606-S618 PolarHBondContact NE2-OG 2.99Å; Y616-S618 VanDerWaalsContact CE2-OG 3.24Å; Y616-S618 WeakPolarHBondContact CE2-OG 3.49Å; S618-D702 PolarHBondContact OG-OD1 3.38Å
619	F	98.7	Very high	95.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.			trans	-59.2	132.8	177.5	-61	-40.8	0	0	0	110.8	F145 L169 I600 F601 T604 F617 A624 P625 R701	F145-F619 AromaticContact CE1-CE2 3.79Å; F145-F619 HydrophobicContact CE1-CE2 3.79Å; F145-F619 AromaticContact CE1-CZ 3.84Å; F145-F619 HydrophobicContact CE1-CZ 3.84Å; F145-F619 HydrophobicContact CZ-CE2 4Å; F145-F619 HydrophobicContact CZ-CZ 4.22Å; L169-F619 HydrophobicContact CD2-CE1 4.11Å; L169-F619 HydrophobicContact CD2-CE2 4.42Å; L169-F619 HydrophobicContact CD2-CZ 3.96Å; I600-F619 HydrophobicContact CG2-CD1 3.65Å; I600-F619 HydrophobicContact CG2-CE1 3.8Å; F601-F619 AromaticContact CD1-CE1 3.88Å; F601-F619 HydrophobicContact CD1-CE1 3.88Å; F601-F619 AromaticContact CD1-CZ 3.76Å; F601-F619 HydrophobicContact CD1-CZ 3.76Å; F601-F619 HydrophobicContact CE1-CE1 4.26Å; F601-F619 AromaticContact CE1-CZ 3.86Å; F601-F619 HydrophobicContact CE1-CZ 3.86Å; T604-F619 HydrophobicContact CG2-CD1 4.42Å; T604-F619 WeakPolarHBondContact OG1-CD1 3.26Å; T604-F619 WeakPolarHBondContact OG1-CE1 3.4Å; F617-F619 HydrophobicContact CB-CD1 3.98Å; F617-F619 HydrophobicContact CB-CD2 3.78Å; F617-F619 HydrophobicContact CB-CE1 3.65Å; F617-F619 HydrophobicContact CB-CE2 3.45Å; F617-F619 VanDerWaalsContact CB-CE2 3.45Å; F617-F619 HydrophobicContact CB-CG 4.03Å; F617-F619 HydrophobicContact CB-CZ 3.37Å; F617-F619 AromaticContact CD1-CE1 3.86Å; F617-F619 HydrophobicContact CD1-CE1 3.86Å; F617-F619 AromaticContact CD1-CZ 3.73Å; F617-F619 HydrophobicContact CD1-CZ 3.73Å; F617-F619 HydrophobicContact CD2-CE2 4.24Å; F617-F619 HydrophobicContact CD2-CZ 4.02Å; F617-F619 HydrophobicContact CE1-CZ 4.5Å; F617-F619 AromaticContact CG-CE1 3.91Å; F617-F619 HydrophobicContact CG-CE1 3.91Å; F617-F619 AromaticContact CG-CE2 3.88Å; F617-F619 HydrophobicContact CG-CE2 3.88Å; F617-F619 AromaticContact CG-CZ 3.44Å; F617-F619 HydrophobicContact CG-CZ 3.44Å; F617-F619 VanDerWaalsContact CG-CZ 3.44Å; F617-F619 PolarHBondContact O-N 3.44Å; F619-A624 HydrophobicContact CB-CB 4.19Å; F619-P625 HydrophobicContact CD2-CG 4.27Å; F619-P625 HydrophobicContact CE2-CG 4.21Å; F619-R701 VanDerWaalsContact N-NH1 3.13Å; F619-R701 PolarHBondContact O-NH1 3.1Å; F619-R701 PolarHBondContact O-NH2 3.27Å
620	P	98.4	Very high	95.8	Very high	38 Å²	38	35.5 Å²	35.5	25%	0.247	20%	0.199	C	C	.	.			trans	-55.1	142.8	170	-25	33.2	0	0	0	111.1	T622 V623 A624	P620-T622 PolarHBondContact O-N 2.96Å; P620-T622 VanDerWaalsContact O-N 3.1Å; P620-V623 HydrophobicContact CB-CG2 4.14Å; P620-V623 HydrophobicContact CG-CG2 4.22Å; P620-V623 WeakPolarHBondContact O-CG2 3.4Å; P620-V623 PolarHBondContact O-N 3.46Å; P620-A624 PolarHBondContact O-N 2.95Å
621	A	97.7	Very high	96.3	Very high	22 Å²	22	31.2 Å²	31.2	18%	0.182	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.5	-174.8	0	0	0	0	0	112.8	V623 K627 A679 F680	A621-V623 VanDerWaalsContact C-N 3.29Å; A621-V623 PolarHBondContact O-N 2.92Å; A621-K627 VanDerWaalsContact O-CD 3.3Å; A621-K627 WeakPolarHBondContact O-CD 3.34Å; A621-K627 WeakPolarHBondContact O-CE 3.46Å; A621-K627 PolarHBondContact O-NZ 3.4Å; A621-A679 HydrophobicContact CB-CB 4.2Å; A621-F680 HydrophobicContact CB-CE2 3.93Å; A621-F680 HydrophobicContact CB-CZ 4.17Å
622	T	95.4	Very high	96.8	Very high	31 Å²	31	28.2 Å²	28.2	19%	0.19	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-36	176.2	52.7	0	0	0	0	113.1	P620 K627 A722	P620-T622 PolarHBondContact O-N 2.96Å; P620-T622 VanDerWaalsContact O-N 3.1Å; T622-K627 PolarHBondContact O-NZ 3.18Å; T622-A722 VanDerWaalsContact CA-O 3.29Å; T622-A722 WeakPolarHBondContact CA-O 3.45Å; T622-A722 WeakPolarHBondContact CG2-O 3.48Å; T622-A722 PolarHBondContact N-O 3.06Å
623	V	98.2	Very high	97.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-16.8	-177.9	-62	0	0	0	0	114.7	L169 N172 I173 V176 V432 P620 A621	L169-V623 HydrophobicContact CD1-CB 4.13Å; L169-V623 HydrophobicContact CD1-CG2 4.32Å; L169-V623 VanDerWaalsContact CD1-O 3.27Å; L169-V623 WeakPolarHBondContact CD1-O 3.48Å; N172-V623 HydrophobicContact CB-CB 4.4Å; N172-V623 WeakPolarHBondContact CB-O 3.42Å; N172-V623 PolarHBondContact ND2-O 3.49Å; I173-V623 HydrophobicContact CG1-CB 4.38Å; I173-V623 HydrophobicContact CG1-CG1 4.22Å; V176-V623 HydrophobicContact CG2-CG1 4.01Å; V432-V623 HydrophobicContact CB-CG1 4.04Å; V432-V623 HydrophobicContact CG1-CG1 3.87Å; V432-V623 WeakPolarHBondContact O-CG2 3.46Å; P620-V623 HydrophobicContact CB-CG2 4.14Å; P620-V623 HydrophobicContact CG-CG2 4.22Å; P620-V623 WeakPolarHBondContact O-CG2 3.4Å; P620-V623 PolarHBondContact O-N 3.46Å; A621-V623 VanDerWaalsContact C-N 3.29Å; A621-V623 PolarHBondContact O-N 2.92Å
624	A	98.6	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.			trans	-46.6	131.7	179.9	0	0	0	0	0	112	N172 F619 P620 Y626 K627 A679	N172-A624 PolarHBondContact ND2-O 3.5Å; F619-A624 HydrophobicContact CB-CB 4.19Å; P620-A624 PolarHBondContact O-N 2.95Å; A624-Y626 VanDerWaalsContact C-N 3.3Å; A624-Y626 PolarHBondContact O-N 3.37Å; A624-K627 PolarHBondContact O-NZ 3.34Å; A624-A679 HydrophobicContact CB-CB 3.96Å
625	P	98.3	Very high	97.4	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.013	11%	0.113	C	C	.	.	S	Bend	trans	-53	-47	-173.3	-26.2	31.1	0	0	0	113	V165 A168 L169 F619 S656	V165-P625 HydrophobicContact CG1-CB 3.68Å; V165-P625 HydrophobicContact CG1-CG 3.46Å; V165-P625 VanDerWaalsContact CG1-CG 3.46Å; A168-P625 HydrophobicContact CB-CB 3.97Å; L169-P625 HydrophobicContact CB-CG 4.19Å; F619-P625 HydrophobicContact CD2-CG 4.27Å; F619-P625 HydrophobicContact CE2-CG 4.21Å; P625-S656 PolarHBondContact O-OG 2.87Å
626	Y	98.4	Very high	97.2	Very high	53 Å²	53	22.1 Å²	22.1	21%	0.208	12%	0.119	C	C	.	.			trans	-120.7	135	170.7	-57.9	-82.7	0	0	0	108.1	V165 A624 K658 I676 V678 A679	V165-Y626 HydrophobicContact CG2-CE2 4.47Å; A624-Y626 VanDerWaalsContact C-N 3.3Å; A624-Y626 PolarHBondContact O-N 3.37Å; Y626-K658 HydrophobicContact CD1-CB 4.33Å; Y626-K658 HydrophobicContact CG-CB 4.35Å; Y626-I676 HydrophobicContact CD2-CD1 4.15Å; Y626-I676 HydrophobicContact CE2-CD1 4.38Å; Y626-V678 WeakPolarHBondContact O-CA 3.49Å; Y626-A679 PolarHBondContact O-N 3.08Å
627	K	98.5	Very high	97	Very high	20 Å²	20	27.5 Å²	27.5	9%	0.087	15%	0.146	C	C	.	.	S	Bend	trans	-76.9	-37.5	179.5	-46.7	-47.5	179.9	-175.5	0	110.5	N172 A621 T622 A624 V655 S656 F680 V718 A722	N172-K627 PolarHBondContact ND2-NZ 2.95Å; A621-K627 VanDerWaalsContact O-CD 3.3Å; A621-K627 WeakPolarHBondContact O-CD 3.34Å; A621-K627 WeakPolarHBondContact O-CE 3.46Å; A621-K627 PolarHBondContact O-NZ 3.4Å; T622-K627 PolarHBondContact O-NZ 3.18Å; A624-K627 PolarHBondContact O-NZ 3.34Å; K627-V655 HydrophobicContact CB-CG1 3.76Å; K627-V655 HydrophobicContact CG-CG1 4.22Å; K627-S656 PolarHBondContact N-O 2.68Å; K627-S656 PolarHBondContact N-OG 3.43Å; K627-F680 WeakPolarHBondContact O-CD2 3.3Å; K627-F680 PolarHBondContact O-N 2.87Å; K627-V718 HydrophobicContact CB-CG1 4.32Å; K627-A722 HydrophobicContact CB-CB 3.97Å; K627-A722 HydrophobicContact CD-CB 3.91Å; K627-A722 HydrophobicContact CG-CB 3.71Å
628	C	98.7	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.3	-176.7	-152.6	0	0	0	0	113.3	M650 S656 H657 K658 F680 V718	C628-M650 HydrophobicContact CB-CE 4.4Å; C628-S656 PolarHBondContact N-O 3.09Å; C628-H657 HydrophobicContact CB-CB 3.9Å; C628-H657 CarbonylContact O-C 3.56Å; C628-H657 WeakPolarHBondContact O-CA 3.25Å; C628-H657 WeakPolarHBondContact O-CB 3.22Å; C628-K658 PolarHBondContact O-N 2.83Å; C628-F680 CarbonylContact C-O 3.57Å; C628-F680 VanDerWaalsContact CA-O 3.29Å; C628-F680 WeakPolarHBondContact CA-O 3.28Å; C628-V718 HydrophobicContact CB-CG1 3.95Å
629	S	98.6	Very high	96.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.9	156.6	54.1	0	0	0	0	109.7	K658 F680 G681 I682	S629-K658 CarbonylContact C-O 3.53Å; S629-K658 VanDerWaalsContact CA-O 3.23Å; S629-K658 WeakPolarHBondContact CA-O 3.42Å; S629-F680 PolarHBondContact N-O 2.79Å; S629-F680 PolarHBondContact OG-O 3.23Å; S629-G681 VanDerWaalsContact OG-CA 3.26Å; S629-G681 WeakPolarHBondContact OG-CA 3.3Å; S629-I682 PolarHBondContact O-N 3.39Å
630	V	98.6	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117	174.5	-177.8	0	0	0	0	107.7	V643 L646 K658 V659 D660 I684	V630-V643 HydrophobicContact CG1-CG1 4.18Å; V630-L646 HydrophobicContact CG1-CB 4.29Å; V630-K658 PolarHBondContact N-O 3.41Å; V630-V659 HydrophobicContact CB-CG2 4.32Å; V630-V659 WeakPolarHBondContact O-CA 3.38Å; V630-D660 PolarHBondContact O-N 2.92Å; V630-D660 VanDerWaalsContact O-N 3.1Å; V630-I684 HydrophobicContact CG1-CD1 4.06Å
631	L	98.1	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	113.7	-165.3	-53.6	175.8	0	0	0	110	D660 I666 R669 Y670 T673 I682 T683 I684	L631-D660 HydrophobicContact CD2-CB 3.55Å; L631-I666 HydrophobicContact CB-CD1 3.8Å; L631-I666 HydrophobicContact CD1-CD1 4.04Å; L631-R669 HydrophobicContact CD2-CB 4.22Å; L631-Y670 HydrophobicContact CD1-CD1 3.59Å; L631-Y670 HydrophobicContact CD1-CE1 3.42Å; L631-Y670 VanDerWaalsContact CD1-CE1 3.42Å; L631-Y670 HydrophobicContact CD1-CG 4.42Å; L631-T673 HydrophobicContact CD2-CG2 4.46Å; L631-I682 PolarHBondContact N-O 3.5Å; L631-T683 VanDerWaalsContact O-CA 3.26Å; L631-T683 WeakPolarHBondContact O-CA 3.35Å; L631-I684 PolarHBondContact O-N 3.35Å
632	P	97.4	Very high	96.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	146.7	168.4	29.1	-33.4	0	0	0	110.2	S634 F639 V643 D661 R669 I684	P632-S634 WeakPolarHBondContact CB-O 3.45Å; P632-S634 PolarHBondContact O-N 2.89Å; P632-F639 HydrophobicContact CB-CB 3.69Å; P632-F639 HydrophobicContact CB-CD2 3.89Å; P632-F639 HydrophobicContact CB-CG 4.15Å; P632-V643 HydrophobicContact CB-CG2 3.91Å; P632-V643 HydrophobicContact CG-CG2 4.1Å; P632-D661 HydrophobicContact CG-CB 4.14Å; P632-R669 PolarHBondContact O-NH1 2.97Å; P632-R669 PolarHBondContact O-NH2 3.23Å; P632-I684 CarbonylContact C-O 3.56Å
633	L	95.1	Very high	96.8	Very high	45 Å²	45	34.4 Å²	34.4	24%	0.236	17%	0.174	C	C	.	.	S	Bend	trans	-61.9	-32.4	-176.6	179.1	64.8	0	0	0	112.2	F639 I666 R669 T683 I684 D685 F686 Q741	L633-F639 HydrophobicContact CB-CE2 4.03Å; L633-F639 HydrophobicContact CB-CZ 4.29Å; L633-I666 HydrophobicContact CD1-CB 4.15Å; L633-I666 HydrophobicContact CD1-CG1 4.43Å; L633-I666 HydrophobicContact CD1-CG2 4.06Å; L633-R669 VanDerWaalsContact C-NH2 3.28Å; L633-R669 PolarHBondContact O-NH2 3.42Å; L633-T683 HydrophobicContact CB-CG2 4.37Å; L633-T683 HydrophobicContact CD1-CG2 4.41Å; L633-I684 WeakPolarHBondContact CB-O 3.45Å; L633-I684 PolarHBondContact N-O 3.33Å; L633-D685 HydrophobicContact CB-CB 3.98Å; L633-D685 HydrophobicContact CD2-CB 3.79Å; L633-D685 HydrophobicContact CG-CB 4.41Å; L633-F686 HydrophobicContact CD2-CD2 4.22Å; L633-F686 HydrophobicContact CD2-CE2 4.48Å; L633-Q741 VanDerWaalsContact CD2-OE1 3.29Å
634	S	92.5	Very high	96.8	Very high	47 Å²	47	40.6 Å²	40.6	33%	0.329	20%	0.201	S	C	.	.	S	Bend	trans	-147.5	-170.7	175.6	74.1	0	0	0	0	110.4	P632 N636 F639	P632-S634 WeakPolarHBondContact CB-O 3.45Å; P632-S634 PolarHBondContact O-N 2.89Å; S634-N636 PolarHBondContact O-N 2.98Å; S634-N636 PolarHBondContact OG-N 2.6Å; S634-F639 WeakPolarHBondContact OG-CE2 3.42Å
635	Q	92.4	Very high	96.7	Very high	118 Å²	118	45.5 Å²	45.5	55%	0.551	22%	0.224	S	C	*	.	S	Bend	trans	-85.3	19.4	176	-60.6	-167.2	-51.7	0	0	113.5	Q637 S663	Q635-Q637 PolarHBondContact O-N 3.32Å; Q635-S663 VanDerWaalsContact NE2-CA 3.29Å
636	N	92.6	Very high	96.7	Very high	32 Å²	32	45.5 Å²	45.5	17%	0.171	22%	0.224	C	C	.	.			trans	-63.1	129	176.1	-171.6	-2.5	0	0	0	110.1	S634 E638 F639 F686	S634-N636 PolarHBondContact O-N 2.98Å; S634-N636 PolarHBondContact OG-N 2.6Å; N636-E638 PolarHBondContact ND2-OE2 3.34Å; N636-E638 PolarHBondContact O-N 2.7Å; N636-E638 PolarHBondContact OD1-N 3.29Å; N636-F639 HydrophobicContact CB-CD2 3.83Å; N636-F639 HydrophobicContact CB-CE2 3.73Å; N636-F639 HydrophobicContact CB-CZ 4.29Å; N636-F639 PolarHBondContact O-N 3.38Å; N636-F639 VanDerWaalsContact O-N 3.14Å; N636-F686 VanDerWaalsContact ND2-CE1 3.32Å; N636-F686 WeakPolarHBondContact ND2-CE1 3.4Å
637	Q	94	Very high	96.7	Very high	144 Å²	144	44.3 Å²	44.3	67%	0.673	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-63.1	-25.6	-178.4	-66.9	-61.7	-37.8	0	0	112.6	Q635 F639 M640 P641	Q635-Q637 PolarHBondContact O-N 3.32Å; Q637-F639 PolarHBondContact O-N 3.05Å; Q637-F639 VanDerWaalsContact O-N 3.17Å; Q637-M640 WeakPolarHBondContact O-CB 3.25Å; Q637-M640 PolarHBondContact O-N 3.06Å; Q637-M640 VanDerWaalsContact O-N 3.09Å; Q637-P641 WeakPolarHBondContact O-CD 3.27Å
638	E	96.1	Very high	96.7	Very high	85 Å²	85	48.6 Å²	48.6	40%	0.397	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-61.1	-22.3	176.1	-64.8	176.4	145.5	0	0	113.3	N636 V689	N636-E638 PolarHBondContact ND2-OE2 3.34Å; N636-E638 PolarHBondContact O-N 2.7Å; N636-E638 PolarHBondContact OD1-N 3.29Å; E638-V689 HydrophobicContact CB-CG1 4.2Å; E638-V689 HydrophobicContact CB-CG2 4.3Å
639	F	96.4	Very high	96.7	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-81.2	-25	176.9	-56.9	-35.9	0	0	0	113.1	P632 L633 S634 N636 Q637 F642 V643 I684 D685 F686 V689	P632-F639 HydrophobicContact CB-CB 3.69Å; P632-F639 HydrophobicContact CB-CD2 3.89Å; P632-F639 HydrophobicContact CB-CG 4.15Å; L633-F639 HydrophobicContact CB-CE2 4.03Å; L633-F639 HydrophobicContact CB-CZ 4.29Å; S634-F639 WeakPolarHBondContact OG-CE2 3.42Å; N636-F639 HydrophobicContact CB-CD2 3.83Å; N636-F639 HydrophobicContact CB-CE2 3.73Å; N636-F639 HydrophobicContact CB-CZ 4.29Å; N636-F639 PolarHBondContact O-N 3.38Å; N636-F639 VanDerWaalsContact O-N 3.14Å; Q637-F639 PolarHBondContact O-N 3.05Å; Q637-F639 VanDerWaalsContact O-N 3.17Å; F639-F642 PolarHBondContact O-N 2.96Å; F639-V643 WeakPolarHBondContact O-CG2 3.32Å; F639-V643 PolarHBondContact O-N 3.4Å; F639-I684 HydrophobicContact CB-CG2 4.07Å; F639-I684 HydrophobicContact CD1-CG2 4.02Å; F639-I684 HydrophobicContact CG-CG2 4.27Å; F639-D685 WeakPolarHBondContact CE1-O 3.27Å; F639-F686 HydrophobicContact CE1-CD1 4.03Å; F639-F686 HydrophobicContact CE1-CE1 4.25Å; F639-F686 HydrophobicContact CE1-CG 4.32Å; F639-F686 HydrophobicContact CE2-CZ 4.48Å; F639-F686 AromaticContact CZ-CD1 3.88Å; F639-F686 HydrophobicContact CZ-CD1 3.88Å; F639-F686 HydrophobicContact CZ-CD2 4.07Å; F639-F686 AromaticContact CZ-CE1 3.79Å; F639-F686 HydrophobicContact CZ-CE1 3.79Å; F639-F686 AromaticContact CZ-CE2 3.97Å; F639-F686 HydrophobicContact CZ-CE2 3.97Å; F639-F686 HydrophobicContact CZ-CG 4.02Å; F639-F686 AromaticContact CZ-CZ 3.83Å; F639-F686 HydrophobicContact CZ-CZ 3.83Å; F639-V689 HydrophobicContact CD1-CG2 3.52Å; F639-V689 HydrophobicContact CE1-CG2 3.7Å
640	M	96.5	Very high	96.7	Very high	62 Å²	62	49.9 Å²	49.9	31%	0.305	25%	0.254	S	S	.	.	H	α-helix	trans	-63.3	-36.4	-169.5	-62	-57.9	-71.8	0	0	114.6	Q637 F642 V643 K644	Q637-M640 WeakPolarHBondContact O-CB 3.25Å; Q637-M640 PolarHBondContact O-N 3.06Å; Q637-M640 VanDerWaalsContact O-N 3.09Å; M640-F642 VanDerWaalsContact C-N 3.35Å; M640-F642 PolarHBondContact O-N 2.69Å; M640-V643 PolarHBondContact O-N 3.14Å; M640-K644 WeakPolarHBondContact O-CB 3.48Å; M640-K644 PolarHBondContact O-N 3.4Å
641	P	97.6	Very high	96.6	Very high	81 Å²	81	54.2 Å²	54.2	53%	0.526	28%	0.281	S	S	.	.	H	α-helix	trans	-57	-46.9	172.8	-26.4	36	0	0	0	112.5	Q637 K644 E645	Q637-P641 WeakPolarHBondContact O-CD 3.27Å; P641-K644 PolarHBondContact O-N 3.47Å; P641-E645 WeakPolarHBondContact O-CB 3.44Å; P641-E645 PolarHBondContact O-N 3.02Å
642	F	97.8	Very high	96.6	Very high	26 Å²	26	63.1 Å²	63.1	11%	0.114	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-37	178.6	-63.7	-79	0	0	0	112.4	F639 M640 K644 L646 I684 T688 V689 H694	F639-F642 PolarHBondContact O-N 2.96Å; M640-F642 VanDerWaalsContact C-N 3.35Å; M640-F642 PolarHBondContact O-N 2.69Å; F642-K644 VanDerWaalsContact C-N 3.33Å; F642-K644 PolarHBondContact O-N 2.94Å; F642-L646 WeakPolarHBondContact O-CB 3.47Å; F642-L646 PolarHBondContact O-N 3.24Å; F642-I684 HydrophobicContact CB-CD1 3.97Å; F642-I684 HydrophobicContact CB-CG2 4Å; F642-T688 HydrophobicContact CD1-CG2 4.06Å; F642-T688 HydrophobicContact CD2-CG2 4.44Å; F642-T688 HydrophobicContact CE1-CG2 4.33Å; F642-T688 HydrophobicContact CG-CG2 4.11Å; F642-V689 HydrophobicContact CD2-CG2 4.26Å; F642-V689 HydrophobicContact CE2-CB 4.46Å; F642-V689 HydrophobicContact CE2-CG2 4Å; F642-H694 HydrophobicContact CE1-CB 4.01Å; F642-H694 AromaticContact CE1-CG 3.72Å; F642-H694 AromaticContact CE1-ND1 3.92Å; F642-H694 AromaticContact CZ-CE1 3.9Å; F642-H694 AromaticContact CZ-ND1 3.72Å
643	V	98.1	Very high	96.6	Very high	6 Å²	6	65.4 Å²	65.4	4%	0.036	33%	0.332	C	S	.	.	H	α-helix	trans	-58.8	-48.1	173.9	172.8	0	0	0	0	110.2	V630 P632 F639 M640 S647 V659 I684	V630-V643 HydrophobicContact CG1-CG1 4.18Å; P632-V643 HydrophobicContact CB-CG2 3.91Å; P632-V643 HydrophobicContact CG-CG2 4.1Å; F639-V643 WeakPolarHBondContact O-CG2 3.32Å; F639-V643 PolarHBondContact O-N 3.4Å; M640-V643 PolarHBondContact O-N 3.14Å; V643-S647 VanDerWaalsContact O-CB 3.3Å; V643-S647 WeakPolarHBondContact O-CB 3.42Å; V643-S647 PolarHBondContact O-N 3.12Å; V643-V659 HydrophobicContact CG1-CG1 3.56Å; V643-V659 HydrophobicContact CG1-CG2 4.35Å; V643-I684 HydrophobicContact CB-CD1 4.16Å; V643-I684 HydrophobicContact CG2-CD1 3.54Å
644	K	97.8	Very high	96.7	Very high	130 Å²	130	66.7 Å²	66.7	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-64.6	-48.1	-179.5	-177.5	179.7	172.2	-175.7	0	111.2	M640 P641 F642 L646 S647 E648	M640-K644 WeakPolarHBondContact O-CB 3.48Å; M640-K644 PolarHBondContact O-N 3.4Å; P641-K644 PolarHBondContact O-N 3.47Å; F642-K644 VanDerWaalsContact C-N 3.33Å; F642-K644 PolarHBondContact O-N 2.94Å; K644-L646 PolarHBondContact O-N 3.38Å; K644-S647 PolarHBondContact O-N 2.83Å; K644-E648 WeakPolarHBondContact CE-OE1 3.39Å; K644-E648 IonicContact NZ-OE1 3.95Å; K644-E648 WeakPolarHBondContact O-CG 3.37Å; K644-E648 PolarHBondContact O-N 3.42Å
645	E	97.7	Very high	97	Very high	103 Å²	103	64.8 Å²	64.8	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-57.3	-49	178	-176.7	-176.4	171.8	0	0	111.7	P641 S647 E648 A649	P641-E645 WeakPolarHBondContact O-CB 3.44Å; P641-E645 PolarHBondContact O-N 3.02Å; E645-S647 PolarHBondContact O-N 3Å; E645-E648 PolarHBondContact O-N 3.38Å; E645-A649 VanDerWaalsContact O-CB 3.31Å; E645-A649 WeakPolarHBondContact O-CB 3.46Å; E645-A649 PolarHBondContact O-N 3Å
646	L	98.1	Very high	97.3	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-40.9	177.9	-83.5	166	0	0	0	112.3	V630 F642 K644 A649 M650 I682 I684 V711 L714 P715	V630-L646 HydrophobicContact CG1-CB 4.29Å; F642-L646 WeakPolarHBondContact O-CB 3.47Å; F642-L646 PolarHBondContact O-N 3.24Å; K644-L646 PolarHBondContact O-N 3.38Å; L646-A649 PolarHBondContact O-N 3.26Å; L646-M650 WeakPolarHBondContact O-CB 3.31Å; L646-M650 WeakPolarHBondContact O-CG 3.44Å; L646-M650 PolarHBondContact O-N 3.06Å; L646-I682 HydrophobicContact CD1-CG2 3.97Å; L646-I684 HydrophobicContact CD1-CD1 3.71Å; L646-I684 HydrophobicContact CD1-CG1 3.94Å; L646-V711 HydrophobicContact CD1-CG1 3.97Å; L646-V711 HydrophobicContact CD2-CG1 3.74Å; L646-V711 WeakPolarHBondContact CD2-O 3.45Å; L646-V711 HydrophobicContact CG-CG1 3.66Å; L646-L714 HydrophobicContact CD2-CB 4.43Å; L646-P715 HydrophobicContact CD2-CG 4.26Å
647	S	98.4	Very high	97.6	Very high	27 Å²	27	61.2 Å²	61.2	19%	0.189	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-44.6	177.5	-179.4	0	0	0	0	111.8	V643 K644 E645 M650 T651 H657	V643-S647 VanDerWaalsContact O-CB 3.3Å; V643-S647 WeakPolarHBondContact O-CB 3.42Å; V643-S647 PolarHBondContact O-N 3.12Å; K644-S647 PolarHBondContact O-N 2.83Å; E645-S647 PolarHBondContact O-N 3Å; S647-M650 PolarHBondContact O-N 3.37Å; S647-T651 PolarHBondContact O-N 2.92Å; S647-T651 PolarHBondContact O-OG1 3.23Å; S647-H657 WeakPolarHBondContact CA-NE2 3.27Å; S647-H657 PolarHBondContact O-CE1 2.98Å; S647-H657 PolarHBondContact O-NE2 2.78Å; S647-H657 PolarHBondContact OG-NE2 2.78Å
648	E	98.4	Very high	97.7	Very high	111 Å²	111	58.6 Å²	58.6	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-42.5	175.4	-71.2	175.6	-176.4	0	0	111.4	K644 E645 T651 K652	K644-E648 WeakPolarHBondContact CE-OE1 3.39Å; K644-E648 IonicContact NZ-OE1 3.95Å; K644-E648 WeakPolarHBondContact O-CG 3.37Å; K644-E648 PolarHBondContact O-N 3.42Å; E645-E648 PolarHBondContact O-N 3.38Å; E648-T651 WeakPolarHBondContact O-CB 3.38Å; E648-T651 PolarHBondContact O-N 2.94Å; E648-K652 PolarHBondContact O-N 3.33Å
649	A	98.3	Very high	97.8	Very high	28 Å²	28	56.8 Å²	56.8	23%	0.231	31%	0.31	C	S	.	.	H	α-helix	trans	-65.8	-39.6	178.2	0	0	0	0	0	112.8	E645 L646 K652 N653 P715	E645-A649 VanDerWaalsContact O-CB 3.31Å; E645-A649 WeakPolarHBondContact O-CB 3.46Å; E645-A649 PolarHBondContact O-N 3Å; L646-A649 PolarHBondContact O-N 3.26Å; A649-K652 PolarHBondContact O-N 3.03Å; A649-N653 PolarHBondContact O-N 3.45Å; A649-N653 VanDerWaalsContact O-N 3.12Å; A649-N653 PolarHBondContact O-ND2 3.06Å; A649-P715 HydrophobicContact CB-CB 4.4Å; A649-P715 HydrophobicContact CB-CG 3.72Å
650	M	98.1	Very high	97.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-45	172.6	-73.4	-67.1	179.1	0	0	111.1	C628 L646 S647 K652 N653 G654 V655 H657 I682 P715 V718	C628-M650 HydrophobicContact CB-CE 4.4Å; L646-M650 WeakPolarHBondContact O-CB 3.31Å; L646-M650 WeakPolarHBondContact O-CG 3.44Å; L646-M650 PolarHBondContact O-N 3.06Å; S647-M650 PolarHBondContact O-N 3.37Å; M650-K652 PolarHBondContact O-N 3.27Å; M650-N653 CarbonylContact O-C 3.29Å; M650-N653 PolarHBondContact O-N 3.18Å; M650-N653 VanDerWaalsContact O-N 3.16Å; M650-G654 PolarHBondContact O-N 3.25Å; M650-V655 HydrophobicContact CB-CB 4.34Å; M650-V655 PolarHBondContact O-N 2.85Å; M650-V655 HydrophobicContact SD-CB 3.92Å; M650-V655 HydrophobicContact SD-CG1 3.78Å; M650-V655 HydrophobicContact SD-CG2 4.3Å; M650-H657 HydrophobicContact CB-CB 4.42Å; M650-H657 WeakPolarHBondContact CB-ND1 3.49Å; M650-I682 HydrophobicContact CE-CD1 3.25Å; M650-P715 HydrophobicContact CE-CB 4.25Å; M650-P715 HydrophobicContact CE-CG 4.25Å; M650-P715 HydrophobicContact SD-CB 3.96Å; M650-P715 HydrophobicContact SD-CG 4.42Å; M650-V718 HydrophobicContact CE-CB 4.07Å; M650-V718 HydrophobicContact CE-CG1 4.46Å; M650-V718 HydrophobicContact CE-CG2 3.93Å; M650-V718 HydrophobicContact SD-CB 4.4Å; M650-V718 HydrophobicContact SD-CG1 4.49Å
651	T	98.2	Very high	97.5	Very high	91 Å²	91	58.2 Å²	58.2	56%	0.558	32%	0.319	S	S	*	.	H	α-helix	trans	-58.5	-46.8	176	-53.7	0	0	0	0	111.3	S647 E648 N653 G654 H657	S647-T651 PolarHBondContact O-N 2.92Å; S647-T651 PolarHBondContact O-OG1 3.23Å; E648-T651 WeakPolarHBondContact O-CB 3.38Å; E648-T651 PolarHBondContact O-N 2.94Å; T651-N653 PolarHBondContact O-N 2.92Å; T651-G654 PolarHBondContact O-N 3.39Å; T651-H657 PolarHBondContact OG1-CE1 3.38Å; T651-H657 VanDerWaalsContact OG1-CE1 3.28Å
652	K	97.9	Very high	97.1	Very high	187 Å²	187	56 Å²	56	81%	0.813	31%	0.305	S	S	*	.	H	α-helix	trans	-61.6	-28.8	178.7	-171.6	178.3	179.5	-177.7	0	113	E648 A649 M650 G654	E648-K652 PolarHBondContact O-N 3.33Å; A649-K652 PolarHBondContact O-N 3.03Å; M650-K652 PolarHBondContact O-N 3.27Å; K652-G654 VanDerWaalsContact C-N 3.33Å
653	N	97.6	Very high	96.5	Very high	49 Å²	49	59.6 Å²	59.6	26%	0.262	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3.7	175.8	-78.5	-83.4	0	0	0	113.7	A649 M650 T651 V655	A649-N653 PolarHBondContact O-N 3.45Å; A649-N653 VanDerWaalsContact O-N 3.12Å; A649-N653 PolarHBondContact O-ND2 3.06Å; M650-N653 CarbonylContact O-C 3.29Å; M650-N653 PolarHBondContact O-N 3.18Å; M650-N653 VanDerWaalsContact O-N 3.16Å; T651-N653 PolarHBondContact O-N 2.92Å; N653-V655 HydrophobicContact CB-CG2 4.01Å; N653-V655 PolarHBondContact O-N 3.14Å
654	G	96.8	Very high	96	Very high	71 Å²	71	60 Å²	60	73%	0.732	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	20	-177.9	0	0	0	0	0	113.9	M650 T651 K652	M650-G654 PolarHBondContact O-N 3.25Å; T651-G654 PolarHBondContact O-N 3.39Å; K652-G654 VanDerWaalsContact C-N 3.33Å
655	V	98.2	Very high	95.8	Very high	8 Å²	8	57.7 Å²	57.7	5%	0.048	34%	0.34	C	S	.	.			trans	-89.6	114.5	-178	-178.9	0	0	0	0	109.6	K627 M650 N653 H657 V718 R719	K627-V655 HydrophobicContact CB-CG1 3.76Å; K627-V655 HydrophobicContact CG-CG1 4.22Å; M650-V655 HydrophobicContact CB-CB 4.34Å; M650-V655 PolarHBondContact O-N 2.85Å; M650-V655 HydrophobicContact SD-CB 3.92Å; M650-V655 HydrophobicContact SD-CG1 3.78Å; M650-V655 HydrophobicContact SD-CG2 4.3Å; N653-V655 HydrophobicContact CB-CG2 4.01Å; N653-V655 PolarHBondContact O-N 3.14Å; V655-H657 PolarHBondContact O-N 2.82Å; V655-H657 PolarHBondContact O-ND1 3.37Å; V655-V718 HydrophobicContact CG1-CG1 3.76Å; V655-R719 HydrophobicContact CG2-CB 3.69Å; V655-R719 HydrophobicContact CG2-CG 4.23Å
656	S	98.3	Very high	95.7	Very high	42 Å²	42	54.8 Å²	54.8	29%	0.294	33%	0.327	S	S	.	.			trans	-64.9	124.7	173	69.1	0	0	0	0	109.8	P625 K627 C628	P625-S656 PolarHBondContact O-OG 2.87Å; K627-S656 PolarHBondContact N-O 2.68Å; K627-S656 PolarHBondContact N-OG 3.43Å; C628-S656 PolarHBondContact N-O 3.09Å
657	H	98.6	Very high	95.4	Very high	33 Å²	33	56.2 Å²	56.2	15%	0.153	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	162.9	-176.5	66.5	-74.6	0	0	0	111.8	C628 S647 M650 T651 V655	C628-H657 HydrophobicContact CB-CB 3.9Å; C628-H657 CarbonylContact O-C 3.56Å; C628-H657 WeakPolarHBondContact O-CA 3.25Å; C628-H657 WeakPolarHBondContact O-CB 3.22Å; S647-H657 WeakPolarHBondContact CA-NE2 3.27Å; S647-H657 PolarHBondContact O-CE1 2.98Å; S647-H657 PolarHBondContact O-NE2 2.78Å; S647-H657 PolarHBondContact OG-NE2 2.78Å; M650-H657 HydrophobicContact CB-CB 4.42Å; M650-H657 WeakPolarHBondContact CB-ND1 3.49Å; T651-H657 PolarHBondContact OG1-CE1 3.38Å; T651-H657 VanDerWaalsContact OG1-CE1 3.28Å; V655-H657 PolarHBondContact O-N 2.82Å; V655-H657 PolarHBondContact O-ND1 3.37Å
658	K	97.6	Very high	95.2	Very high	89 Å²	89	63.2 Å²	63.2	39%	0.387	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.9	176.4	-173.7	177.7	177.6	66.2	0	110.6	Y626 C628 S629 V630 I676	Y626-K658 HydrophobicContact CD1-CB 4.33Å; Y626-K658 HydrophobicContact CG-CB 4.35Å; C628-K658 PolarHBondContact O-N 2.83Å; S629-K658 CarbonylContact C-O 3.53Å; S629-K658 VanDerWaalsContact CA-O 3.23Å; S629-K658 WeakPolarHBondContact CA-O 3.42Å; V630-K658 PolarHBondContact N-O 3.41Å; K658-I676 HydrophobicContact CD-CD1 4.36Å
659	V	98.1	Very high	95.1	Very high	47 Å²	47	58 Å²	58	29%	0.285	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.7	169.1	-176.9	0	0	0	0	108.8	V630 V643 D661	V630-V659 HydrophobicContact CB-CG2 4.32Å; V630-V659 WeakPolarHBondContact O-CA 3.38Å; V643-V659 HydrophobicContact CG1-CG1 3.56Å; V643-V659 HydrophobicContact CG1-CG2 4.35Å; V659-D661 HydrophobicContact CG1-CB 4.41Å
660	D	94.9	Very high	95.1	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.07	33%	0.332	C	S	.	.			trans	-130	93.6	169.3	-174.9	-6.8	0	0	0	110.1	V630 L631 S662 R669 R672	V630-D660 PolarHBondContact O-N 2.92Å; V630-D660 VanDerWaalsContact O-N 3.1Å; L631-D660 HydrophobicContact CD2-CB 3.55Å; D660-S662 WeakPolarHBondContact OD1-CB 3.37Å; D660-S662 PolarHBondContact OD1-N 2.73Å; D660-S662 PolarHBondContact OD1-OG 3.45Å; D660-R669 VanDerWaalsContact O-CD 3.23Å; D660-R669 WeakPolarHBondContact O-CD 3.19Å; D660-R669 PolarHBondContact O-NH1 3.27Å; D660-R669 VanDerWaalsContact O-NH1 3.15Å; D660-R672 IonicContact OD1-CZ 3.64Å; D660-R672 IonicContact OD1-NH1 3.48Å; D660-R672 PolarHBondContact OD1-NH1 2.88Å; D660-R672 IonicContact OD1-NH2 3.48Å; D660-R672 IonicContact OD2-CZ 3.88Å; D660-R672 IonicContact OD2-NE 3.99Å; D660-R672 IonicContact OD2-NH1 3.34Å; D660-R672 PolarHBondContact OD2-NH1 3.36Å; D660-R672 VanDerWaalsContact OD2-NH1 3.14Å; D660-R672 IonicContact OD2-NH2 2.81Å; D660-R672 PolarHBondContact OD2-NH2 2.8Å
661	D	90.3	Very high	95	Very high	78 Å²	78	58.2 Å²	58.2	42%	0.417	34%	0.339	S	S	.	.			trans	-101.6	13.2	179.4	60.8	-6.4	0	0	0	112.8	P632 V659	P632-D661 HydrophobicContact CG-CB 4.14Å; V659-D661 HydrophobicContact CG1-CB 4.41Å
662	S	90.1	Very high	94.8	Very high	35 Å²	35	57.5 Å²	57.5	25%	0.245	33%	0.325	C	S	.	.	S	Bend	trans	-66.4	161.2	-179.4	64.1	0	0	0	0	112.8	D660 G664 R672	D660-S662 WeakPolarHBondContact OD1-CB 3.37Å; D660-S662 PolarHBondContact OD1-N 2.73Å; D660-S662 PolarHBondContact OD1-OG 3.45Å; S662-G664 PolarHBondContact O-N 3.3Å; S662-R672 VanDerWaalsContact OG-CZ 3.24Å; S662-R672 PolarHBondContact OG-NH1 2.94Å; S662-R672 PolarHBondContact OG-NH2 2.86Å
663	S	85	Confident	94.8	Very high	101 Å²	101	48.8 Å²	48.8	71%	0.706	29%	0.288	S	S	*	.	S	Bend	trans	-68	6.5	-170.3	55.6	0	0	0	0	116.6	Q635	Q635-S663 VanDerWaalsContact NE2-CA 3.29Å
664	G	87.8	Confident	94.9	Very high	16 Å²	16	46.6 Å²	46.6	17%	0.165	28%	0.276	C	S	.	.	S	Bend	trans	-79.7	156	178.9	0	0	0	0	0	113.5	S662 R669	S662-G664 PolarHBondContact O-N 3.3Å; G664-R669 PolarHBondContact O-NE 3.44Å; G664-R669 PolarHBondContact O-NH2 3Å
665	S	93.4	Very high	94.9	Very high	81 Å²	81	44 Å²	44	57%	0.566	25%	0.245	S	C	*	.			trans	-55.2	156.7	169.1	68.8	0	0	0	0	111.4	G667 R668 R669	S665-G667 PolarHBondContact O-N 3.21Å; S665-R668 PolarHBondContact O-N 3.03Å; S665-R668 PolarHBondContact OG-N 3.2Å; S665-R669 PolarHBondContact O-N 3.27Å
666	I	94.6	Very high	94.9	Very high	41 Å²	41	43.8 Å²	43.8	21%	0.21	24%	0.243	C	C	.	.	H	α-helix	trans	-57.4	-38.7	178.7	-170.1	59.5	0	0	0	111.9	L631 L633 R668 R669 Y670 T683	L631-I666 HydrophobicContact CB-CD1 3.8Å; L631-I666 HydrophobicContact CD1-CD1 4.04Å; L633-I666 HydrophobicContact CD1-CB 4.15Å; L633-I666 HydrophobicContact CD1-CG1 4.43Å; L633-I666 HydrophobicContact CD1-CG2 4.06Å; I666-R668 VanDerWaalsContact C-N 3.34Å; I666-R668 PolarHBondContact O-N 3.07Å; I666-R669 PolarHBondContact O-N 2.58Å; I666-R669 VanDerWaalsContact O-N 3.16Å; I666-Y670 HydrophobicContact CD1-CD2 4.43Å; I666-Y670 HydrophobicContact CD1-CE2 4.12Å; I666-Y670 HydrophobicContact CG1-CD2 3.89Å; I666-Y670 HydrophobicContact CG1-CE2 3.59Å; I666-Y670 WeakPolarHBondContact O-CD2 3.28Å; I666-Y670 PolarHBondContact O-N 3.32Å; I666-T683 HydrophobicContact CD1-CG2 3.94Å; I666-T683 HydrophobicContact CG1-CG2 4.22Å
667	G	93.6	Very high	94.9	Very high	32 Å²	32	41.8 Å²	41.8	33%	0.33	23%	0.23	S	C	.	.	H	α-helix	trans	-60.8	-38.6	174.5	0	0	0	0	0	113.4	S665 R669 Y670 A671	S665-G667 PolarHBondContact O-N 3.21Å; G667-R669 VanDerWaalsContact C-N 3.34Å; G667-Y670 PolarHBondContact O-N 2.87Å; G667-A671 WeakPolarHBondContact O-CB 3.2Å; G667-A671 PolarHBondContact O-N 3.41Å
668	R	94.1	Very high	94.9	Very high	174 Å²	174	40.3 Å²	40.3	66%	0.657	22%	0.223	S	C	*	.	H	α-helix	trans	-71.7	-28.8	176.6	-168.2	174.3	-175.1	171.8	2.2	112.5	S665 I666 R672	S665-R668 PolarHBondContact O-N 3.03Å; S665-R668 PolarHBondContact OG-N 3.2Å; I666-R668 VanDerWaalsContact C-N 3.34Å; I666-R668 PolarHBondContact O-N 3.07Å; R668-R672 PolarHBondContact O-N 3.08Å; R668-R672 PolarHBondContact O-NE 3.06Å
669	R	96.3	Very high	95	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-74.2	-41.1	172.3	-77.5	-178.7	-79.4	159.2	4.7	111.9	L631 P632 L633 D660 G664 S665 I666 G667 R672 T673	L631-R669 HydrophobicContact CD2-CB 4.22Å; P632-R669 PolarHBondContact O-NH1 2.97Å; P632-R669 PolarHBondContact O-NH2 3.23Å; L633-R669 VanDerWaalsContact C-NH2 3.28Å; L633-R669 PolarHBondContact O-NH2 3.42Å; D660-R669 VanDerWaalsContact O-CD 3.23Å; D660-R669 WeakPolarHBondContact O-CD 3.19Å; D660-R669 PolarHBondContact O-NH1 3.27Å; D660-R669 VanDerWaalsContact O-NH1 3.15Å; G664-R669 PolarHBondContact O-NE 3.44Å; G664-R669 PolarHBondContact O-NH2 3Å; S665-R669 PolarHBondContact O-N 3.27Å; I666-R669 PolarHBondContact O-N 2.58Å; I666-R669 VanDerWaalsContact O-N 3.16Å; G667-R669 VanDerWaalsContact C-N 3.34Å; R669-R672 PolarHBondContact O-N 3.34Å; R669-T673 WeakPolarHBondContact O-CG2 3.4Å; R669-T673 PolarHBondContact O-N 2.62Å; R669-T673 PolarHBondContact O-OG1 3.16Å
670	Y	97.1	Very high	95	Very high	16 Å²	16	34.6 Å²	34.6	6%	0.063	20%	0.195	C	C	.	.	H	α-helix	trans	-60.8	-44.9	169.7	-75.8	-46.6	0	0	0	112.3	L631 I666 G667 R672 T673 D674 T683 R699	L631-Y670 HydrophobicContact CD1-CD1 3.59Å; L631-Y670 HydrophobicContact CD1-CE1 3.42Å; L631-Y670 VanDerWaalsContact CD1-CE1 3.42Å; L631-Y670 HydrophobicContact CD1-CG 4.42Å; I666-Y670 HydrophobicContact CD1-CD2 4.43Å; I666-Y670 HydrophobicContact CD1-CE2 4.12Å; I666-Y670 HydrophobicContact CG1-CD2 3.89Å; I666-Y670 HydrophobicContact CG1-CE2 3.59Å; I666-Y670 WeakPolarHBondContact O-CD2 3.28Å; I666-Y670 PolarHBondContact O-N 3.32Å; G667-Y670 PolarHBondContact O-N 2.87Å; Y670-R672 VanDerWaalsContact C-N 3.29Å; Y670-R672 PolarHBondContact O-N 2.94Å; Y670-T673 WeakPolarHBondContact CA-OG1 3.49Å; Y670-T673 PolarHBondContact O-N 2.92Å; Y670-T673 VanDerWaalsContact O-N 3.16Å; Y670-T673 PolarHBondContact O-OG1 3.44Å; Y670-D674 WeakPolarHBondContact O-CB 3.46Å; Y670-D674 PolarHBondContact O-N 3.35Å; Y670-T683 VanDerWaalsContact CZ-OG1 3.3Å; Y670-T683 PolarHBondContact OH-OG1 3.35Å; Y670-R699 HydrophobicContact CE1-CB 4.26Å; Y670-R699 VanDerWaalsContact CE1-CD 3.43Å; Y670-R699 HydrophobicContact CE1-CG 4.43Å
671	A	95.8	Very high	95.2	Very high	17 Å²	17	34 Å²	34	14%	0.14	19%	0.192	C	C	.	.	H	α-helix	trans	-55.8	-43.6	174.9	0	0	0	0	0	112.1	R614 G667 T673 E675	R614-A671 HydrophobicContact CG-CB 4.18Å; G667-A671 WeakPolarHBondContact O-CB 3.2Å; G667-A671 PolarHBondContact O-N 3.41Å; A671-T673 PolarHBondContact O-N 2.8Å; A671-E675 WeakPolarHBondContact O-CB 3.22Å; A671-E675 VanDerWaalsContact O-CG 3.3Å; A671-E675 WeakPolarHBondContact O-CG 3.15Å; A671-E675 PolarHBondContact O-N 2.95Å
672	R	95.8	Very high	95.6	Very high	75 Å²	75	30.3 Å²	30.3	28%	0.283	17%	0.172	S	C	.	.	H	α-helix	trans	-69.3	-31.6	178.1	-81.4	-176.4	-69.5	160.9	-8.5	114.5	R143 D660 S662 R668 R669 Y670	R143-R672 VanDerWaalsContact CZ-O 3.3Å; R143-R672 PolarHBondContact NH1-O 3.34Å; R143-R672 PolarHBondContact NH2-O 2.81Å; D660-R672 IonicContact OD1-CZ 3.64Å; D660-R672 IonicContact OD1-NH1 3.48Å; D660-R672 PolarHBondContact OD1-NH1 2.88Å; D660-R672 IonicContact OD1-NH2 3.48Å; D660-R672 IonicContact OD2-CZ 3.88Å; D660-R672 IonicContact OD2-NE 3.99Å; D660-R672 IonicContact OD2-NH1 3.34Å; D660-R672 PolarHBondContact OD2-NH1 3.36Å; D660-R672 VanDerWaalsContact OD2-NH1 3.14Å; D660-R672 IonicContact OD2-NH2 2.81Å; D660-R672 PolarHBondContact OD2-NH2 2.8Å; S662-R672 VanDerWaalsContact OG-CZ 3.24Å; S662-R672 PolarHBondContact OG-NH1 2.94Å; S662-R672 PolarHBondContact OG-NH2 2.86Å; R668-R672 PolarHBondContact O-N 3.08Å; R668-R672 PolarHBondContact O-NE 3.06Å; R669-R672 PolarHBondContact O-N 3.34Å; Y670-R672 VanDerWaalsContact C-N 3.29Å; Y670-R672 PolarHBondContact O-N 2.94Å
673	T	97.7	Very high	96	Very high	4 Å²	4	29 Å²	29	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-81.4	-40.6	179.3	46.6	0	0	0	0	110.8	L631 R669 Y670 A671 E675 I676 G677 V678	L631-T673 HydrophobicContact CD2-CG2 4.46Å; R669-T673 WeakPolarHBondContact O-CG2 3.4Å; R669-T673 PolarHBondContact O-N 2.62Å; R669-T673 PolarHBondContact O-OG1 3.16Å; Y670-T673 WeakPolarHBondContact CA-OG1 3.49Å; Y670-T673 PolarHBondContact O-N 2.92Å; Y670-T673 VanDerWaalsContact O-N 3.16Å; Y670-T673 PolarHBondContact O-OG1 3.44Å; A671-T673 PolarHBondContact O-N 2.8Å; T673-E675 VanDerWaalsContact C-N 3.34Å; T673-E675 PolarHBondContact O-N 3.25Å; T673-I676 VanDerWaalsContact O-CG1 3.27Å; T673-I676 WeakPolarHBondContact O-CG1 3.23Å; T673-I676 PolarHBondContact O-N 3.09Å; T673-G677 PolarHBondContact O-N 2.72Å; T673-V678 HydrophobicContact CG2-CG2 4.39Å; T673-V678 WeakPolarHBondContact O-CG2 3.33Å; T673-V678 PolarHBondContact O-N 3.11Å; T673-V678 VanDerWaalsContact O-N 3.11Å
674	D	98.2	Very high	96.6	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-58.2	-43.4	171.7	-70.4	-1.5	0	0	0	111.3	R608 R614 Y616 Y670 I676 G677 R699	R608-D674 IonicContact CZ-OD2 2.88Å; R608-D674 IonicContact NE-OD2 3.63Å; R608-D674 IonicContact NH2-OD2 3.89Å; R608-D674 PolarHBondContact NH2-OD2 3.47Å; R614-D674 IonicContact NH2-OD2 3.78Å; Y616-D674 WeakPolarHBondContact CA-O 3.39Å; Y616-D674 WeakPolarHBondContact CB-O 3.48Å; Y670-D674 WeakPolarHBondContact O-CB 3.46Å; Y670-D674 PolarHBondContact O-N 3.35Å; D674-I676 PolarHBondContact O-N 3.25Å; D674-I676 VanDerWaalsContact O-N 3.15Å; D674-G677 WeakPolarHBondContact O-CA 3.4Å; D674-G677 PolarHBondContact O-N 3Å; D674-R699 IonicContact OD1-CZ 2.74Å; D674-R699 IonicContact OD1-NH1 3.01Å; D674-R699 PolarHBondContact OD1-NH1 3.45Å; D674-R699 IonicContact OD1-NH2 2.66Å; D674-R699 PolarHBondContact OD1-NH2 3.02Å; D674-R699 IonicContact OD2-CZ 2.83Å; D674-R699 IonicContact OD2-NH1 3.61Å; D674-R699 IonicContact OD2-NH2 3.86Å; D674-R699 PolarHBondContact OD2-NH2 2.84Å
675	E	97.5	Very high	97	Very high	17 Å²	17	23.6 Å²	23.6	8%	0.079	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.1	178.6	-91.5	-175.1	179	0	0	114.5	T139 R142 R143 T615 F617 A671 T673	T139-E675 HydrophobicContact CG2-CG 4.48Å; R142-E675 IonicContact CZ-OE1 2.95Å; R142-E675 IonicContact CZ-OE2 3.84Å; R142-E675 IonicContact NH1-OE1 3.19Å; R142-E675 PolarHBondContact NH1-OE1 3.45Å; R142-E675 IonicContact NH1-OE2 3.39Å; R142-E675 PolarHBondContact NH1-OE2 3.33Å; R142-E675 IonicContact NH2-OE1 2.84Å; R142-E675 PolarHBondContact NH2-OE1 3.24Å; R142-E675 IonicContact NH2-OE2 2.86Å; R142-E675 PolarHBondContact NH2-OE2 3.34Å; R143-E675 WeakPolarHBondContact CD-OE2 3.42Å; R143-E675 HydrophobicContact CG-CB 4.46Å; R143-E675 IonicContact CZ-OE2 2.8Å; R143-E675 IonicContact NE-OE2 2.92Å; R143-E675 VanDerWaalsContact NH1-CB 3.29Å; R143-E675 IonicContact NH1-OE2 3.72Å; R143-E675 PolarHBondContact NH1-OE2 3.13Å; T615-E675 WeakPolarHBondContact O-CA 3.2Å; T615-E675 WeakPolarHBondContact O-CG 3.44Å; F617-E675 WeakPolarHBondContact CD2-O 3.24Å; A671-E675 WeakPolarHBondContact O-CB 3.22Å; A671-E675 VanDerWaalsContact O-CG 3.3Å; A671-E675 WeakPolarHBondContact O-CG 3.15Å; A671-E675 PolarHBondContact O-N 2.95Å; T673-E675 VanDerWaalsContact C-N 3.34Å; T673-E675 PolarHBondContact O-N 3.25Å
676	I	98.4	Very high	97.1	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.015	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	9.2	176.1	60.7	170.2	0	0	0	112.3	R143 F145 V165 Y626 K658 T673 D674 V678	R143-I676 HydrophobicContact CB-CG2 3.73Å; R143-I676 HydrophobicContact CG-CG2 4.05Å; R143-I676 VanDerWaalsContact CZ-CG2 3.47Å; R143-I676 VanDerWaalsContact NH2-CG2 3.27Å; F145-I676 HydrophobicContact CE2-CB 4.44Å; F145-I676 HydrophobicContact CE2-CG2 4.13Å; F145-I676 HydrophobicContact CZ-CB 4.34Å; V165-I676 HydrophobicContact CG1-CB 3.98Å; V165-I676 HydrophobicContact CG1-CG2 4.37Å; V165-I676 HydrophobicContact CG2-CB 4.29Å; V165-I676 HydrophobicContact CG2-CD1 4.49Å; V165-I676 HydrophobicContact CG2-CG2 4.05Å; Y626-I676 HydrophobicContact CD2-CD1 4.15Å; Y626-I676 HydrophobicContact CE2-CD1 4.38Å; K658-I676 HydrophobicContact CD-CD1 4.36Å; T673-I676 VanDerWaalsContact O-CG1 3.27Å; T673-I676 WeakPolarHBondContact O-CG1 3.23Å; T673-I676 PolarHBondContact O-N 3.09Å; D674-I676 PolarHBondContact O-N 3.25Å; D674-I676 VanDerWaalsContact O-N 3.15Å; I676-V678 HydrophobicContact CD1-CG2 3.82Å; I676-V678 HydrophobicContact CG1-CG2 3.73Å; I676-V678 PolarHBondContact O-N 3.11Å
677	G	98.3	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	32.6	176.6	0	0	0	0	0	114.1	F617 T673 D674 A679 R701	F617-G677 WeakPolarHBondContact O-CA 3.44Å; T673-G677 PolarHBondContact O-N 2.72Å; D674-G677 WeakPolarHBondContact O-CA 3.4Å; D674-G677 PolarHBondContact O-N 3Å; G677-A679 PolarHBondContact O-N 2.82Å; G677-R701 PolarHBondContact O-NH1 3.48Å
678	V	98.7	Very high	97.3	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.018	8%	0.075	C	C	.	.			trans	-58.8	125.1	169.5	-175.9	0	0	0	0	108.4	Y626 T673 I676 F680 R701	Y626-V678 WeakPolarHBondContact O-CA 3.49Å; T673-V678 HydrophobicContact CG2-CG2 4.39Å; T673-V678 WeakPolarHBondContact O-CG2 3.33Å; T673-V678 PolarHBondContact O-N 3.11Å; T673-V678 VanDerWaalsContact O-N 3.11Å; I676-V678 HydrophobicContact CD1-CG2 3.82Å; I676-V678 HydrophobicContact CG1-CG2 3.73Å; I676-V678 PolarHBondContact O-N 3.11Å; V678-F680 VanDerWaalsContact CG1-O 3.29Å; V678-F680 WeakPolarHBondContact CG1-O 3.41Å; V678-R701 WeakPolarHBondContact O-CB 3.45Å; V678-R701 WeakPolarHBondContact O-CD 2.86Å
679	A	98.4	Very high	97.4	Very high	3 Å²	3	10.8 Å²	10.8	3%	0.025	5%	0.053	C	C	.	.	S	Bend	trans	-67.4	-43.1	-171.2	0	0	0	0	0	112.8	A621 A624 Y626 G677 R701	A621-A679 HydrophobicContact CB-CB 4.2Å; A624-A679 HydrophobicContact CB-CB 3.96Å; Y626-A679 PolarHBondContact O-N 3.08Å; G677-A679 PolarHBondContact O-N 2.82Å; A679-R701 VanDerWaalsContact O-CB 3.24Å; A679-R701 WeakPolarHBondContact O-CB 3.41Å; A679-R701 PolarHBondContact O-N 3.08Å; A679-R701 VanDerWaalsContact O-N 3.13Å
680	F	98.8	Very high	97.3	Very high	13 Å²	13	12.2 Å²	12.2	6%	0.057	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.5	-177.2	-51.7	-70.4	0	0	0	112.5	A621 K627 C628 S629 V678 L698 R699 V718 L721 W728	A621-F680 HydrophobicContact CB-CE2 3.93Å; A621-F680 HydrophobicContact CB-CZ 4.17Å; K627-F680 WeakPolarHBondContact O-CD2 3.3Å; K627-F680 PolarHBondContact O-N 2.87Å; C628-F680 CarbonylContact C-O 3.57Å; C628-F680 VanDerWaalsContact CA-O 3.29Å; C628-F680 WeakPolarHBondContact CA-O 3.28Å; S629-F680 PolarHBondContact N-O 2.79Å; S629-F680 PolarHBondContact OG-O 3.23Å; V678-F680 VanDerWaalsContact CG1-O 3.29Å; V678-F680 WeakPolarHBondContact CG1-O 3.41Å; F680-L698 HydrophobicContact CB-CD1 3.94Å; F680-R699 CarbonylContact C-O 3.58Å; F680-R699 VanDerWaalsContact CA-O 3.27Å; F680-R699 WeakPolarHBondContact CA-O 3.26Å; F680-V718 HydrophobicContact CD2-CG1 4.29Å; F680-L721 HydrophobicContact CD1-CD1 4.17Å; F680-L721 HydrophobicContact CD2-CB 4.34Å; F680-L721 HydrophobicContact CD2-CD1 4.27Å; F680-L721 HydrophobicContact CE1-CD1 3.87Å; F680-L721 HydrophobicContact CE1-CD2 4.41Å; F680-L721 HydrophobicContact CE2-CB 3.5Å; F680-L721 VanDerWaalsContact CE2-CB 3.5Å; F680-L721 HydrophobicContact CE2-CD1 3.96Å; F680-L721 HydrophobicContact CE2-CG 4.26Å; F680-L721 HydrophobicContact CG-CD1 4.38Å; F680-L721 HydrophobicContact CZ-CB 3.64Å; F680-L721 HydrophobicContact CZ-CD1 3.76Å; F680-L721 HydrophobicContact CZ-CD2 4.02Å; F680-L721 HydrophobicContact CZ-CG 4.03Å; F680-W728 HydrophobicContact CD1-CE3 4.42Å; F680-W728 HydrophobicContact CD1-CZ3 4.43Å; F680-W728 HydrophobicContact CE1-CE3 4.14Å
681	G	98.6	Very high	97.1	Very high	1 Å²	1	14 Å²	14	1%	0.01	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130	174.7	0	0	0	0	0	112.1	S629 L698 R699	S629-G681 VanDerWaalsContact OG-CA 3.26Å; S629-G681 WeakPolarHBondContact OG-CA 3.3Å; G681-L698 CarbonylContact O-C 3.53Å; G681-R699 PolarHBondContact N-O 2.82Å; G681-R699 WeakPolarHBondContact O-CB 3.09Å; G681-R699 PolarHBondContact O-N 3.28Å
682	I	98.7	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.6	171.7	-66.2	170.2	0	0	0	108.7	S629 L631 L646 M650 A696 T697 L698 L714 V718	S629-I682 PolarHBondContact O-N 3.39Å; L631-I682 PolarHBondContact N-O 3.5Å; L646-I682 HydrophobicContact CD1-CG2 3.97Å; M650-I682 HydrophobicContact CE-CD1 3.25Å; I682-A696 HydrophobicContact CG2-CB 3.96Å; I682-T697 CarbonylContact C-O 3.56Å; I682-T697 WeakPolarHBondContact CA-O 3.45Å; I682-L698 HydrophobicContact CG1-CD1 3.77Å; I682-L714 HydrophobicContact CD1-CB 3.86Å; I682-L714 HydrophobicContact CD1-CD1 4.06Å; I682-L714 HydrophobicContact CD1-CG 4.41Å; I682-L714 HydrophobicContact CG1-CD1 4.29Å; I682-L714 HydrophobicContact CG2-CD1 3.93Å; I682-V718 HydrophobicContact CD1-CG2 4.42Å
683	T	98.5	Very high	96.8	Very high	6 Å²	6	19.1 Å²	19.1	4%	0.037	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125	172	-62.3	0	0	0	0	111.6	L631 L633 I666 Y670 T697	L631-T683 VanDerWaalsContact O-CA 3.26Å; L631-T683 WeakPolarHBondContact O-CA 3.35Å; L633-T683 HydrophobicContact CB-CG2 4.37Å; L633-T683 HydrophobicContact CD1-CG2 4.41Å; I666-T683 HydrophobicContact CD1-CG2 3.94Å; I666-T683 HydrophobicContact CG1-CG2 4.22Å; Y670-T683 VanDerWaalsContact CZ-OG1 3.3Å; Y670-T683 PolarHBondContact OH-OG1 3.35Å; T683-T697 VanDerWaalsContact CB-OG1 3.31Å; T683-T697 WeakPolarHBondContact CB-OG1 3.26Å; T683-T697 PolarHBondContact N-O 3.06Å; T683-T697 PolarHBondContact O-N 3.02Å; T683-T697 VanDerWaalsContact O-N 3.08Å; T683-T697 PolarHBondContact O-OG1 2.83Å; T683-T697 VanDerWaalsContact O-OG1 3.13Å
684	I	98.2	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.6	176.2	-59.6	167.9	0	0	0	107.3	V630 L631 P632 L633 F639 F642 V643 L646 T688	V630-I684 HydrophobicContact CG1-CD1 4.06Å; L631-I684 PolarHBondContact O-N 3.35Å; P632-I684 CarbonylContact C-O 3.56Å; L633-I684 WeakPolarHBondContact CB-O 3.45Å; L633-I684 PolarHBondContact N-O 3.33Å; F639-I684 HydrophobicContact CB-CG2 4.07Å; F639-I684 HydrophobicContact CD1-CG2 4.02Å; F639-I684 HydrophobicContact CG-CG2 4.27Å; F642-I684 HydrophobicContact CB-CD1 3.97Å; F642-I684 HydrophobicContact CB-CG2 4Å; V643-I684 HydrophobicContact CB-CD1 4.16Å; V643-I684 HydrophobicContact CG2-CD1 3.54Å; L646-I684 HydrophobicContact CD1-CD1 3.71Å; L646-I684 HydrophobicContact CD1-CG1 3.94Å; I684-T688 HydrophobicContact CG2-CG2 3.93Å
685	D	96.2	Very high	96.7	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.027	13%	0.13	C	C	.	.			trans	-125.2	-171.7	-176.6	61.1	17.9	0	0	0	111.8	L633 F639 D687 T688 V689 R708	L633-D685 HydrophobicContact CB-CB 3.98Å; L633-D685 HydrophobicContact CD2-CB 3.79Å; L633-D685 HydrophobicContact CG-CB 4.41Å; F639-D685 WeakPolarHBondContact CE1-O 3.27Å; D685-D687 PolarHBondContact O-N 2.82Å; D685-D687 WeakPolarHBondContact OD1-CB 3.47Å; D685-D687 PolarHBondContact OD1-N 2.87Å; D685-D687 VanDerWaalsContact OD1-N 3.12Å; D685-T688 PolarHBondContact N-OG1 3.4Å; D685-T688 VanDerWaalsContact O-CB 3.24Å; D685-T688 WeakPolarHBondContact O-CB 3.25Å; D685-T688 PolarHBondContact O-N 3.39Å; D685-T688 PolarHBondContact O-OG1 3.24Å; D685-T688 PolarHBondContact OD1-N 2.95Å; D685-T688 PolarHBondContact OD1-OG1 3.23Å; D685-V689 PolarHBondContact O-N 2.95Å; D685-R708 IonicContact OD1-CZ 3.23Å; D685-R708 IonicContact OD1-NH1 3.93Å; D685-R708 IonicContact OD1-NH2 3.06Å; D685-R708 PolarHBondContact OD1-NH2 3.02Å; D685-R708 IonicContact OD2-CZ 2.9Å; D685-R708 IonicContact OD2-NH2 3.19Å; D685-R708 PolarHBondContact OD2-NH2 3.41Å
686	F	95.9	Very high	96.7	Very high	23 Å²	23	22.8 Å²	22.8	10%	0.101	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-30.4	-179.3	-72.7	-70.1	0	0	0	112.7	L633 N636 F639 T688 V689 N690 T743 K745	L633-F686 HydrophobicContact CD2-CD2 4.22Å; L633-F686 HydrophobicContact CD2-CE2 4.48Å; N636-F686 VanDerWaalsContact ND2-CE1 3.32Å; N636-F686 WeakPolarHBondContact ND2-CE1 3.4Å; F639-F686 HydrophobicContact CE1-CD1 4.03Å; F639-F686 HydrophobicContact CE1-CE1 4.25Å; F639-F686 HydrophobicContact CE1-CG 4.32Å; F639-F686 HydrophobicContact CE2-CZ 4.48Å; F639-F686 AromaticContact CZ-CD1 3.88Å; F639-F686 HydrophobicContact CZ-CD1 3.88Å; F639-F686 HydrophobicContact CZ-CD2 4.07Å; F639-F686 AromaticContact CZ-CE1 3.79Å; F639-F686 HydrophobicContact CZ-CE1 3.79Å; F639-F686 AromaticContact CZ-CE2 3.97Å; F639-F686 HydrophobicContact CZ-CE2 3.97Å; F639-F686 HydrophobicContact CZ-CG 4.02Å; F639-F686 AromaticContact CZ-CZ 3.83Å; F639-F686 HydrophobicContact CZ-CZ 3.83Å; F686-T688 PolarHBondContact O-N 3.35Å; F686-V689 PolarHBondContact O-N 2.76Å; F686-N690 WeakPolarHBondContact O-CB 3.35Å; F686-N690 PolarHBondContact O-N 3.03Å; F686-N690 PolarHBondContact O-ND2 3.36Å; F686-N690 VanDerWaalsContact O-ND2 3.15Å; F686-T743 WeakPolarHBondContact CB-O 3.45Å; F686-T743 PolarHBondContact O-OG1 2.9Å; F686-K745 HydrophobicContact CD1-CB 4.37Å; F686-K745 HydrophobicContact CE1-CB 3.61Å; F686-K745 HydrophobicContact CE1-CG 3.93Å; F686-K745 HydrophobicContact CE2-CB 4.39Å; F686-K745 HydrophobicContact CZ-CB 3.63Å; F686-K745 HydrophobicContact CZ-CG 4.17Å
687	D	95.6	Very high	96.7	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.011	13%	0.126	C	C	.	.	H	α-helix	trans	-66	-31.3	174	-81.7	8.4	0	0	0	111.2	D685 V689 K691 R708 E742 T743	D685-D687 PolarHBondContact O-N 2.82Å; D685-D687 WeakPolarHBondContact OD1-CB 3.47Å; D685-D687 PolarHBondContact OD1-N 2.87Å; D685-D687 VanDerWaalsContact OD1-N 3.12Å; D687-V689 VanDerWaalsContact C-N 3.34Å; D687-V689 PolarHBondContact O-N 3.03Å; D687-K691 HydrophobicContact CB-CD 4.05Å; D687-K691 VanDerWaalsContact O-CB 3.3Å; D687-K691 WeakPolarHBondContact O-CB 3.45Å; D687-K691 PolarHBondContact O-N 2.93Å; D687-K691 VanDerWaalsContact O-N 3.16Å; D687-K691 IonicContact OD1-NZ 3.62Å; D687-K691 WeakPolarHBondContact OD2-CE 3.39Å; D687-K691 IonicContact OD2-NZ 2.69Å; D687-K691 PolarHBondContact OD2-NZ 3.41Å; D687-R708 VanDerWaalsContact CB-NH1 3.34Å; D687-E742 PolarHBondContact OD1-N 2.98Å; D687-E742 PolarHBondContact OD2-N 2.9Å; D687-T743 WeakPolarHBondContact CA-OG1 3.32Å; D687-T743 PolarHBondContact N-OG1 2.69Å; D687-T743 WeakPolarHBondContact OD1-CA 3.43Å; D687-T743 WeakPolarHBondContact OD1-CB 3.38Å; D687-T743 WeakPolarHBondContact OD1-CG2 3.44Å; D687-T743 PolarHBondContact OD1-N 2.9Å; D687-T743 PolarHBondContact OD1-OG1 3.42Å
688	T	96.6	Very high	96.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-43.8	172.6	-49.7	0	0	0	0	112	F642 I684 D685 F686 H694 T695 A696 V711	F642-T688 HydrophobicContact CD1-CG2 4.06Å; F642-T688 HydrophobicContact CD2-CG2 4.44Å; F642-T688 HydrophobicContact CE1-CG2 4.33Å; F642-T688 HydrophobicContact CG-CG2 4.11Å; I684-T688 HydrophobicContact CG2-CG2 3.93Å; D685-T688 PolarHBondContact N-OG1 3.4Å; D685-T688 VanDerWaalsContact O-CB 3.24Å; D685-T688 WeakPolarHBondContact O-CB 3.25Å; D685-T688 PolarHBondContact O-N 3.39Å; D685-T688 PolarHBondContact O-OG1 3.24Å; D685-T688 PolarHBondContact OD1-N 2.95Å; D685-T688 PolarHBondContact OD1-OG1 3.23Å; F686-T688 PolarHBondContact O-N 3.35Å; T688-H694 PolarHBondContact O-ND1 2.8Å; T688-T695 WeakPolarHBondContact CA-O 3.24Å; T688-T695 VanDerWaalsContact CB-O 3.22Å; T688-T695 WeakPolarHBondContact CB-O 3.45Å; T688-T695 WeakPolarHBondContact CG2-O 3.35Å; T688-T695 PolarHBondContact OG1-O 3.4Å; T688-A696 HydrophobicContact CG2-CB 4.48Å; T688-V711 HydrophobicContact CG2-CG2 3.88Å
689	V	95.9	Very high	96.8	Very high	33 Å²	33	22.8 Å²	22.8	20%	0.2	13%	0.126	C	C	.	.	H	α-helix	trans	-78.4	-42.4	-177	-177.9	0	0	0	0	111.7	E638 F639 F642 D685 F686 D687	E638-V689 HydrophobicContact CB-CG1 4.2Å; E638-V689 HydrophobicContact CB-CG2 4.3Å; F639-V689 HydrophobicContact CD1-CG2 3.52Å; F639-V689 HydrophobicContact CE1-CG2 3.7Å; F642-V689 HydrophobicContact CD2-CG2 4.26Å; F642-V689 HydrophobicContact CE2-CB 4.46Å; F642-V689 HydrophobicContact CE2-CG2 4Å; D685-V689 PolarHBondContact O-N 2.95Å; F686-V689 PolarHBondContact O-N 2.76Å; D687-V689 VanDerWaalsContact C-N 3.34Å; D687-V689 PolarHBondContact O-N 3.03Å
690	N	94	Very high	96.8	Very high	32 Å²	32	23.4 Å²	23.4	17%	0.171	13%	0.129	C	C	.	.	H	α-helix	trans	-91.2	-19.1	-166.2	-70.1	-41.7	0	0	0	114.7	F686 T743 S744 K746	F686-N690 WeakPolarHBondContact O-CB 3.35Å; F686-N690 PolarHBondContact O-N 3.03Å; F686-N690 PolarHBondContact O-ND2 3.36Å; F686-N690 VanDerWaalsContact O-ND2 3.15Å; N690-T743 HydrophobicContact CB-CG2 4.11Å; N690-T743 PolarHBondContact ND2-OG1 3.4Å; N690-S744 PolarHBondContact ND2-O 3.48Å; N690-K746 WeakPolarHBondContact OD1-CD 3.39Å; N690-K746 WeakPolarHBondContact OD1-CE 3.29Å
691	K	92.6	Very high	96.7	Very high	55 Å²	55	23.2 Å²	23.2	24%	0.239	13%	0.128	C	C	.	.	S	Bend	trans	-105.8	153.2	-178	-63.4	-178.6	173.2	173.1	0	112	D687 H694 E742 T743	D687-K691 HydrophobicContact CB-CD 4.05Å; D687-K691 VanDerWaalsContact O-CB 3.3Å; D687-K691 WeakPolarHBondContact O-CB 3.45Å; D687-K691 PolarHBondContact O-N 2.93Å; D687-K691 VanDerWaalsContact O-N 3.16Å; D687-K691 IonicContact OD1-NZ 3.62Å; D687-K691 WeakPolarHBondContact OD2-CE 3.39Å; D687-K691 IonicContact OD2-NZ 2.69Å; D687-K691 PolarHBondContact OD2-NZ 3.41Å; K691-H694 PolarHBondContact O-ND1 3.07Å; K691-E742 WeakPolarHBondContact CE-OE2 3.22Å; K691-E742 IonicContact NZ-OE1 2.84Å; K691-E742 IonicContact NZ-OE2 2.82Å; K691-E742 PolarHBondContact NZ-OE2 2.95Å; K691-T743 HydrophobicContact CG-CG2 4.41Å
692	T	90.9	Very high	96.7	Very high	127 Å²	127	26.1 Å²	26.1	78%	0.779	14%	0.143	S	C	*	.	S	Bend	trans	-125.3	126.4	170.8	-51	0	0	0	0	108.2
693	P	94.3	Very high	96.6	Very high	71 Å²	71	28.5 Å²	28.5	46%	0.461	16%	0.16	S	C	.	.	S	Bend	cis	-68.2	154.3	2	30.3	-36	0	0	0	113.4	T695 E710	P693-T695 PolarHBondContact O-N 2.94Å; P693-E710 HydrophobicContact CB-CG 4.25Å; P693-E710 HydrophobicContact CG-CG 4.31Å
694	H	97.2	Very high	96.5	Very high	79 Å²	79	31.7 Å²	31.7	37%	0.366	18%	0.175	S	C	.	.			trans	-69.4	116.1	177.3	-63.4	-59.6	0	0	0	109.8	F642 T688 K691 E710 V711	F642-H694 HydrophobicContact CE1-CB 4.01Å; F642-H694 AromaticContact CE1-CG 3.72Å; F642-H694 AromaticContact CE1-ND1 3.92Å; F642-H694 AromaticContact CZ-CE1 3.9Å; F642-H694 AromaticContact CZ-ND1 3.72Å; T688-H694 PolarHBondContact O-ND1 2.8Å; K691-H694 PolarHBondContact O-ND1 3.07Å; H694-E710 WeakPolarHBondContact O-CA 3.45Å; H694-V711 HydrophobicContact CB-CG2 4.26Å; H694-V711 PolarHBondContact O-N 2.82Å
695	T	97.6	Very high	96.4	Very high	22 Å²	22	37 Å²	37	14%	0.135	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147	-179	56.7	0	0	0	0	110.7	T688 P693 R708 A709 E710	T688-T695 WeakPolarHBondContact CA-O 3.24Å; T688-T695 VanDerWaalsContact CB-O 3.22Å; T688-T695 WeakPolarHBondContact CB-O 3.45Å; T688-T695 WeakPolarHBondContact CG2-O 3.35Å; T688-T695 PolarHBondContact OG1-O 3.4Å; P693-T695 PolarHBondContact O-N 2.94Å; T695-R708 PolarHBondContact O-NH1 3.35Å; T695-R708 PolarHBondContact OG1-NH1 3.21Å; T695-A709 CarbonylContact C-O 3.52Å; T695-A709 WeakPolarHBondContact CA-O 3.47Å; T695-A709 WeakPolarHBondContact CB-O 3.02Å; T695-E710 HydrophobicContact CG2-CG 3.95Å
696	A	98.1	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	165.1	173	0	0	0	0	0	109.8	I682 T688 R708 A709 V711 L714	I682-A696 HydrophobicContact CG2-CB 3.96Å; T688-A696 HydrophobicContact CG2-CB 4.48Å; A696-R708 WeakPolarHBondContact O-CA 3.31Å; A696-A709 PolarHBondContact N-O 2.89Å; A696-A709 PolarHBondContact O-N 3.02Å; A696-V711 HydrophobicContact CB-CG2 4.07Å; A696-L714 HydrophobicContact CB-CD1 3.77Å
697	T	98.4	Very high	96.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	142.3	178	55.9	0	0	0	0	110.4	I682 T683 I707 F738	I682-T697 CarbonylContact C-O 3.56Å; I682-T697 WeakPolarHBondContact CA-O 3.45Å; T683-T697 VanDerWaalsContact CB-OG1 3.31Å; T683-T697 WeakPolarHBondContact CB-OG1 3.26Å; T683-T697 PolarHBondContact N-O 3.06Å; T683-T697 PolarHBondContact O-N 3.02Å; T683-T697 VanDerWaalsContact O-N 3.08Å; T683-T697 PolarHBondContact O-OG1 2.83Å; T683-T697 VanDerWaalsContact O-OG1 3.13Å; T697-I707 CarbonylContact C-O 3.51Å; T697-I707 WeakPolarHBondContact CA-O 3.35Å; T697-F738 HydrophobicContact CG2-CB 4.28Å; T697-F738 HydrophobicContact CG2-CD1 4.1Å; T697-F738 HydrophobicContact CG2-CD2 3.53Å; T697-F738 HydrophobicContact CG2-CE1 4.29Å; T697-F738 HydrophobicContact CG2-CE2 3.73Å; T697-F738 HydrophobicContact CG2-CG 3.7Å; T697-F738 HydrophobicContact CG2-CZ 4.1Å
698	L	98.7	Very high	96.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.4	168.7	-179.1	64.8	0	0	0	107.9	F680 G681 I682 Q706 I707 L714 I717 V718 L721 W728	F680-L698 HydrophobicContact CB-CD1 3.94Å; G681-L698 CarbonylContact O-C 3.53Å; I682-L698 HydrophobicContact CG1-CD1 3.77Å; L698-Q706 CarbonylContact O-C 3.51Å; L698-Q706 VanDerWaalsContact O-CA 3.23Å; L698-Q706 WeakPolarHBondContact O-CA 3.41Å; L698-I707 HydrophobicContact CB-CD1 3.66Å; L698-I707 HydrophobicContact CB-CG1 4.05Å; L698-I707 HydrophobicContact CD2-CD1 4.29Å; L698-I707 PolarHBondContact N-O 3.5Å; L698-I707 PolarHBondContact O-N 2.88Å; L698-L714 HydrophobicContact CB-CD2 3.8Å; L698-L714 HydrophobicContact CD2-CD2 4.24Å; L698-L714 HydrophobicContact CG-CD2 4.42Å; L698-I717 HydrophobicContact CD2-CG2 3.85Å; L698-V718 HydrophobicContact CD1-CG2 3.72Å; L698-V718 HydrophobicContact CD2-CG2 4.41Å; L698-L721 HydrophobicContact CD2-CD1 4.23Å; L698-W728 HydrophobicContact CD2-CZ3 4Å; L698-W728 HydrophobicContact CG-CH2 4.35Å; L698-W728 HydrophobicContact CG-CZ3 4.04Å; L698-W728 WeakPolarHBondContact O-CH2 3.43Å
699	R	98.6	Very high	96.8	Very high	6 Å²	6	39.4 Å²	39.4	2%	0.023	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.3	-179.3	-176.8	176.5	166.6	-94.5	7.5	110.8	Y670 D674 F680 G681 R705 Q706	Y670-R699 HydrophobicContact CE1-CB 4.26Å; Y670-R699 VanDerWaalsContact CE1-CD 3.43Å; Y670-R699 HydrophobicContact CE1-CG 4.43Å; D674-R699 IonicContact OD1-CZ 2.74Å; D674-R699 IonicContact OD1-NH1 3.01Å; D674-R699 PolarHBondContact OD1-NH1 3.45Å; D674-R699 IonicContact OD1-NH2 2.66Å; D674-R699 PolarHBondContact OD1-NH2 3.02Å; D674-R699 IonicContact OD2-CZ 2.83Å; D674-R699 IonicContact OD2-NH1 3.61Å; D674-R699 IonicContact OD2-NH2 3.86Å; D674-R699 PolarHBondContact OD2-NH2 2.84Å; F680-R699 CarbonylContact C-O 3.58Å; F680-R699 VanDerWaalsContact CA-O 3.27Å; F680-R699 WeakPolarHBondContact CA-O 3.26Å; G681-R699 PolarHBondContact N-O 2.82Å; G681-R699 WeakPolarHBondContact O-CB 3.09Å; G681-R699 PolarHBondContact O-N 3.28Å; R699-R705 WeakPolarHBondContact CA-O 3.41Å; R699-Q706 HydrophobicContact CB-CG 3.6Å; R699-Q706 HydrophobicContact CG-CG 3.75Å
700	D	98.6	Very high	96.9	Very high	16 Å²	16	40.8 Å²	40.8	9%	0.086	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.3	164.6	169.9	54.3	0	0	0	111.5	D702 S703 M704 R705 W728	D700-D702 PolarHBondContact OD2-N 3.16Å; D700-S703 VanDerWaalsContact OD2-CB 3.26Å; D700-S703 WeakPolarHBondContact OD2-CB 3.25Å; D700-S703 PolarHBondContact OD2-N 3.11Å; D700-S703 PolarHBondContact OD2-OG 2.93Å; D700-M704 WeakPolarHBondContact O-CA 3.27Å; D700-M704 PolarHBondContact O-N 3.38Å; D700-M704 VanDerWaalsContact O-N 3.09Å; D700-R705 PolarHBondContact N-O 3.23Å; D700-W728 HydrophobicContact CB-CD2 3.47Å; D700-W728 VanDerWaalsContact CB-CD2 3.47Å; D700-W728 HydrophobicContact CB-CE3 3.83Å; D700-W728 HydrophobicContact CB-CG 3.98Å; D700-W728 HydrophobicContact CB-CH2 3.94Å; D700-W728 HydrophobicContact CB-CZ2 3.59Å; D700-W728 HydrophobicContact CB-CZ3 4.04Å
701	R	98.4	Very high	97	Very high	8 Å²	8	39.7 Å²	39.7	3%	0.03	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-52.5	179.8	178.7	-162.8	63.1	-137.5	-14.2	110.7	R608 Y616 F617 F619 G677 V678 A679	R608-R701 PolarHBondContact NH1-O 2.99Å; R608-R701 PolarHBondContact NH2-O 2.66Å; Y616-R701 HydrophobicContact CD2-CG 4.14Å; F617-R701 VanDerWaalsContact O-CD 3.27Å; F617-R701 WeakPolarHBondContact O-CD 3.26Å; F617-R701 PolarHBondContact O-NE 3Å; F617-R701 PolarHBondContact O-NH1 2.76Å; F619-R701 VanDerWaalsContact N-NH1 3.13Å; F619-R701 PolarHBondContact O-NH1 3.1Å; F619-R701 PolarHBondContact O-NH2 3.27Å; G677-R701 PolarHBondContact O-NH1 3.48Å; V678-R701 WeakPolarHBondContact O-CB 3.45Å; V678-R701 WeakPolarHBondContact O-CD 2.86Å; A679-R701 VanDerWaalsContact O-CB 3.24Å; A679-R701 WeakPolarHBondContact O-CB 3.41Å; A679-R701 PolarHBondContact O-N 3.08Å; A679-R701 VanDerWaalsContact O-N 3.13Å
702	D	96.8	Very high	97.2	Very high	62 Å²	62	42.1 Å²	42.1	33%	0.332	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-54.7	-165.3	-63.4	-22.9	0	0	0	110.9	R608 Y616 S618 D700 M704	R608-D702 PolarHBondContact NH1-O 3.49Å; Y616-D702 WeakPolarHBondContact CE2-OD1 3.41Å; S618-D702 PolarHBondContact OG-OD1 3.38Å; D700-D702 PolarHBondContact OD2-N 3.16Å; D702-M704 VanDerWaalsContact C-N 3.32Å; D702-M704 PolarHBondContact O-N 3.15Å
703	S	96.6	Very high	97.5	Very high	51 Å²	51	40.2 Å²	40.2	36%	0.357	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-19	-180	68.6	0	0	0	0	114	D700 R705	D700-S703 VanDerWaalsContact OD2-CB 3.26Å; D700-S703 WeakPolarHBondContact OD2-CB 3.25Å; D700-S703 PolarHBondContact OD2-N 3.11Å; D700-S703 PolarHBondContact OD2-OG 2.93Å; S703-R705 PolarHBondContact O-N 3.46Å; S703-R705 VanDerWaalsContact O-N 3.08Å; S703-R705 WeakPolarHBondContact OG-CB 3.4Å; S703-R705 PolarHBondContact OG-N 3.32Å
704	M	96.6	Very high	97.7	Very high	73 Å²	73	36.9 Å²	36.9	36%	0.36	18%	0.18	S	C	.	.			trans	60.5	4.8	-168.6	-47.7	-172.8	35	0	0	115	R608 D700 D702	R608-M704 VanDerWaalsContact CZ-SD 3.5Å; R608-M704 VanDerWaalsContact NH1-CG 3.27Å; D700-M704 WeakPolarHBondContact O-CA 3.27Å; D700-M704 PolarHBondContact O-N 3.38Å; D700-M704 VanDerWaalsContact O-N 3.09Å; D702-M704 VanDerWaalsContact C-N 3.32Å; D702-M704 PolarHBondContact O-N 3.15Å
705	R	97.2	Very high	97.7	Very high	111 Å²	111	33.2 Å²	33.2	42%	0.419	16%	0.163	S	C	.	.			trans	-74.3	156.1	-179.9	-66	177.6	68.7	-155.9	-12.2	110.4	R699 D700 S703 W728 E732	R699-R705 WeakPolarHBondContact CA-O 3.41Å; D700-R705 PolarHBondContact N-O 3.23Å; S703-R705 PolarHBondContact O-N 3.46Å; S703-R705 VanDerWaalsContact O-N 3.08Å; S703-R705 WeakPolarHBondContact OG-CB 3.4Å; S703-R705 PolarHBondContact OG-N 3.32Å; R705-W728 WeakPolarHBondContact O-CZ2 3.34Å; R705-E732 IonicContact CZ-OE1 3.83Å; R705-E732 IonicContact CZ-OE2 3.22Å; R705-E732 IonicContact NE-OE1 2.68Å; R705-E732 PolarHBondContact NE-OE1 3.36Å; R705-E732 VanDerWaalsContact NH1-CD 3.26Å; R705-E732 IonicContact NH1-OE1 2.95Å; R705-E732 PolarHBondContact NH1-OE1 3.04Å; R705-E732 IonicContact NH1-OE2 2.93Å; R705-E732 PolarHBondContact NH1-OE2 3.13Å; R705-E732 VanDerWaalsContact NH2-CD 3.26Å; R705-E732 IonicContact NH2-OE1 3.04Å; R705-E732 PolarHBondContact NH2-OE1 2.92Å; R705-E732 IonicContact NH2-OE2 2.97Å; R705-E732 PolarHBondContact NH2-OE2 2.89Å
706	Q	98	Very high	97.7	Very high	46 Å²	46	34.9 Å²	34.9	22%	0.215	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.2	-172.7	-72.1	176.1	79.1	0	0	110.9	L698 R699 F738	L698-Q706 CarbonylContact O-C 3.51Å; L698-Q706 VanDerWaalsContact O-CA 3.23Å; L698-Q706 WeakPolarHBondContact O-CA 3.41Å; R699-Q706 HydrophobicContact CB-CG 3.6Å; R699-Q706 HydrophobicContact CG-CG 3.75Å; Q706-F738 HydrophobicContact CB-CB 3.82Å; Q706-F738 HydrophobicContact CB-CD1 4.28Å; Q706-F738 HydrophobicContact CB-CG 4.45Å; Q706-F738 PolarHBondContact O-N 2.56Å
707	I	98.1	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	166.9	165	63.3	79.7	0	0	0	109.3	T697 L698 A709 W728 V731 E732 Y735 P736	T697-I707 CarbonylContact C-O 3.51Å; T697-I707 WeakPolarHBondContact CA-O 3.35Å; L698-I707 HydrophobicContact CB-CD1 3.66Å; L698-I707 HydrophobicContact CB-CG1 4.05Å; L698-I707 HydrophobicContact CD2-CD1 4.29Å; L698-I707 PolarHBondContact N-O 3.5Å; L698-I707 PolarHBondContact O-N 2.88Å; I707-A709 HydrophobicContact CD1-CB 3.95Å; I707-W728 HydrophobicContact CG1-CH2 4.11Å; I707-W728 HydrophobicContact CG2-CH2 4.49Å; I707-W728 HydrophobicContact CG2-CZ2 4.43Å; I707-V731 HydrophobicContact CD1-CG1 4.37Å; I707-V731 HydrophobicContact CG1-CG1 3.74Å; I707-V731 HydrophobicContact CG2-CG1 4.49Å; I707-E732 HydrophobicContact CG2-CG 4.21Å; I707-Y735 HydrophobicContact CD1-CG 4.25Å; I707-P736 CarbonylContact C-O 3.5Å; I707-P736 VanDerWaalsContact CA-O 3.23Å; I707-P736 WeakPolarHBondContact CA-O 3.41Å; I707-P736 WeakPolarHBondContact CB-O 3.43Å
708	R	97.9	Very high	97.7	Very high	29 Å²	29	35.2 Å²	35.2	11%	0.109	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.6	172.4	-179.1	163.8	-87.3	-97.6	0	110.2	D685 D687 T695 A696 P736	D685-R708 IonicContact OD1-CZ 3.23Å; D685-R708 IonicContact OD1-NH1 3.93Å; D685-R708 IonicContact OD1-NH2 3.06Å; D685-R708 PolarHBondContact OD1-NH2 3.02Å; D685-R708 IonicContact OD2-CZ 2.9Å; D685-R708 IonicContact OD2-NH2 3.19Å; D685-R708 PolarHBondContact OD2-NH2 3.41Å; D687-R708 VanDerWaalsContact CB-NH1 3.34Å; T695-R708 PolarHBondContact O-NH1 3.35Å; T695-R708 PolarHBondContact OG1-NH1 3.21Å; A696-R708 WeakPolarHBondContact O-CA 3.31Å; R708-P736 PolarHBondContact N-O 2.97Å; R708-P736 WeakPolarHBondContact O-CD 3.34Å; R708-P736 WeakPolarHBondContact O-CG 3.39Å
709	A	97.7	Very high	97.7	Very high	5 Å²	5	39 Å²	39	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162.1	179.7	0	0	0	0	0	110.9	T695 A696 I707 L714 I717 Y735	T695-A709 CarbonylContact C-O 3.52Å; T695-A709 WeakPolarHBondContact CA-O 3.47Å; T695-A709 WeakPolarHBondContact CB-O 3.02Å; A696-A709 PolarHBondContact N-O 2.89Å; A696-A709 PolarHBondContact O-N 3.02Å; I707-A709 HydrophobicContact CD1-CB 3.95Å; A709-L714 HydrophobicContact CB-CD2 3.88Å; A709-L714 HydrophobicContact CB-CG 4.33Å; A709-I717 HydrophobicContact CB-CD1 4.17Å; A709-Y735 HydrophobicContact CB-CD1 3.73Å; A709-Y735 HydrophobicContact CB-CE1 3.97Å; A709-Y735 HydrophobicContact CB-CG 4.46Å
710	E	97.9	Very high	97.7	Very high	63 Å²	63	40.6 Å²	40.6	29%	0.294	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	140.5	176	-64	173.4	-108	0	0	110.9	P693 H694 T695 D712 K713 L714	P693-E710 HydrophobicContact CB-CG 4.25Å; P693-E710 HydrophobicContact CG-CG 4.31Å; H694-E710 WeakPolarHBondContact O-CA 3.45Å; T695-E710 HydrophobicContact CG2-CG 3.95Å; E710-D712 WeakPolarHBondContact CB-OD1 3.34Å; E710-D712 PolarHBondContact O-N 3Å; E710-K713 HydrophobicContact CB-CD 4.25Å; E710-K713 HydrophobicContact CB-CG 4.47Å; E710-K713 PolarHBondContact O-N 2.76Å; E710-K713 VanDerWaalsContact O-N 3.09Å; E710-K713 IonicContact OE1-NZ 2.67Å; E710-K713 PolarHBondContact OE1-NZ 3.09Å; E710-L714 PolarHBondContact O-N 2.92Å
711	V	96.8	Very high	97.6	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.048	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.9	-172.9	169.6	0	0	0	0	112	L646 T688 H694 A696 P715	L646-V711 HydrophobicContact CD1-CG1 3.97Å; L646-V711 HydrophobicContact CD2-CG1 3.74Å; L646-V711 WeakPolarHBondContact CD2-O 3.45Å; L646-V711 HydrophobicContact CG-CG1 3.66Å; T688-V711 HydrophobicContact CG2-CG2 3.88Å; H694-V711 HydrophobicContact CB-CG2 4.26Å; H694-V711 PolarHBondContact O-N 2.82Å; A696-V711 HydrophobicContact CB-CG2 4.07Å; V711-P715 WeakPolarHBondContact O-CD 3.42Å
712	D	96.2	Very high	97.6	Very high	106 Å²	106	40.1 Å²	40.1	57%	0.567	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-28.8	179.7	66.6	-26.9	0	0	0	113.9	E710	E710-D712 WeakPolarHBondContact CB-OD1 3.34Å; E710-D712 PolarHBondContact O-N 3Å
713	K	97.3	Very high	97.4	Very high	88 Å²	88	42.1 Å²	42.1	38%	0.383	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-29	179.6	-68.8	174.6	-175.7	166.5	0	112.7	E710 V716 I717	E710-K713 HydrophobicContact CB-CD 4.25Å; E710-K713 HydrophobicContact CB-CG 4.47Å; E710-K713 PolarHBondContact O-N 2.76Å; E710-K713 VanDerWaalsContact O-N 3.09Å; E710-K713 IonicContact OE1-NZ 2.67Å; E710-K713 PolarHBondContact OE1-NZ 3.09Å; K713-V716 PolarHBondContact O-N 3.29Å; K713-V716 VanDerWaalsContact O-N 3.17Å; K713-I717 HydrophobicContact CB-CD1 4.17Å; K713-I717 WeakPolarHBondContact O-CG1 3.49Å; K713-I717 PolarHBondContact O-N 3.47Å; K713-I717 VanDerWaalsContact O-N 3.15Å
714	L	98.2	Very high	97.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.8	-43.8	-173.8	-73.9	172.6	0	0	0	114.7	L646 I682 A696 L698 A709 E710 V716 I717 V718	L646-L714 HydrophobicContact CD2-CB 4.43Å; I682-L714 HydrophobicContact CD1-CB 3.86Å; I682-L714 HydrophobicContact CD1-CD1 4.06Å; I682-L714 HydrophobicContact CD1-CG 4.41Å; I682-L714 HydrophobicContact CG1-CD1 4.29Å; I682-L714 HydrophobicContact CG2-CD1 3.93Å; A696-L714 HydrophobicContact CB-CD1 3.77Å; L698-L714 HydrophobicContact CB-CD2 3.8Å; L698-L714 HydrophobicContact CD2-CD2 4.24Å; L698-L714 HydrophobicContact CG-CD2 4.42Å; A709-L714 HydrophobicContact CB-CD2 3.88Å; A709-L714 HydrophobicContact CB-CG 4.33Å; E710-L714 PolarHBondContact O-N 2.92Å; L714-V716 VanDerWaalsContact C-N 3.27Å; L714-V716 PolarHBondContact O-N 3.09Å; L714-I717 HydrophobicContact CD2-CD1 4.45Å; L714-I717 PolarHBondContact O-N 3.47Å; L714-V718 WeakPolarHBondContact O-CG2 3.46Å; L714-V718 PolarHBondContact O-N 2.99Å
715	P	98.2	Very high	97.2	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.019	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-36.6	178.4	-26	35.5	0	0	0	114	L646 A649 M650 V711 R719	L646-P715 HydrophobicContact CD2-CG 4.26Å; A649-P715 HydrophobicContact CB-CB 4.4Å; A649-P715 HydrophobicContact CB-CG 3.72Å; M650-P715 HydrophobicContact CE-CB 4.25Å; M650-P715 HydrophobicContact CE-CG 4.25Å; M650-P715 HydrophobicContact SD-CB 3.96Å; M650-P715 HydrophobicContact SD-CG 4.42Å; V711-P715 WeakPolarHBondContact O-CD 3.42Å; P715-R719 WeakPolarHBondContact O-CB 3.37Å; P715-R719 PolarHBondContact O-N 2.9Å
716	V	98	Very high	97.1	Very high	57 Å²	57	39.5 Å²	39.5	35%	0.345	22%	0.215	S	C	.	.	H	α-helix	trans	-71.9	-45.7	178.7	176.4	0	0	0	0	110.6	K713 L714 V718 R719 D720	K713-V716 PolarHBondContact O-N 3.29Å; K713-V716 VanDerWaalsContact O-N 3.17Å; L714-V716 VanDerWaalsContact C-N 3.27Å; L714-V716 PolarHBondContact O-N 3.09Å; V716-V718 VanDerWaalsContact C-N 3.32Å; V716-V718 PolarHBondContact O-N 3.06Å; V716-R719 WeakPolarHBondContact O-CB 3.24Å; V716-R719 PolarHBondContact O-N 3.47Å; V716-D720 VanDerWaalsContact O-CG 3.24Å; V716-D720 PolarHBondContact O-N 3.39Å
717	I	98.3	Very high	97	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.036	23%	0.226	C	C	.	.	H	α-helix	trans	-57.3	-47.5	177.1	-61.8	164.4	0	0	0	110.4	L698 A709 K713 L714 D720 L721 L726 V731 Y735	L698-I717 HydrophobicContact CD2-CG2 3.85Å; A709-I717 HydrophobicContact CB-CD1 4.17Å; K713-I717 HydrophobicContact CB-CD1 4.17Å; K713-I717 WeakPolarHBondContact O-CG1 3.49Å; K713-I717 PolarHBondContact O-N 3.47Å; K713-I717 VanDerWaalsContact O-N 3.15Å; L714-I717 HydrophobicContact CD2-CD1 4.45Å; L714-I717 PolarHBondContact O-N 3.47Å; I717-D720 PolarHBondContact O-N 3.36Å; I717-L721 HydrophobicContact CG2-CD1 3.99Å; I717-L721 WeakPolarHBondContact O-CG 3.49Å; I717-L721 PolarHBondContact O-N 3.4Å; I717-L726 HydrophobicContact CG2-CD2 4.19Å; I717-V731 HydrophobicContact CG2-CG2 4.01Å; I717-Y735 HydrophobicContact CD1-CE1 3.91Å; I717-Y735 HydrophobicContact CD1-CE2 3.79Å; I717-Y735 VanDerWaalsContact CD1-CZ 3.42Å; I717-Y735 WeakPolarHBondContact CD1-OH 3.48Å; I717-Y735 HydrophobicContact CG1-CE2 4.28Å
718	V	98.4	Very high	97	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-38.9	-179.8	175.5	0	0	0	0	111.9	K627 C628 M650 V655 F680 I682 L698 L714 V716 D720 A722	K627-V718 HydrophobicContact CB-CG1 4.32Å; C628-V718 HydrophobicContact CB-CG1 3.95Å; M650-V718 HydrophobicContact CE-CB 4.07Å; M650-V718 HydrophobicContact CE-CG1 4.46Å; M650-V718 HydrophobicContact CE-CG2 3.93Å; M650-V718 HydrophobicContact SD-CB 4.4Å; M650-V718 HydrophobicContact SD-CG1 4.49Å; V655-V718 HydrophobicContact CG1-CG1 3.76Å; F680-V718 HydrophobicContact CD2-CG1 4.29Å; I682-V718 HydrophobicContact CD1-CG2 4.42Å; L698-V718 HydrophobicContact CD1-CG2 3.72Å; L698-V718 HydrophobicContact CD2-CG2 4.41Å; L714-V718 WeakPolarHBondContact O-CG2 3.46Å; L714-V718 PolarHBondContact O-N 2.99Å; V716-V718 VanDerWaalsContact C-N 3.32Å; V716-V718 PolarHBondContact O-N 3.06Å; V718-D720 VanDerWaalsContact C-N 3.33Å; V718-D720 PolarHBondContact O-N 3.43Å; V718-A722 VanDerWaalsContact O-CB 3.24Å; V718-A722 WeakPolarHBondContact O-CB 3.5Å; V718-A722 PolarHBondContact O-N 2.84Å
719	R	98.2	Very high	96.9	Very high	80 Å²	80	44.2 Å²	44.2	30%	0.302	25%	0.254	S	S	.	.	H	α-helix	trans	-58.7	-46.1	174	-178.2	-161.2	68.5	-162.7	3.1	111.1	V655 P715 V716 A722 N723	V655-R719 HydrophobicContact CG2-CB 3.69Å; V655-R719 HydrophobicContact CG2-CG 4.23Å; P715-R719 WeakPolarHBondContact O-CB 3.37Å; P715-R719 PolarHBondContact O-N 2.9Å; V716-R719 WeakPolarHBondContact O-CB 3.24Å; V716-R719 PolarHBondContact O-N 3.47Å; R719-A722 PolarHBondContact O-N 3.45Å; R719-N723 WeakPolarHBondContact O-CB 3.41Å; R719-N723 VanDerWaalsContact O-CG 3.25Å; R719-N723 PolarHBondContact O-N 3.08Å; R719-N723 PolarHBondContact O-ND2 2.95Å
720	D	97.9	Very high	96.8	Very high	39 Å²	39	48 Å²	48	21%	0.209	27%	0.271	C	S	.	.	H	α-helix	trans	-71.1	-37.5	-176.2	-65.4	-9.6	0	0	0	111.4	V716 I717 V718 N723 G724 T725 L726	V716-D720 VanDerWaalsContact O-CG 3.24Å; V716-D720 PolarHBondContact O-N 3.39Å; I717-D720 PolarHBondContact O-N 3.36Å; V718-D720 VanDerWaalsContact C-N 3.33Å; V718-D720 PolarHBondContact O-N 3.43Å; D720-N723 PolarHBondContact O-N 3.31Å; D720-G724 PolarHBondContact O-N 3.13Å; D720-G724 VanDerWaalsContact O-N 3.13Å; D720-T725 VanDerWaalsContact CA-OG1 3.31Å; D720-T725 WeakPolarHBondContact CA-OG1 3.23Å; D720-T725 WeakPolarHBondContact CB-OG1 3.47Å; D720-T725 PolarHBondContact O-N 3.31Å; D720-T725 PolarHBondContact O-OG1 3.48Å; D720-L726 HydrophobicContact CB-CB 4.08Å; D720-L726 PolarHBondContact O-N 3.06Å
721	L	97.7	Very high	96.8	Very high	7 Å²	7	45 Å²	45	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-45.5	168.1	-74.4	165	0	0	0	112	F680 L698 I717 N723 G724 L726 V731	F680-L721 HydrophobicContact CD1-CD1 4.17Å; F680-L721 HydrophobicContact CD2-CB 4.34Å; F680-L721 HydrophobicContact CD2-CD1 4.27Å; F680-L721 HydrophobicContact CE1-CD1 3.87Å; F680-L721 HydrophobicContact CE1-CD2 4.41Å; F680-L721 HydrophobicContact CE2-CB 3.5Å; F680-L721 VanDerWaalsContact CE2-CB 3.5Å; F680-L721 HydrophobicContact CE2-CD1 3.96Å; F680-L721 HydrophobicContact CE2-CG 4.26Å; F680-L721 HydrophobicContact CG-CD1 4.38Å; F680-L721 HydrophobicContact CZ-CB 3.64Å; F680-L721 HydrophobicContact CZ-CD1 3.76Å; F680-L721 HydrophobicContact CZ-CD2 4.02Å; F680-L721 HydrophobicContact CZ-CG 4.03Å; L698-L721 HydrophobicContact CD2-CD1 4.23Å; I717-L721 HydrophobicContact CG2-CD1 3.99Å; I717-L721 WeakPolarHBondContact O-CG 3.49Å; I717-L721 PolarHBondContact O-N 3.4Å; L721-N723 VanDerWaalsContact C-N 3.29Å; L721-N723 PolarHBondContact O-N 2.83Å; L721-G724 PolarHBondContact O-N 2.96Å; L721-G724 VanDerWaalsContact O-N 3.1Å; L721-L726 HydrophobicContact CD2-CB 4.4Å; L721-L726 HydrophobicContact CD2-CG 4.38Å; L721-L726 HydrophobicContact CG-CB 4.5Å; L721-L726 HydrophobicContact CG-CD2 4.38Å; L721-V731 HydrophobicContact CD1-CG2 4.15Å; L721-V731 HydrophobicContact CD2-CG2 3.92Å; L721-V731 HydrophobicContact CG-CG2 4.21Å
722	A	96.8	Very high	96.7	Very high	7 Å²	7	46.5 Å²	46.5	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-31.9	179.9	0	0	0	0	0	112.9	T622 K627 V718 R719 G724	T622-A722 VanDerWaalsContact CA-O 3.29Å; T622-A722 WeakPolarHBondContact CA-O 3.45Å; T622-A722 WeakPolarHBondContact CG2-O 3.48Å; T622-A722 PolarHBondContact N-O 3.06Å; K627-A722 HydrophobicContact CB-CB 3.97Å; K627-A722 HydrophobicContact CD-CB 3.91Å; K627-A722 HydrophobicContact CG-CB 3.71Å; V718-A722 VanDerWaalsContact O-CB 3.24Å; V718-A722 WeakPolarHBondContact O-CB 3.5Å; V718-A722 PolarHBondContact O-N 2.84Å; R719-A722 PolarHBondContact O-N 3.45Å; A722-G724 VanDerWaalsContact C-N 3.29Å
723	N	94.2	Very high	96.7	Very high	104 Å²	104	46 Å²	46	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-81.7	-9.3	175.3	-69.2	-23.4	0	0	0	113	R719 D720 L721 T725	R719-N723 WeakPolarHBondContact O-CB 3.41Å; R719-N723 VanDerWaalsContact O-CG 3.25Å; R719-N723 PolarHBondContact O-N 3.08Å; R719-N723 PolarHBondContact O-ND2 2.95Å; D720-N723 PolarHBondContact O-N 3.31Å; L721-N723 VanDerWaalsContact C-N 3.29Å; L721-N723 PolarHBondContact O-N 2.83Å; N723-T725 VanDerWaalsContact C-N 3.27Å; N723-T725 HydrophobicContact CB-CG2 4.27Å; N723-T725 PolarHBondContact O-N 3.11Å
724	G	92.7	Very high	96.7	Very high	53 Å²	53	47.3 Å²	47.3	55%	0.546	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	18.7	-176.4	0	0	0	0	0	113.8	D720 L721 A722 L726	D720-G724 PolarHBondContact O-N 3.13Å; D720-G724 VanDerWaalsContact O-N 3.13Å; L721-G724 PolarHBondContact O-N 2.96Å; L721-G724 VanDerWaalsContact O-N 3.1Å; A722-G724 VanDerWaalsContact C-N 3.29Å; G724-L726 VanDerWaalsContact C-N 3.32Å
725	T	94.7	Very high	96.6	Very high	100 Å²	100	50 Å²	50	61%	0.613	29%	0.286	S	S	*	.	S	Bend	trans	-84.3	-14	173.5	56.2	0	0	0	0	112.3	D720 N723	D720-T725 VanDerWaalsContact CA-OG1 3.31Å; D720-T725 WeakPolarHBondContact CA-OG1 3.23Å; D720-T725 WeakPolarHBondContact CB-OG1 3.47Å; D720-T725 PolarHBondContact O-N 3.31Å; D720-T725 PolarHBondContact O-OG1 3.48Å; N723-T725 VanDerWaalsContact C-N 3.27Å; N723-T725 HydrophobicContact CB-CG2 4.27Å; N723-T725 PolarHBondContact O-N 3.11Å
726	L	95.6	Very high	96.5	Very high	27 Å²	27	54 Å²	54	14%	0.141	31%	0.312	C	S	.	.	S	Bend	trans	-133.1	145.6	175.6	-169.5	66.1	0	0	0	108.8	I717 D720 L721 G724 E730 V731	I717-L726 HydrophobicContact CG2-CD2 4.19Å; D720-L726 HydrophobicContact CB-CB 4.08Å; D720-L726 PolarHBondContact O-N 3.06Å; L721-L726 HydrophobicContact CD2-CB 4.4Å; L721-L726 HydrophobicContact CD2-CG 4.38Å; L721-L726 HydrophobicContact CG-CB 4.5Å; L721-L726 HydrophobicContact CG-CD2 4.38Å; G724-L726 VanDerWaalsContact C-N 3.32Å; L726-E730 HydrophobicContact CD1-CB 3.66Å; L726-E730 HydrophobicContact CG-CB 4.46Å; L726-V731 HydrophobicContact CD2-CG2 3.38Å; L726-V731 HydrophobicContact CG-CG2 3.83Å
727	T	96.5	Very high	96.3	Very high	71 Å²	71	55.4 Å²	55.4	44%	0.436	32%	0.317	S	S	.	.			trans	-107.8	158.9	174.4	65.8	0	0	0	0	111.4	A729 E730 V731	T727-A729 VanDerWaalsContact C-N 3.27Å; T727-A729 PolarHBondContact O-N 3.09Å; T727-E730 WeakPolarHBondContact CB-OE2 3.46Å; T727-E730 PolarHBondContact N-OE2 3Å; T727-E730 PolarHBondContact O-N 2.52Å; T727-E730 VanDerWaalsContact OG1-CD 3.3Å; T727-E730 VanDerWaalsContact OG1-CG 3.3Å; T727-E730 WeakPolarHBondContact OG1-CG 3.19Å; T727-E730 PolarHBondContact OG1-N 3.26Å; T727-E730 PolarHBondContact OG1-OE2 3.22Å; T727-V731 PolarHBondContact O-N 3.41Å; T727-V731 VanDerWaalsContact O-N 3.08Å
728	W	97.2	Very high	96.1	Very high	35 Å²	35	57.5 Å²	57.5	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-36.4	176.4	-175.1	-109	0	0	0	112.8	F680 L698 D700 R705 I707 E730 V731 E732	F680-W728 HydrophobicContact CD1-CE3 4.42Å; F680-W728 HydrophobicContact CD1-CZ3 4.43Å; F680-W728 HydrophobicContact CE1-CE3 4.14Å; L698-W728 HydrophobicContact CD2-CZ3 4Å; L698-W728 HydrophobicContact CG-CH2 4.35Å; L698-W728 HydrophobicContact CG-CZ3 4.04Å; L698-W728 WeakPolarHBondContact O-CH2 3.43Å; D700-W728 HydrophobicContact CB-CD2 3.47Å; D700-W728 VanDerWaalsContact CB-CD2 3.47Å; D700-W728 HydrophobicContact CB-CE3 3.83Å; D700-W728 HydrophobicContact CB-CG 3.98Å; D700-W728 HydrophobicContact CB-CH2 3.94Å; D700-W728 HydrophobicContact CB-CZ2 3.59Å; D700-W728 HydrophobicContact CB-CZ3 4.04Å; R705-W728 WeakPolarHBondContact O-CZ2 3.34Å; I707-W728 HydrophobicContact CG1-CH2 4.11Å; I707-W728 HydrophobicContact CG2-CH2 4.49Å; I707-W728 HydrophobicContact CG2-CZ2 4.43Å; W728-E730 VanDerWaalsContact C-N 3.33Å; W728-E730 PolarHBondContact O-N 3.19Å; W728-V731 HydrophobicContact CE3-CB 4.23Å; W728-V731 HydrophobicContact CE3-CG1 4.11Å; W728-V731 HydrophobicContact CH2-CG1 4.42Å; W728-V731 HydrophobicContact CZ3-CG1 3.91Å; W728-V731 WeakPolarHBondContact O-CB 3.16Å; W728-V731 PolarHBondContact O-N 3.09Å; W728-E732 HydrophobicContact CZ2-CG 4.3Å; W728-E732 VanDerWaalsContact NE1-CD 3.34Å; W728-E732 PolarHBondContact NE1-OE1 2.93Å; W728-E732 PolarHBondContact O-N 3.18Å
729	A	96.4	Very high	95.6	Very high	69 Å²	69	66.8 Å²	66.8	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-62.4	-39.8	176.7	0	0	0	0	0	112.2	T727 E732 S733	T727-A729 VanDerWaalsContact C-N 3.27Å; T727-A729 PolarHBondContact O-N 3.09Å; A729-E732 PolarHBondContact O-N 2.91Å; A729-S733 PolarHBondContact O-N 3.15Å; A729-S733 VanDerWaalsContact O-N 3.11Å
730	E	96.5	Very high	94.9	Very high	84 Å²	84	64.8 Å²	64.8	39%	0.393	37%	0.373	S	S	.	.	H	α-helix	trans	-66.7	-39.7	174.5	-70.6	163.6	135.3	0	0	111.4	L726 T727 W728 S733 Q734	L726-E730 HydrophobicContact CD1-CB 3.66Å; L726-E730 HydrophobicContact CG-CB 4.46Å; T727-E730 WeakPolarHBondContact CB-OE2 3.46Å; T727-E730 PolarHBondContact N-OE2 3Å; T727-E730 PolarHBondContact O-N 2.52Å; T727-E730 VanDerWaalsContact OG1-CD 3.3Å; T727-E730 VanDerWaalsContact OG1-CG 3.3Å; T727-E730 WeakPolarHBondContact OG1-CG 3.19Å; T727-E730 PolarHBondContact OG1-N 3.26Å; T727-E730 PolarHBondContact OG1-OE2 3.22Å; W728-E730 VanDerWaalsContact C-N 3.33Å; W728-E730 PolarHBondContact O-N 3.19Å; E730-S733 PolarHBondContact O-N 3.01Å; E730-S733 PolarHBondContact O-OG 3.25Å; E730-Q734 VanDerWaalsContact O-CG 3.3Å; E730-Q734 WeakPolarHBondContact O-CG 3.23Å; E730-Q734 PolarHBondContact O-N 3.24Å
731	V	96.9	Very high	94.2	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-59.5	-47.4	174.1	170.6	0	0	0	0	111.4	I707 I717 L721 L726 T727 W728 S733 Q734 Y735	I707-V731 HydrophobicContact CD1-CG1 4.37Å; I707-V731 HydrophobicContact CG1-CG1 3.74Å; I707-V731 HydrophobicContact CG2-CG1 4.49Å; I717-V731 HydrophobicContact CG2-CG2 4.01Å; L721-V731 HydrophobicContact CD1-CG2 4.15Å; L721-V731 HydrophobicContact CD2-CG2 3.92Å; L721-V731 HydrophobicContact CG-CG2 4.21Å; L726-V731 HydrophobicContact CD2-CG2 3.38Å; L726-V731 HydrophobicContact CG-CG2 3.83Å; T727-V731 PolarHBondContact O-N 3.41Å; T727-V731 VanDerWaalsContact O-N 3.08Å; W728-V731 HydrophobicContact CE3-CB 4.23Å; W728-V731 HydrophobicContact CE3-CG1 4.11Å; W728-V731 HydrophobicContact CH2-CG1 4.42Å; W728-V731 HydrophobicContact CZ3-CG1 3.91Å; W728-V731 WeakPolarHBondContact O-CB 3.16Å; W728-V731 PolarHBondContact O-N 3.09Å; V731-S733 PolarHBondContact O-N 3.11Å; V731-Q734 PolarHBondContact O-N 2.91Å; V731-Q734 VanDerWaalsContact O-N 3.11Å; V731-Y735 HydrophobicContact CG1-CD2 4.09Å; V731-Y735 WeakPolarHBondContact O-CD2 3.45Å; V731-Y735 PolarHBondContact O-N 3.31Å
732	E	96.1	Very high	93.6	Very high	39 Å²	39	74.5 Å²	74.5	18%	0.182	42%	0.417	C	S	.	.	H	α-helix	trans	-62.8	-29	177.1	-71.7	-169.7	165	0	0	113.2	R705 I707 W728 A729 Q734	R705-E732 IonicContact CZ-OE1 3.83Å; R705-E732 IonicContact CZ-OE2 3.22Å; R705-E732 IonicContact NE-OE1 2.68Å; R705-E732 PolarHBondContact NE-OE1 3.36Å; R705-E732 VanDerWaalsContact NH1-CD 3.26Å; R705-E732 IonicContact NH1-OE1 2.95Å; R705-E732 PolarHBondContact NH1-OE1 3.04Å; R705-E732 IonicContact NH1-OE2 2.93Å; R705-E732 PolarHBondContact NH1-OE2 3.13Å; R705-E732 VanDerWaalsContact NH2-CD 3.26Å; R705-E732 IonicContact NH2-OE1 3.04Å; R705-E732 PolarHBondContact NH2-OE1 2.92Å; R705-E732 IonicContact NH2-OE2 2.97Å; R705-E732 PolarHBondContact NH2-OE2 2.89Å; I707-E732 HydrophobicContact CG2-CG 4.21Å; W728-E732 HydrophobicContact CZ2-CG 4.3Å; W728-E732 VanDerWaalsContact NE1-CD 3.34Å; W728-E732 PolarHBondContact NE1-OE1 2.93Å; W728-E732 PolarHBondContact O-N 3.18Å; A729-E732 PolarHBondContact O-N 2.91Å; E732-Q734 VanDerWaalsContact C-N 3.34Å
733	S	95.8	Very high	93.1	Very high	95 Å²	95	76 Å²	76	66%	0.664	43%	0.426	S	S	*	.	H	α-helix	trans	-75.6	-22.4	176.5	76.9	0	0	0	0	113.6	A729 E730 V731	A729-S733 PolarHBondContact O-N 3.15Å; A729-S733 VanDerWaalsContact O-N 3.11Å; E730-S733 PolarHBondContact O-N 3.01Å; E730-S733 PolarHBondContact O-OG 3.25Å; V731-S733 PolarHBondContact O-N 3.11Å
734	Q	96.2	Very high	92.6	Very high	117 Å²	117	74.9 Å²	74.9	55%	0.547	43%	0.426	S	S	.	.	H	α-helix	trans	-101.9	-26.1	-173.5	-69.5	174.9	34.5	0	0	113.5	E730 V731 E732	E730-Q734 VanDerWaalsContact O-CG 3.3Å; E730-Q734 WeakPolarHBondContact O-CG 3.23Å; E730-Q734 PolarHBondContact O-N 3.24Å; V731-Q734 PolarHBondContact O-N 2.91Å; V731-Q734 VanDerWaalsContact O-N 3.11Å; E732-Q734 VanDerWaalsContact C-N 3.34Å
735	Y	96.4	Very high	92	Very high	57 Å²	57	78.3 Å²	78.3	22%	0.224	43%	0.426	C	S	.	.	S	Bend	trans	-122.6	147.9	-173.1	-64	-82.8	0	0	0	112.1	I707 A709 I717 V731 I737	I707-Y735 HydrophobicContact CD1-CG 4.25Å; A709-Y735 HydrophobicContact CB-CD1 3.73Å; A709-Y735 HydrophobicContact CB-CE1 3.97Å; A709-Y735 HydrophobicContact CB-CG 4.46Å; I717-Y735 HydrophobicContact CD1-CE1 3.91Å; I717-Y735 HydrophobicContact CD1-CE2 3.79Å; I717-Y735 VanDerWaalsContact CD1-CZ 3.42Å; I717-Y735 WeakPolarHBondContact CD1-OH 3.48Å; I717-Y735 HydrophobicContact CG1-CE2 4.28Å; V731-Y735 HydrophobicContact CG1-CD2 4.09Å; V731-Y735 WeakPolarHBondContact O-CD2 3.45Å; V731-Y735 PolarHBondContact O-N 3.31Å; Y735-I737 PolarHBondContact O-N 2.95Å
736	P	95.4	Very high	90.8	Very high	86 Å²	86	79.9 Å²	79.9	56%	0.558	42%	0.424	S	S	*	.			trans	-64.8	132.7	-179.2	26.8	-34.6	0	0	0	111.3	I707 R708	I707-P736 CarbonylContact C-O 3.5Å; I707-P736 VanDerWaalsContact CA-O 3.23Å; I707-P736 WeakPolarHBondContact CA-O 3.41Å; I707-P736 WeakPolarHBondContact CB-O 3.43Å; R708-P736 PolarHBondContact N-O 2.97Å; R708-P736 WeakPolarHBondContact O-CD 3.34Å; R708-P736 WeakPolarHBondContact O-CG 3.39Å
737	I	95.4	Very high	88.4	Confident	87 Å²	87	85.6 Å²	85.6	45%	0.446	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-66.3	138.3	173.4	-61.8	169.4	0	0	0	108.8	Y735 E739	Y735-I737 PolarHBondContact O-N 2.95Å; I737-E739 PolarHBondContact O-N 2.76Å
738	F	93.9	Very high	85.9	Confident	51 Å²	51	88.2 Å²	88.2	22%	0.224	47%	0.471	C	S	.	.			trans	-81	115.5	179.1	-179.4	-110.4	0	0	0	111.3	T697 Q706 G740 Q741	T697-F738 HydrophobicContact CG2-CB 4.28Å; T697-F738 HydrophobicContact CG2-CD1 4.1Å; T697-F738 HydrophobicContact CG2-CD2 3.53Å; T697-F738 HydrophobicContact CG2-CE1 4.29Å; T697-F738 HydrophobicContact CG2-CE2 3.73Å; T697-F738 HydrophobicContact CG2-CG 3.7Å; T697-F738 HydrophobicContact CG2-CZ 4.1Å; Q706-F738 HydrophobicContact CB-CB 3.82Å; Q706-F738 HydrophobicContact CB-CD1 4.28Å; Q706-F738 HydrophobicContact CB-CG 4.45Å; Q706-F738 PolarHBondContact O-N 2.56Å; F738-G740 WeakPolarHBondContact CE2-O 3.28Å; F738-Q741 HydrophobicContact CZ-CB 4.38Å
739	E	87.1	Confident	83.1	Confident	195 Å²	195	93.6 Å²	93.6	91%	0.911	50%	0.501	S	S	*	.			trans	-99	-11.3	178	-61.8	-172.6	164.7	0	0	113.4	I737	I737-E739 PolarHBondContact O-N 2.76Å
740	G	83.4	Confident	80.2	Confident	38 Å²	38	99.1 Å²	99.1	39%	0.392	52%	0.515	S	S	.	.			trans	150	162.6	-178.7	0	0	0	0	0	112	F738	F738-G740 WeakPolarHBondContact CE2-O 3.28Å
741	Q	84	Confident	77.2	Confident	90 Å²	90	107.5 Å²	107.5	42%	0.421	55%	0.554	S	S	.	*			trans	-79.7	145.1	172	70.6	179.5	7.7	0	0	109.9	L633 F738	L633-Q741 VanDerWaalsContact CD2-OE1 3.29Å; F738-Q741 HydrophobicContact CZ-CB 4.38Å
742	E	84.9	Confident	76.2	Confident	160 Å²	160	112.9 Å²	112.9	75%	0.748	58%	0.581	S	S	*	*			trans	-100.6	-23.1	178.3	-63.8	173.6	-163.8	0	0	113.2	D687 K691	D687-E742 PolarHBondContact OD1-N 2.98Å; D687-E742 PolarHBondContact OD2-N 2.9Å; K691-E742 WeakPolarHBondContact CE-OE2 3.22Å; K691-E742 IonicContact NZ-OE1 2.84Å; K691-E742 IonicContact NZ-OE2 2.82Å; K691-E742 PolarHBondContact NZ-OE2 2.95Å
743	T	85.4	Confident	75.2	Confident	39 Å²	39	116.7 Å²	116.7	24%	0.239	60%	0.602	C	S	.	*			trans	-111.2	154.3	-179.9	70.3	0	0	0	0	112.1	F686 D687 N690 K691	F686-T743 WeakPolarHBondContact CB-O 3.45Å; F686-T743 PolarHBondContact O-OG1 2.9Å; D687-T743 WeakPolarHBondContact CA-OG1 3.32Å; D687-T743 PolarHBondContact N-OG1 2.69Å; D687-T743 WeakPolarHBondContact OD1-CA 3.43Å; D687-T743 WeakPolarHBondContact OD1-CB 3.38Å; D687-T743 WeakPolarHBondContact OD1-CG2 3.44Å; D687-T743 PolarHBondContact OD1-N 2.9Å; D687-T743 PolarHBondContact OD1-OG1 3.42Å; N690-T743 HydrophobicContact CB-CG2 4.11Å; N690-T743 PolarHBondContact ND2-OG1 3.4Å; K691-T743 HydrophobicContact CG-CG2 4.41Å
744	S	84.3	Confident	74	Confident	80 Å²	80	117.9 Å²	117.9	56%	0.559	60%	0.599	S	S	*	*			trans	-117.4	-176.2	173.5	60.5	0	0	0	0	110.4	N690 K746	N690-S744 PolarHBondContact ND2-O 3.48Å; S744-K746 PolarHBondContact O-N 3.23Å; S744-K746 VanDerWaalsContact O-N 3.13Å
745	K	79.5	Confident	72.7	Confident	124 Å²	124	118 Å²	118	54%	0.539	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-51.3	123.6	166.9	-165	178.3	179.9	-172	0	108.3	F686 D747	F686-K745 HydrophobicContact CD1-CB 4.37Å; F686-K745 HydrophobicContact CE1-CB 3.61Å; F686-K745 HydrophobicContact CE1-CG 3.93Å; F686-K745 HydrophobicContact CE2-CB 4.39Å; F686-K745 HydrophobicContact CZ-CB 3.63Å; F686-K745 HydrophobicContact CZ-CG 4.17Å; K745-D747 PolarHBondContact O-N 3.31Å
746	K	69.1	Low	71.3	Confident	134 Å²	134	121.8 Å²	121.8	58%	0.583	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-66.7	123.9	169	-76.1	-180	178.1	169.8	0	106.4	N690 S744 T748	N690-K746 WeakPolarHBondContact OD1-CD 3.39Å; N690-K746 WeakPolarHBondContact OD1-CE 3.29Å; S744-K746 PolarHBondContact O-N 3.23Å; S744-K746 VanDerWaalsContact O-N 3.13Å; K746-T748 PolarHBondContact O-N 3.01Å; K746-T748 VanDerWaalsContact O-N 3.1Å
747	D	46.3	Very low	69.6	Low	146 Å²	146	124.2 Å²	124.2	78%	0.781	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-60.5	116.2	164.2	-71.2	-37.4	0	0	0	105.8	K745 I749	K745-D747 PolarHBondContact O-N 3.31Å; D747-I749 VanDerWaalsContact C-N 3.26Å; D747-I749 PolarHBondContact O-N 3.44Å
748	T	43.4	Very low	67.8	Low	126 Å²	126	126.9 Å²	126.9	77%	0.773	64%	0.643	S	S	*	*			trans	-56.5	98.4	166.6	23.1	0	0	0	0	106.6	K746 E750	K746-T748 PolarHBondContact O-N 3.01Å; K746-T748 VanDerWaalsContact O-N 3.1Å; T748-E750 VanDerWaalsContact C-N 3.32Å; T748-E750 PolarHBondContact O-N 2.88Å; T748-E750 VanDerWaalsContact O-N 3.1Å
749	I	38.2	Very low	65.8	Low	148 Å²	148	132.7 Å²	132.7	76%	0.759	68%	0.676	S	S	*	*			trans	-65.9	104.8	157.1	-61.3	174.8	0	0	0	103.3	D747 E751	D747-I749 VanDerWaalsContact C-N 3.26Å; D747-I749 PolarHBondContact O-N 3.44Å; I749-E751 PolarHBondContact O-N 3.12Å; I749-E751 VanDerWaalsContact O-N 3.08Å
750	E	36.9	Very low	64	Low	185 Å²	185	127.5 Å²	127.5	86%	0.864	66%	0.656	S	S	*	*			trans	-56.1	108.4	164.3	-72.6	178.7	156.1	0	0	106.9	T748	T748-E750 VanDerWaalsContact C-N 3.32Å; T748-E750 PolarHBondContact O-N 2.88Å; T748-E750 VanDerWaalsContact O-N 3.1Å
751	E	32.8	Very low	62.3	Low	260 Å²	260	135.6 Å²	135.6	100%	1.215	68%	0.68	S	S	*	*			trans	-92.6	0	157.6	-88.2	-170	162.5	0	0	109.8	I749	I749-E751 PolarHBondContact O-N 3.12Å; I749-E751 VanDerWaalsContact O-N 3.08Å

Retrieved 751 of 751 residues in 241.8 ms (Link to these results)

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