A0A077ZAQ1_TRITR Loading...

DNA (Apurinic or apyrimidinic site) lyase

AlphaFold DB , UniProt , Accession A0A077ZAQ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 562 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	35.7	Very low	239 Å²	239	179.2 Å²	179.2	100%	1.177	90%	0.898	S	S	*	*				0	130.6	0	-74.2	170.9	169.3	0	0	107.4
2	I	37.1	Very low	35.8	Very low	167 Å²	167	178.3 Å²	178.3	86%	0.856	89%	0.889	S	S	*	*			cis	-134.3	148	-9	-82.8	166.8	0	0	0	108.6
3	R	32.2	Very low	35.5	Very low	238 Å²	238	176.8 Å²	176.8	90%	0.898	88%	0.881	S	S	*	*			trans	-58.9	151.9	-171	-72.9	167.2	157.2	158.4	-7.8	117.6
4	R	29.1	Very low	35.2	Very low	249 Å²	249	175.9 Å²	175.9	94%	0.94	88%	0.878	S	S	*	*			trans	-59.4	152.8	153.1	-69.6	174.9	168.6	170.2	-5.3	111.6
5	R	40.7	Very low	35.4	Very low	246 Å²	246	169.9 Å²	169.9	93%	0.928	87%	0.867	S	S	*	*			trans	-123.2	125.9	154.1	-87.5	-174.8	170.1	176.8	-2.8	109.9
6	R	31.1	Very low	35.3	Very low	249 Å²	249	171.4 Å²	171.4	94%	0.94	87%	0.865	S	S	*	*			trans	-103.7	151.8	155.8	-89.5	-178.1	169	174.8	-5.1	107
7	T	43.4	Very low	35.1	Very low	145 Å²	145	168.9 Å²	168.9	89%	0.89	86%	0.861	S	S	*	*			trans	-127.6	136.9	164.3	39.6	0	0	0	0	108.9
8	A	34	Very low	35.1	Very low	94 Å²	94	169.8 Å²	169.8	78%	0.777	86%	0.857	S	S	*	*			trans	-111.6	137.6	-178.5	0	0	0	0	0	107.9
9	A	35.8	Very low	35.1	Very low	102 Å²	102	171.3 Å²	171.3	84%	0.843	86%	0.858	S	S	*	*				86.6	139.3	87	0	0	0	0	0	115.2
10	S	35.9	Very low	35.2	Very low	118 Å²	118	166.3 Å²	166.3	83%	0.825	85%	0.851	S	S	*	*			trans	-162.9	150.2	138.8	61.2	0	0	0	0	112.4
11	P	39.6	Very low	35.1	Very low	124 Å²	124	167.6 Å²	167.6	81%	0.805	85%	0.851	S	S	*	*			trans	-131.9	-179.8	-171.2	44.2	-29.1	0	0	0	116
12	E	36.3	Very low	35.2	Very low	169 Å²	169	164.1 Å²	164.1	79%	0.79	83%	0.829	S	S	*	*			trans	-166	171.8	152.2	-117.2	-164.7	159.1	0	0	108.8
13	M	32.7	Very low	35	Very low	159 Å²	159	163.2 Å²	163.2	78%	0.783	82%	0.821	S	S	*	*			cis	-128.1	-175.1	2.9	-84.3	-159.2	167.7	0	0	111.7
14	I	31	Very low	35.1	Very low	163 Å²	163	155.9 Å²	155.9	84%	0.836	81%	0.812	S	S	*	*			trans	-144.5	141.8	-170.8	-65.6	168.9	0	0	0	112.6
15	A	38.5	Very low	35.4	Very low	87 Å²	87	149.4 Å²	149.4	72%	0.719	81%	0.805	S	S	*	*			trans	-171.9	111.6	145.7	0	0	0	0	0	112.9
16	K	33.7	Very low	35.1	Very low	193 Å²	193	146.4 Å²	146.4	84%	0.839	80%	0.798	S	S	*	*				67.9	132.2	99.4	-68.9	173.7	-179	166.6	0	115.2
17	V	32.2	Very low	35.3	Very low	130 Å²	130	141.6 Å²	141.6	79%	0.788	79%	0.791	S	S	*	*				-161.7	123.5	61.5	170.2	0	0	0	0	110.3
18	K	34.9	Very low	34.8	Very low	184 Å²	184	138.8 Å²	138.8	80%	0.8	78%	0.778	S	S	*	*				45.3	144.1	105.9	-68.5	-179.4	178.3	174.7	0	117.5
19	K	35.2	Very low	34.7	Very low	199 Å²	199	141.2 Å²	141.2	87%	0.865	78%	0.777	S	S	*	*			cis	-170.8	153.2	11	-131.9	-177.8	178.3	-172.9	0	113
20	G	36.7	Very low	34.4	Very low	70 Å²	70	143 Å²	143	72%	0.722	77%	0.773	S	S	*	*			trans	127.1	96.8	156	0	0	0	0	0	116
21	K	32.7	Very low	33.9	Very low	194 Å²	194	144.7 Å²	144.7	84%	0.843	77%	0.772	S	S	*	*				53.5	123.7	80.7	-78.5	-157.5	171.9	-159.7	0	114.3
22	K	35.5	Very low	33.1	Very low	167 Å²	167	146.4 Å²	146.4	73%	0.726	77%	0.769	S	S	*	*			cis	-155.6	148.1	42.1	-89.3	-175.1	160.3	-162.9	0	115.5
23	E	34.6	Very low	32.5	Very low	148 Å²	148	145.3 Å²	145.3	69%	0.692	77%	0.767	S	S	*	*			trans	44.9	139.5	133.5	-68.3	142.4	-156.7	0	0	121.8
24	A	34.2	Very low	32.1	Very low	84 Å²	84	142.1 Å²	142.1	69%	0.694	76%	0.756	S	S	*	*			cis	-164.9	155	4.4	0	0	0	0	0	115.6
25	S	35.1	Very low	31.7	Very low	113 Å²	113	145.5 Å²	145.5	79%	0.79	76%	0.759	S	S	*	*			trans	64.1	141.8	158	70.7	0	0	0	0	119
26	K	34.9	Very low	31	Very low	183 Å²	183	146.6 Å²	146.6	80%	0.796	76%	0.76	S	S	*	*			cis	-162.5	135.7	14.3	-128.5	168.8	-173.2	178.7	0	109.3
27	N	34.1	Very low	30.6	Very low	147 Å²	147	148.4 Å²	148.4	79%	0.786	76%	0.761	S	S	*	*			trans	57.8	154.1	161.2	-57.1	11.9	0	0	0	118.3
28	S	33.2	Very low	30.2	Very low	87 Å²	87	148.1 Å²	148.1	61%	0.608	76%	0.76	S	S	*	*			cis	-177	132.9	-26	49.8	0	0	0	0	108.9
29	D	32.9	Very low	29.9	Very low	145 Å²	145	145.3 Å²	145.3	78%	0.775	75%	0.753	S	S	*	*			cis	-154.5	151.6	-11.2	-69.1	-50.6	0	0	0	108.5
30	D	27.8	Very low	29.4	Very low	140 Å²	140	144.3 Å²	144.3	75%	0.749	75%	0.752	S	S	*	*			trans	32.8	141.7	144.3	-63	-1.9	0	0	0	123.5
31	L	25.8	Very low	29	Very low	152 Å²	152	151 Å²	151	80%	0.796	76%	0.757	S	S	*	*			cis	-164.1	141.7	0.6	-114	164.7	0	0	0	110.4
32	E	22.3	Very low	28.7	Very low	161 Å²	161	150.5 Å²	150.5	75%	0.752	76%	0.758	S	S	*	*			trans	-95.2	142.3	179.8	-173.8	-177.2	-153	0	0	112.1	V34	E32-V34 HydrophobicContact CG-CG2 4.1Å
33	I	24.8	Very low	28.3	Very low	145 Å²	145	149.1 Å²	149.1	74%	0.744	76%	0.763	S	S	*	*			trans	-134.7	107.5	163.4	-60.1	-177.4	0	0	0	109.8
34	V	23.2	Very low	28	Very low	92 Å²	92	145.7 Å²	145.7	56%	0.558	77%	0.767	S	S	*	*			trans	-88	138.3	172.1	176.5	0	0	0	0	110.4	E32	E32-V34 HydrophobicContact CG-CG2 4.1Å
35	W	23.9	Very low	27.6	Very low	235 Å²	235	151.2 Å²	151.2	89%	0.89	78%	0.776	S	S	*	*			trans	-123.6	110.7	158.4	-76.5	92.9	0	0	0	109.7
36	C	23	Very low	27.4	Very low	109 Å²	109	153.8 Å²	153.8	74%	0.736	78%	0.781	S	S	*	*			trans	-88.3	141	168	-70.1	0	0	0	0	110.2
37	R	26.4	Very low	27.2	Very low	232 Å²	232	153.7 Å²	153.7	88%	0.875	78%	0.78	S	S	*	*			trans	-133	118.7	154.6	-140.1	178.9	-166.7	172.7	3.3	109.2
38	T	23.8	Very low	27	Very low	124 Å²	124	153 Å²	153	76%	0.761	78%	0.781	S	S	*	*			trans	-95	113.8	179.2	45.7	0	0	0	0	109.4
39	D	28.3	Very low	26.9	Very low	124 Å²	124	156.6 Å²	156.6	66%	0.663	79%	0.792	S	S	*	*			trans	-114.2	103.3	163.9	-65.4	-33.8	0	0	0	107.8
40	Q	25.2	Very low	26.7	Very low	179 Å²	179	156.9 Å²	156.9	84%	0.836	79%	0.793	S	S	*	*			trans	-76.6	140.9	170.1	-70.2	-175.6	-48.2	0	0	109.4
41	Y	27	Very low	27	Very low	210 Å²	210	155.4 Å²	155.4	82%	0.824	79%	0.794	S	S	*	*			trans	-118.2	105.5	163.3	-73.7	-80	0	0	0	109
42	E	25.9	Very low	27.2	Very low	184 Å²	184	152.6 Å²	152.6	86%	0.86	79%	0.787	S	S	*	*			trans	-72.4	128.5	166.5	-71	-170.4	127	0	0	109.8	G44	E42-G44 PolarHBondContact O-N 3.42Å
43	V	27.1	Very low	27.6	Very low	138 Å²	138	153 Å²	153	84%	0.836	79%	0.789	S	S	*	*			trans	-83.6	91.7	168.5	-179.4	0	0	0	0	107.8	K45	V43-K45 PolarHBondContact O-N 3.3Å; V43-K45 VanDerWaalsContact O-N 3.11Å
44	G	29.2	Very low	27.9	Very low	76 Å²	76	153.6 Å²	153.6	78%	0.784	79%	0.788	S	S	*	*			trans	-58.3	111.6	172.2	0	0	0	0	0	110.9	E42	E42-G44 PolarHBondContact O-N 3.42Å
45	K	26.5	Very low	28.3	Very low	200 Å²	200	155.9 Å²	155.9	87%	0.87	80%	0.797	S	S	*	*			trans	-82.9	116.8	164.5	-73.1	177.4	179.5	172.2	0	107.8	V43	V43-K45 PolarHBondContact O-N 3.3Å; V43-K45 VanDerWaalsContact O-N 3.11Å
46	D	31.1	Very low	28.4	Very low	167 Å²	167	148.8 Å²	148.8	89%	0.893	80%	0.797	S	S	*	*			trans	-111.9	142.1	161	-119.8	-33.8	0	0	0	111.2
47	K	30	Very low	28.6	Very low	181 Å²	181	147.8 Å²	147.8	79%	0.787	80%	0.797	S	S	*	*			trans	-111.7	146.5	-173.7	-78.8	-178.6	174.7	179.5	0	110.4
48	T	28.8	Very low	28.6	Very low	131 Å²	131	146.7 Å²	146.7	80%	0.804	80%	0.799	S	S	*	*			trans	64.5	139.7	163.2	46.2	0	0	0	0	114.7
49	I	32.4	Very low	28.8	Very low	164 Å²	164	146.6 Å²	146.6	84%	0.841	80%	0.798	S	S	*	*				-143.8	152.5	58.2	-76.7	157.2	0	0	0	111.7
50	N	27.7	Very low	28.6	Very low	150 Å²	150	148.3 Å²	148.3	80%	0.802	80%	0.802	S	S	*	*			trans	-79.7	145.1	175	-64	-38.7	0	0	0	112.8
51	S	35	Very low	28.7	Very low	109 Å²	109	145.1 Å²	145.1	76%	0.762	80%	0.797	S	S	*	*			trans	-172.8	127.1	130.5	56.2	0	0	0	0	114.3
52	S	30.5	Very low	28.6	Very low	94 Å²	94	143.1 Å²	143.1	66%	0.657	80%	0.799	S	S	*	*			trans	50.5	116.4	143.8	60.1	0	0	0	0	122.9
53	E	28.9	Very low	28.6	Very low	168 Å²	168	139.3 Å²	139.3	79%	0.785	78%	0.784	S	S	*	*				56.3	107.4	123.8	-59	174.1	152.4	0	0	120.8
54	H	31.8	Very low	28.6	Very low	158 Å²	158	138.6 Å²	138.6	73%	0.731	77%	0.774	S	S	*	*				179.4	147	93.7	-105.8	-60.1	0	0	0	114.9
55	N	31.2	Very low	28.4	Very low	140 Å²	140	142.3 Å²	142.3	75%	0.749	77%	0.768	S	S	*	*			trans	55.1	83.4	144.2	-58.7	-7.1	0	0	0	120.7
56	G	25.8	Very low	28.5	Very low	86 Å²	86	141.5 Å²	141.5	89%	0.887	76%	0.76	S	S	*	*				54.1	87.1	105.4	0	0	0	0	0	120
57	A	29	Very low	28.3	Very low	89 Å²	89	139.6 Å²	139.6	74%	0.736	75%	0.754	S	S	*	*			trans	-144.8	108.4	146.5	0	0	0	0	0	110.1	V59	A57-V59 PolarHBondContact O-N 3.39Å; A57-V59 VanDerWaalsContact O-N 3.1Å
58	K	25.3	Very low	28.1	Very low	208 Å²	208	133.8 Å²	133.8	90%	0.904	75%	0.746	S	S	*	*			trans	-72	99.7	168	-89.3	-175	174.5	179.9	0	108.5	E60	K58-E60 PolarHBondContact O-N 3.17Å
59	V	27.8	Very low	28	Very low	123 Å²	123	136.2 Å²	136.2	75%	0.745	75%	0.748	S	S	*	*			trans	-85.4	100.7	168.1	-177	0	0	0	0	108	A57	A57-V59 PolarHBondContact O-N 3.39Å; A57-V59 VanDerWaalsContact O-N 3.1Å
60	E	25.2	Very low	27.8	Very low	159 Å²	159	136.3 Å²	136.3	74%	0.743	75%	0.75	S	S	*	*			trans	-68.2	138.2	170.4	-65.7	-165.4	157.8	0	0	110.1	K58 I62	K58-E60 PolarHBondContact O-N 3.17Å; E60-I62 PolarHBondContact O-N 3.38Å
61	P	26.4	Very low	27.7	Very low	113 Å²	113	137.2 Å²	137.2	73%	0.734	75%	0.754	S	S	*	*			trans	-66.7	127.8	171.1	28.2	-32.4	0	0	0	109	L63	P61-L63 PolarHBondContact O-N 3.32Å
62	I	24.7	Very low	27.3	Very low	168 Å²	168	143.2 Å²	143.2	86%	0.862	76%	0.76	S	S	*	*			trans	-66.9	89.1	173.3	-60	176.6	0	0	0	108.2	E60 I64	E60-I62 PolarHBondContact O-N 3.38Å; I62-I64 PolarHBondContact O-N 3.08Å
63	L	26	Very low	27.1	Very low	104 Å²	104	144.1 Å²	144.1	55%	0.545	76%	0.762	S	S	.	*			trans	-72.7	116.3	172	-160.1	81.3	0	0	0	107.6	P61 K65	P61-L63 PolarHBondContact O-N 3.32Å; L63-K65 HydrophobicContact CD2-CG 4.12Å; L63-K65 PolarHBondContact O-N 3.18Å
64	I	27	Very low	26.9	Very low	122 Å²	122	144.8 Å²	144.8	63%	0.626	77%	0.765	S	S	*	*			trans	-66.5	88.1	165.6	-58.8	178.1	0	0	0	106.8	I62 R66	I62-I64 PolarHBondContact O-N 3.08Å; I64-R66 PolarHBondContact O-N 3.43Å; I64-R66 VanDerWaalsContact O-N 3.08Å
65	K	25.7	Very low	26.8	Very low	154 Å²	154	143.1 Å²	143.1	67%	0.67	77%	0.771	S	S	*	*			trans	-63.9	111.1	176.3	-78.9	-179.4	176.3	174.6	0	108.3	L63 V67	L63-K65 HydrophobicContact CD2-CG 4.12Å; L63-K65 PolarHBondContact O-N 3.18Å; K65-V67 VanDerWaalsContact C-N 3.33Å; K65-V67 PolarHBondContact O-N 3.07Å
66	R	27.3	Very low	26.6	Very low	183 Å²	183	141 Å²	141	69%	0.691	77%	0.772	S	S	*	*			trans	-54.9	104.4	149.8	-101.8	-174.7	179.8	-174.1	0.5	106	I64 G68	I64-R66 PolarHBondContact O-N 3.43Å; I64-R66 VanDerWaalsContact O-N 3.08Å; R66-G68 PolarHBondContact O-N 3.12Å
67	V	26.9	Very low	26.7	Very low	127 Å²	127	142 Å²	142	77%	0.77	77%	0.766	S	S	*	*			trans	-68.6	104.4	173.2	177.1	0	0	0	0	106.4	K65	K65-V67 VanDerWaalsContact C-N 3.33Å; K65-V67 PolarHBondContact O-N 3.07Å
68	G	27.9	Very low	26.6	Very low	60 Å²	60	149 Å²	149	62%	0.619	77%	0.773	S	S	*	*			trans	-63.2	153	179.2	0	0	0	0	0	112	R66 N70	R66-G68 PolarHBondContact O-N 3.12Å; G68-N70 PolarHBondContact O-N 2.83Å
69	Q	26.5	Very low	26.6	Very low	181 Å²	181	144.9 Å²	144.9	85%	0.846	77%	0.768	S	S	*	*			trans	-61.6	127.3	173.6	-67.4	151.3	-55.5	0	0	110
70	N	27.8	Very low	26.6	Very low	167 Å²	167	146.7 Å²	146.7	89%	0.893	77%	0.772	S	S	*	*			trans	-96.8	105.1	156.2	-86.2	-28.2	0	0	0	107.9	G68	G68-N70 PolarHBondContact O-N 2.83Å
71	L	24.5	Very low	26.5	Very low	168 Å²	168	146.4 Å²	146.4	88%	0.88	77%	0.774	S	S	*	*			trans	-73.7	120.7	164.2	-81.4	163.6	0	0	0	109
72	R	28.1	Very low	26.6	Very low	235 Å²	235	150 Å²	150	89%	0.887	78%	0.782	S	S	*	*			trans	-154.6	95.5	155	-113.4	175.7	-174.3	-172.4	0.5	111.5
73	T	25.1	Very low	26.5	Very low	113 Å²	113	149 Å²	149	69%	0.693	78%	0.776	S	S	*	*			trans	32	124.7	135	55.4	0	0	0	0	120.5
74	E	25.8	Very low	26.5	Very low	183 Å²	183	152 Å²	152	86%	0.855	79%	0.787	S	S	*	*			trans	59.6	113.3	140.2	-59	179.2	-174.7	0	0	118.1
75	S	29.9	Very low	26.6	Very low	123 Å²	123	157 Å²	157	86%	0.86	80%	0.799	S	S	*	*				-173.3	167.1	76.7	40.9	0	0	0	0	111.9
76	A	25.5	Very low	26.6	Very low	94 Å²	94	158.3 Å²	158.3	78%	0.777	80%	0.804	S	S	*	*			trans	-77.1	150.2	-169.6	0	0	0	0	0	114.8
77	S	28.7	Very low	26.8	Very low	107 Å²	107	159 Å²	159	75%	0.748	82%	0.815	S	S	*	*				179	129.3	113.3	41.1	0	0	0	0	116.1
78	R	26.8	Very low	26.8	Very low	237 Å²	237	160.4 Å²	160.4	89%	0.894	82%	0.815	S	S	*	*			trans	67	131.8	148.5	-65.9	178.8	174.9	176.7	-1.4	121
79	P	26.1	Very low	27.1	Very low	121 Å²	121	164.4 Å²	164.4	79%	0.786	83%	0.828	S	S	*	*			trans	-85.1	145.4	167.1	35.6	-32.4	0	0	0	111.4
80	I	26.7	Very low	27.3	Very low	162 Å²	162	161 Å²	161	83%	0.831	82%	0.82	S	S	*	*			trans	-105.8	108.8	165.3	-64.8	179.4	0	0	0	108.2
81	L	24.1	Very low	27.7	Very low	152 Å²	152	160.3 Å²	160.3	80%	0.796	82%	0.816	S	S	*	*			trans	-67.8	134.8	161.7	-81.9	155.5	0	0	0	108.9
82	Q	27.7	Very low	28.3	Very low	190 Å²	190	162.2 Å²	162.2	89%	0.888	81%	0.811	S	S	*	*			trans	-127.9	97.3	164.1	-151.6	171.8	15.4	0	0	109
83	I	23.3	Very low	28.5	Very low	146 Å²	146	157.8 Å²	157.8	75%	0.749	81%	0.805	S	S	*	*			trans	-108.7	118.4	168.6	-63.7	173.4	0	0	0	106.7
84	E	26.4	Very low	28.7	Very low	167 Å²	167	157.1 Å²	157.1	78%	0.78	81%	0.811	S	S	*	*			trans	171.4	139.6	150.7	-103.4	-174.3	-155.5	0	0	106.7
85	R	27.4	Very low	28.9	Very low	228 Å²	228	153.8 Å²	153.8	86%	0.86	81%	0.808	S	S	*	*			cis	-143.7	162.3	39.4	-114.6	164.5	-168.4	-175.7	-0.4	113.6
86	K	27.2	Very low	28.8	Very low	181 Å²	181	152.2 Å²	152.2	79%	0.787	80%	0.802	S	S	*	*			trans	-67.8	145.7	171.4	-58.5	166.5	177.6	173.1	0	111.5
87	E	30.5	Very low	28.9	Very low	198 Å²	198	154.6 Å²	154.6	93%	0.925	81%	0.807	S	S	*	*			trans	-128.9	127.2	135.6	-72.7	-164.9	149.8	0	0	109
88	M	27.6	Very low	29	Very low	155 Å²	155	154.1 Å²	154.1	76%	0.764	81%	0.809	S	S	*	*			trans	-104.8	127.2	171.3	-73.8	169.6	57.6	0	0	107.7
89	T	34.5	Very low	29.1	Very low	145 Å²	145	152 Å²	152	89%	0.89	81%	0.807	S	S	*	*			trans	-133	148.4	153.8	46.1	0	0	0	0	109.1
90	T	29.9	Very low	29.2	Very low	110 Å²	110	156 Å²	156	68%	0.675	81%	0.812	S	S	*	*			trans	-121.3	135.3	-164.9	50.5	0	0	0	0	110.9
91	D	35.9	Very low	29.4	Very low	151 Å²	151	154.2 Å²	154.2	81%	0.807	81%	0.814	S	S	*	*			trans	-165.6	124.6	143.5	-90.7	-32.2	0	0	0	106.6
92	R	36.6	Very low	29.7	Very low	209 Å²	209	155.2 Å²	155.2	79%	0.789	81%	0.812	S	S	*	*				83.1	110.9	55.7	-80.2	-166	175.2	177.2	0.5	115
93	D	32.2	Very low	29.8	Very low	142 Å²	142	153.3 Å²	153.3	76%	0.759	80%	0.803	S	S	*	*			trans	85.2	146.1	136.8	-55.8	-26.4	0	0	0	122.7
94	A	30.7	Very low	30.2	Very low	99 Å²	99	154.5 Å²	154.5	82%	0.818	81%	0.809	S	S	*	*			trans	65.8	123	167.6	0	0	0	0	0	118.7
95	S	30	Very low	30.3	Very low	112 Å²	112	151.1 Å²	151.1	78%	0.783	80%	0.803	S	S	*	*			cis	97.2	100.3	34.1	-173.6	0	0	0	0	115.3
96	A	27.8	Very low	30.6	Very low	90 Å²	90	149.2 Å²	149.2	74%	0.744	80%	0.802	S	S	*	*			trans	67.2	178.2	145	0	0	0	0	0	120.8
97	V	28.1	Very low	30.7	Very low	145 Å²	145	146.4 Å²	146.4	88%	0.879	80%	0.8	S	S	*	*			trans	81.8	128.1	176.4	-171.9	0	0	0	0	114.5
98	A	30.1	Very low	30.8	Very low	96 Å²	96	144.5 Å²	144.5	79%	0.793	79%	0.794	S	S	*	*			cis	-158.7	178.6	-8.4	0	0	0	0	0	113.6
99	K	27.9	Very low	30.8	Very low	194 Å²	194	148.9 Å²	148.9	84%	0.843	80%	0.802	S	S	*	*			trans	-98.6	169.9	-175.9	-67.9	168.9	167.2	166.9	0	114.4
100	K	28.9	Very low	30.6	Very low	203 Å²	203	145.6 Å²	145.6	88%	0.883	80%	0.797	S	S	*	*			trans	92.3	120	149.2	-70.6	174	175.3	174.5	0	120.4
101	S	30.5	Very low	30.6	Very low	125 Å²	125	147.6 Å²	147.6	87%	0.874	81%	0.809	S	S	*	*			trans	-140.4	177.5	135.9	70.9	0	0	0	0	108.8
102	K	29.7	Very low	30.2	Very low	174 Å²	174	144.5 Å²	144.5	76%	0.757	81%	0.805	S	S	*	*			trans	-163.4	150	-164.3	-160.7	-176.4	170.8	-135	0	115.3
103	Q	31.7	Very low	29.9	Very low	149 Å²	149	144.5 Å²	144.5	70%	0.696	81%	0.811	S	S	*	*			trans	71.5	145.7	169.7	-80.2	149.2	-88.1	0	0	115.4
104	I	30.7	Very low	29.8	Very low	172 Å²	172	142.9 Å²	142.9	88%	0.882	82%	0.817	S	S	*	*				-144.5	162.7	54.5	-76.1	153.7	0	0	0	112.1
105	S	27.5	Very low	29.8	Very low	95 Å²	95	148.2 Å²	148.2	66%	0.664	82%	0.822	S	S	*	*			trans	-123.2	162.8	-172	61.5	0	0	0	0	115.2
106	K	34	Very low	29.9	Very low	189 Å²	189	148.2 Å²	148.2	82%	0.822	82%	0.822	S	S	*	*			trans	109.3	119.1	149.1	-79	-175.1	175.3	178.3	0	120.2
107	T	30.2	Very low	30.4	Very low	121 Å²	121	152.9 Å²	152.9	74%	0.742	83%	0.825	S	S	*	*			trans	65.4	125.4	138	-32.1	0	0	0	0	116.8
108	I	31.9	Very low	30.7	Very low	159 Å²	159	155.8 Å²	155.8	82%	0.815	82%	0.82	S	S	*	*				-155.3	156.8	71.7	-80.4	163.3	0	0	0	111.4
109	R	28.7	Very low	31	Very low	247 Å²	247	157.6 Å²	157.6	93%	0.932	81%	0.812	S	S	*	*			trans	-65.1	145.6	179.7	-59.5	168	-179.2	156.4	-1.3	113
110	G	30.4	Very low	31.4	Very low	76 Å²	76	159.7 Å²	159.7	78%	0.784	82%	0.815	S	S	*	*			trans	179.3	99.7	167.7	0	0	0	0	0	112.9	A112	G110-A112 PolarHBondContact O-N 3.35Å
111	T	28.3	Very low	32.2	Very low	151 Å²	151	154.8 Å²	154.8	93%	0.926	79%	0.793	S	S	*	*			trans	-76.4	104.6	-177.9	43.8	0	0	0	0	112.8
112	A	29.3	Very low	33	Very low	87 Å²	87	152.5 Å²	152.5	72%	0.719	77%	0.771	S	S	*	*			trans	-170.2	145.2	150.9	0	0	0	0	0	112.4	G110	G110-A112 PolarHBondContact O-N 3.35Å
113	K	29.3	Very low	33.6	Very low	209 Å²	209	150.4 Å²	150.4	91%	0.909	76%	0.763	S	S	*	*			trans	61.6	83.5	160.3	-63.3	176.3	179.7	178.4	0	118.1
114	A	30.6	Very low	34.3	Very low	108 Å²	108	145.6 Å²	145.6	89%	0.893	75%	0.748	S	S	*	*			trans	-131.2	74	152.7	0	0	0	0	0	110.8
115	K	29.4	Very low	35.3	Very low	211 Å²	211	140.5 Å²	140.5	92%	0.917	72%	0.723	S	S	*	*			trans	-136.6	92	167.5	-86.1	-166.9	174.9	-172.8	0	109.2
116	S	32.9	Very low	36.5	Very low	112 Å²	112	139.7 Å²	139.7	78%	0.783	71%	0.709	S	S	*	*			trans	-169.6	158.1	158.9	58.8	0	0	0	0	111.1
117	K	37.2	Very low	37.3	Very low	188 Å²	188	133.2 Å²	133.2	82%	0.817	68%	0.682	S	S	*	*			trans	85	17.1	176.7	-56.2	-169.4	175.4	-173.9	0	120.2	H119	K117-H119 PolarHBondContact O-ND1 2.92Å
118	R	34.5	Very low	38.4	Very low	205 Å²	205	128.4 Å²	128.4	77%	0.774	65%	0.652	S	S	*	*	S	Bend	trans	-65.6	135.5	144.2	-136.4	-180	-166	-162.3	2.3	106.8	E126	R118-E126 IonicContact NH1-OE1 3.42Å; R118-E126 PolarHBondContact NH1-OE1 3.41Å
119	H	37.6	Very low	39.7	Very low	135 Å²	135	124.1 Å²	124.1	63%	0.625	63%	0.633	S	S	*	*			trans	-71.6	141.1	-163.5	-78.7	37.2	0	0	0	110.8	K117 K121 D122	K117-H119 PolarHBondContact O-ND1 2.92Å; H119-K121 PolarHBondContact O-N 3.38Å; H119-D122 PolarHBondContact O-N 2.94Å
120	R	37	Very low	41	Very low	237 Å²	237	118.7 Å²	118.7	89%	0.894	62%	0.618	S	S	*	*	H	α-helix	trans	-62	-16.4	-179.3	-119.5	-177.1	-176	176.1	-1.6	113.3
121	K	43.9	Very low	42	Very low	100 Å²	100	116.4 Å²	116.4	44%	0.435	59%	0.589	S	S	.	*	H	α-helix	trans	-78.8	-50.1	-178.7	-153.8	167.7	-173.1	178.8	0	111	H119 F123 A124 D125 H533 L562	H119-K121 PolarHBondContact O-N 3.38Å; K121-F123 PolarHBondContact O-N 3.2Å; K121-A124 PolarHBondContact O-N 2.92Å; K121-A124 VanDerWaalsContact O-N 3.08Å; K121-D125 PolarHBondContact O-N 3.46Å; K121-H533 PolarHBondContact NZ-NE2 3.47Å; K121-L562 WeakPolarHBondContact CE-O 3.34Å; K121-L562 PolarHBondContact NZ-O 2.91Å
122	D	48.9	Very low	43.2	Very low	77 Å²	77	111.7 Å²	111.7	41%	0.412	56%	0.558	S	S	.	*	H	α-helix	trans	-52.2	-41.4	176	-42	-17.8	0	0	0	112.3	H119 A124 D125 E126	H119-D122 PolarHBondContact O-N 2.94Å; D122-A124 PolarHBondContact O-N 2.71Å; D122-D125 PolarHBondContact O-N 3.15Å; D122-E126 WeakPolarHBondContact O-CB 3.26Å; D122-E126 WeakPolarHBondContact O-CG 3.36Å; D122-E126 PolarHBondContact O-N 3.47Å
123	F	41.8	Very low	44.7	Very low	131 Å²	131	113.4 Å²	113.4	58%	0.575	55%	0.551	S	S	*	*	H	α-helix	trans	-68.8	-29.5	-177.5	-171.3	-113.4	0	0	0	113.9	K121 I127	K121-F123 PolarHBondContact O-N 3.2Å; F123-I127 HydrophobicContact CD1-CD1 3.88Å; F123-I127 HydrophobicContact CE1-CD1 3.42Å; F123-I127 VanDerWaalsContact CE1-CD1 3.42Å; F123-I127 HydrophobicContact CE1-CG1 4.45Å; F123-I127 HydrophobicContact CE2-CD1 4.29Å; F123-I127 HydrophobicContact CG-CD1 4.49Å; F123-I127 HydrophobicContact CZ-CD1 3.66Å; F123-I127 HydrophobicContact CZ-CG1 4.36Å; F123-I127 WeakPolarHBondContact O-CG1 3.4Å; F123-I127 PolarHBondContact O-N 3.43Å; F123-I127 VanDerWaalsContact O-N 3.12Å
124	A	46.3	Very low	45.7	Very low	48 Å²	48	106.1 Å²	106.1	40%	0.397	53%	0.53	S	S	.	.	H	α-helix	trans	-73.5	-42.1	175.4	0	0	0	0	0	110.6	K121 D122 I127 I128	K121-A124 PolarHBondContact O-N 2.92Å; K121-A124 VanDerWaalsContact O-N 3.08Å; D122-A124 PolarHBondContact O-N 2.71Å; A124-I127 PolarHBondContact O-N 3.02Å; A124-I128 WeakPolarHBondContact O-CB 3.5Å; A124-I128 WeakPolarHBondContact O-CD1 3.43Å; A124-I128 WeakPolarHBondContact O-CG1 3.4Å; A124-I128 PolarHBondContact O-N 3.31Å
125	D	50.7	Low	46.5	Very low	64 Å²	64	102.2 Å²	102.2	34%	0.342	49%	0.494	S	S	.	.	H	α-helix	trans	-67.9	-37.6	175.3	-70.9	-37.4	0	0	0	111.9	K121 D122 I128 T129	K121-D125 PolarHBondContact O-N 3.46Å; D122-D125 PolarHBondContact O-N 3.15Å; D125-I128 PolarHBondContact O-N 2.96Å; D125-T129 WeakPolarHBondContact O-CB 3.36Å; D125-T129 PolarHBondContact O-N 2.86Å; D125-T129 PolarHBondContact O-OG1 2.99Å
126	E	52.9	Low	47.6	Very low	79 Å²	79	97.7 Å²	97.7	37%	0.369	48%	0.476	S	S	.	.	H	α-helix	trans	-57.2	-53.1	170.6	-78.5	174.9	166.3	0	0	110.3	R118 D122 I128 T129 E130	R118-E126 IonicContact NH1-OE1 3.42Å; R118-E126 PolarHBondContact NH1-OE1 3.41Å; D122-E126 WeakPolarHBondContact O-CB 3.26Å; D122-E126 WeakPolarHBondContact O-CG 3.36Å; D122-E126 PolarHBondContact O-N 3.47Å; E126-I128 PolarHBondContact O-N 2.9Å; E126-T129 PolarHBondContact O-N 2.79Å; E126-E130 WeakPolarHBondContact O-CG 3.4Å; E126-E130 PolarHBondContact O-N 3.39Å
127	I	51.3	Low	48.6	Very low	53 Å²	53	95.4 Å²	95.4	27%	0.272	46%	0.464	S	S	.	.	H	α-helix	trans	-61.4	-44.6	178.1	-72.2	171.1	0	0	0	112.1	F123 A124 T129 E130 V131	F123-I127 HydrophobicContact CD1-CD1 3.88Å; F123-I127 HydrophobicContact CE1-CD1 3.42Å; F123-I127 VanDerWaalsContact CE1-CD1 3.42Å; F123-I127 HydrophobicContact CE1-CG1 4.45Å; F123-I127 HydrophobicContact CE2-CD1 4.29Å; F123-I127 HydrophobicContact CG-CD1 4.49Å; F123-I127 HydrophobicContact CZ-CD1 3.66Å; F123-I127 HydrophobicContact CZ-CG1 4.36Å; F123-I127 WeakPolarHBondContact O-CG1 3.4Å; F123-I127 PolarHBondContact O-N 3.43Å; F123-I127 VanDerWaalsContact O-N 3.12Å; A124-I127 PolarHBondContact O-N 3.02Å; I127-T129 VanDerWaalsContact C-N 3.25Å; I127-T129 PolarHBondContact O-N 3.04Å; I127-E130 PolarHBondContact O-N 2.87Å; I127-V131 HydrophobicContact CG2-CG2 4.3Å; I127-V131 WeakPolarHBondContact O-CB 3.33Å; I127-V131 VanDerWaalsContact O-CG2 3.26Å; I127-V131 WeakPolarHBondContact O-CG2 3.22Å; I127-V131 PolarHBondContact O-N 3.36Å
128	I	52.8	Low	48.9	Very low	20 Å²	20	92.9 Å²	92.9	10%	0.103	46%	0.46	C	S	.	.	H	α-helix	trans	-60.4	-40.1	178.3	-73.5	166.3	0	0	0	110.1	A124 D125 E126 I132 K243 L246 R247	A124-I128 WeakPolarHBondContact O-CB 3.5Å; A124-I128 WeakPolarHBondContact O-CD1 3.43Å; A124-I128 WeakPolarHBondContact O-CG1 3.4Å; A124-I128 PolarHBondContact O-N 3.31Å; D125-I128 PolarHBondContact O-N 2.96Å; E126-I128 PolarHBondContact O-N 2.9Å; I128-I132 HydrophobicContact CG2-CD1 3.7Å; I128-I132 WeakPolarHBondContact O-CB 3.34Å; I128-I132 WeakPolarHBondContact O-CD1 3.4Å; I128-I132 WeakPolarHBondContact O-CG1 3.34Å; I128-I132 PolarHBondContact O-N 2.88Å; I128-K243 HydrophobicContact CG2-CG 4.04Å; I128-L246 HydrophobicContact CG1-CD1 4.38Å; I128-R247 HydrophobicContact CD1-CG 4.42Å
129	T	59.5	Low	49.4	Very low	68 Å²	68	88.8 Å²	88.8	42%	0.417	45%	0.447	S	S	.	.	H	α-helix	trans	-67.6	-50	178.2	-55.1	0	0	0	0	111.4	D125 E126 I127 V131 I132 E133	D125-T129 WeakPolarHBondContact O-CB 3.36Å; D125-T129 PolarHBondContact O-N 2.86Å; D125-T129 PolarHBondContact O-OG1 2.99Å; E126-T129 PolarHBondContact O-N 2.79Å; I127-T129 VanDerWaalsContact C-N 3.25Å; I127-T129 PolarHBondContact O-N 3.04Å; T129-V131 VanDerWaalsContact C-N 3.28Å; T129-V131 PolarHBondContact O-N 3.35Å; T129-I132 PolarHBondContact O-N 3.41Å; T129-I132 VanDerWaalsContact O-N 3.15Å; T129-E133 HydrophobicContact CG2-CG 4.43Å; T129-E133 WeakPolarHBondContact O-CG 3.32Å; T129-E133 PolarHBondContact O-N 3.04Å
130	E	57.2	Low	49.4	Very low	134 Å²	134	86.4 Å²	86.4	63%	0.626	45%	0.446	S	S	*	.	H	α-helix	trans	-57	-40.8	176.6	-73.1	-177.6	175.5	0	0	112.1	E126 I127 A134	E126-E130 WeakPolarHBondContact O-CG 3.4Å; E126-E130 PolarHBondContact O-N 3.39Å; I127-E130 PolarHBondContact O-N 2.87Å; E130-A134 WeakPolarHBondContact O-CB 3.35Å; E130-A134 PolarHBondContact O-N 3.18Å
131	V	50.1	Low	49.2	Very low	27 Å²	27	81.1 Å²	81.1	16%	0.164	44%	0.44	C	S	.	.	H	α-helix	trans	-64.5	-47.3	175.9	165.5	0	0	0	0	111.3	I127 T129 E133 A134 V135 L214 L246	I127-V131 HydrophobicContact CG2-CG2 4.3Å; I127-V131 WeakPolarHBondContact O-CB 3.33Å; I127-V131 VanDerWaalsContact O-CG2 3.26Å; I127-V131 WeakPolarHBondContact O-CG2 3.22Å; I127-V131 PolarHBondContact O-N 3.36Å; T129-V131 VanDerWaalsContact C-N 3.28Å; T129-V131 PolarHBondContact O-N 3.35Å; V131-E133 VanDerWaalsContact C-N 3.34Å; V131-E133 PolarHBondContact O-N 2.95Å; V131-A134 PolarHBondContact O-N 3.13Å; V131-V135 WeakPolarHBondContact O-CG2 3.18Å; V131-V135 PolarHBondContact O-N 3.2Å; V131-L214 HydrophobicContact CG1-CD1 3.71Å; V131-L214 HydrophobicContact CG1-CD2 3.73Å; V131-L214 HydrophobicContact CG1-CG 4.19Å; V131-L214 HydrophobicContact CG2-CD2 4.07Å; V131-L246 HydrophobicContact CG1-CD1 4.47Å
132	I	54.2	Low	48.8	Very low	52 Å²	52	81.7 Å²	81.7	27%	0.267	45%	0.454	S	S	.	.	H	α-helix	trans	-62.8	-41	178.4	-73	169.7	0	0	0	110.8	I128 T129 V135 H136 K243	I128-I132 HydrophobicContact CG2-CD1 3.7Å; I128-I132 WeakPolarHBondContact O-CB 3.34Å; I128-I132 WeakPolarHBondContact O-CD1 3.4Å; I128-I132 WeakPolarHBondContact O-CG1 3.34Å; I128-I132 PolarHBondContact O-N 2.88Å; T129-I132 PolarHBondContact O-N 3.41Å; T129-I132 VanDerWaalsContact O-N 3.15Å; I132-V135 PolarHBondContact O-N 3.06Å; I132-H136 PolarHBondContact O-N 3.41Å; I132-H136 PolarHBondContact O-ND1 3.18Å; I132-K243 HydrophobicContact CD1-CG 4.48Å
133	E	61.8	Low	48.1	Very low	124 Å²	124	83.8 Å²	83.8	58%	0.579	48%	0.475	S	S	*	.	H	α-helix	trans	-65.1	-44.6	176.7	-73.1	-179.1	174.4	0	0	111.9	T129 V131 V135 H136 A137	T129-E133 HydrophobicContact CG2-CG 4.43Å; T129-E133 WeakPolarHBondContact O-CG 3.32Å; T129-E133 PolarHBondContact O-N 3.04Å; V131-E133 VanDerWaalsContact C-N 3.34Å; V131-E133 PolarHBondContact O-N 2.95Å; E133-V135 VanDerWaalsContact C-N 3.28Å; E133-V135 PolarHBondContact O-N 3.25Å; E133-H136 PolarHBondContact O-N 2.91Å; E133-A137 WeakPolarHBondContact O-CB 2.91Å; E133-A137 PolarHBondContact O-N 2.72Å
134	A	50.5	Low	47.8	Very low	56 Å²	56	84.9 Å²	84.9	46%	0.463	49%	0.486	S	S	.	.	H	α-helix	trans	-63.2	-32.1	176.5	0	0	0	0	0	113.2	E130 V131 N138	E130-A134 WeakPolarHBondContact O-CB 3.35Å; E130-A134 PolarHBondContact O-N 3.18Å; V131-A134 PolarHBondContact O-N 3.13Å; A134-N138 PolarHBondContact O-ND2 3.48Å
135	V	46.4	Very low	47.4	Very low	25 Å²	25	88.3 Å²	88.3	15%	0.152	51%	0.507	C	S	.	.	H	α-helix	trans	-70.2	-42.3	173.1	167.7	0	0	0	0	111.5	V131 I132 E133 L206 L214	V131-V135 WeakPolarHBondContact O-CG2 3.18Å; V131-V135 PolarHBondContact O-N 3.2Å; I132-V135 PolarHBondContact O-N 3.06Å; E133-V135 VanDerWaalsContact C-N 3.28Å; E133-V135 PolarHBondContact O-N 3.25Å; V135-L206 HydrophobicContact CB-CD2 4.49Å; V135-L206 HydrophobicContact CG1-CD1 3.7Å; V135-L206 HydrophobicContact CG1-CD2 3.68Å; V135-L206 HydrophobicContact CG1-CG 4.34Å; V135-L206 HydrophobicContact CG2-CD2 3.92Å; V135-L214 HydrophobicContact CG2-CD1 4.11Å
136	H	52.8	Low	46.5	Very low	117 Å²	117	94.6 Å²	94.6	54%	0.542	54%	0.535	S	S	.	.	H	α-helix	trans	-71.2	-39.6	178.5	-75	98	0	0	0	113.2	I132 E133 N138 K139	I132-H136 PolarHBondContact O-N 3.41Å; I132-H136 PolarHBondContact O-ND1 3.18Å; E133-H136 PolarHBondContact O-N 2.91Å; H136-N138 PolarHBondContact O-N 3.38Å; H136-N138 VanDerWaalsContact O-N 3.13Å; H136-K139 PolarHBondContact O-N 3.17Å
137	A	53.4	Low	45.6	Very low	64 Å²	64	95 Å²	95	53%	0.529	55%	0.552	S	S	.	*	H	α-helix	trans	-60.2	-24.1	179.4	0	0	0	0	0	113.6	E133 S140	E133-A137 WeakPolarHBondContact O-CB 2.91Å; E133-A137 PolarHBondContact O-N 2.72Å; A137-S140 PolarHBondContact O-OG 2.86Å
138	N	43.7	Very low	44.6	Very low	135 Å²	135	97.3 Å²	97.3	72%	0.722	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-0.4	176	-77.5	-73.9	0	0	0	114.3	A134 H136	A134-N138 PolarHBondContact O-ND2 3.48Å; H136-N138 PolarHBondContact O-N 3.38Å; H136-N138 VanDerWaalsContact O-N 3.13Å
139	K	45.5	Very low	43.5	Very low	118 Å²	118	105.6 Å²	105.6	51%	0.513	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.3	-8	171.3	-69.6	-165.8	176	-168	0	113.4	H136 E203	H136-K139 PolarHBondContact O-N 3.17Å; K139-E203 PolarHBondContact NZ-O 2.95Å; K139-E203 VanDerWaalsContact NZ-O 3.15Å
140	S	37.2	Very low	42.1	Very low	86 Å²	86	106.1 Å²	106.1	60%	0.601	63%	0.632	S	S	*	*			trans	-105.7	73.3	-178.4	56	0	0	0	0	112.9	A137	A137-S140 PolarHBondContact O-OG 2.86Å
141	V	33.3	Very low	40.7	Very low	125 Å²	125	106.4 Å²	106.4	76%	0.758	64%	0.643	S	S	*	*			trans	-130.8	107.2	164.8	-177.6	0	0	0	0	109
142	P	34.3	Very low	39.8	Very low	113 Å²	113	109.9 Å²	109.9	73%	0.734	67%	0.674	S	S	*	*			trans	-81.2	122.6	178.4	31	-31.8	0	0	0	111	N144	P142-N144 PolarHBondContact O-N 2.89Å; P142-N144 VanDerWaalsContact O-N 3.17Å
143	S	35.2	Very low	38.4	Very low	121 Å²	121	113 Å²	113	85%	0.846	70%	0.695	S	S	*	*			trans	-78.8	94.7	174.1	56.6	0	0	0	0	111.3
144	N	34.1	Very low	36.9	Very low	153 Å²	153	117.3 Å²	117.3	82%	0.818	71%	0.713	S	S	*	*			trans	-111.9	104	172.9	-102.9	-9.3	0	0	0	111.1	P142	P142-N144 PolarHBondContact O-N 2.89Å; P142-N144 VanDerWaalsContact O-N 3.17Å
145	S	38.7	Very low	35.7	Very low	120 Å²	120	123.4 Å²	123.4	84%	0.839	73%	0.731	S	S	*	*			trans	-165.5	105.9	154.1	57.7	0	0	0	0	112
146	H	32.1	Very low	34.9	Very low	197 Å²	197	127 Å²	127	91%	0.912	76%	0.764	S	S	*	*			trans	-70.8	145.5	161.7	-80.7	-99.3	0	0	0	110.8
147	A	34.4	Very low	33.8	Very low	88 Å²	88	127.1 Å²	127.1	73%	0.727	78%	0.778	S	S	*	*			trans	-176.1	106.9	133.9	0	0	0	0	0	113.7
148	S	30.1	Very low	32.7	Very low	100 Å²	100	128 Å²	128	70%	0.699	79%	0.785	S	S	*	*			trans	37.8	125.3	138.6	60.9	0	0	0	0	123.9
149	M	29.1	Very low	32.3	Very low	194 Å²	194	129.7 Å²	129.7	96%	0.956	79%	0.794	S	S	*	*			trans	74.9	124.2	131.8	-67.3	176.8	68.1	0	0	121.2
150	G	30.9	Very low	31.5	Very low	80 Å²	80	132.4 Å²	132.4	83%	0.825	81%	0.809	S	S	*	*			trans	171.7	73.3	167.2	0	0	0	0	0	112.6
151	V	26.3	Very low	31.4	Very low	140 Å²	140	134.3 Å²	134.3	85%	0.848	81%	0.812	S	S	*	*			trans	-83.3	127.9	175.5	175.7	0	0	0	0	110.1
152	A	31.2	Very low	31.4	Very low	100 Å²	100	137.2 Å²	137.2	83%	0.826	82%	0.817	S	S	*	*			trans	-149.2	105.1	161.3	0	0	0	0	0	110
153	T	25.8	Very low	31.2	Very low	116 Å²	116	137.2 Å²	137.2	71%	0.712	82%	0.815	S	S	*	*			trans	-83.1	141.9	171.8	43.4	0	0	0	0	111.1
154	F	29.8	Very low	31	Very low	216 Å²	216	136 Å²	136	95%	0.947	81%	0.812	S	S	*	*			trans	-140.7	128.3	153.9	-101.3	-83.3	0	0	0	109.7
155	E	26.6	Very low	30.7	Very low	183 Å²	183	133.1 Å²	133.1	86%	0.855	81%	0.809	S	S	*	*			trans	-105.1	178.9	178.1	-67.6	-174.7	127.9	0	0	111.5
156	A	28.9	Very low	30.3	Very low	100 Å²	100	134.9 Å²	134.9	83%	0.826	82%	0.815	S	S	*	*			trans	75.9	142.5	163.5	0	0	0	0	0	117.1
157	S	30.2	Very low	30.2	Very low	120 Å²	120	129.3 Å²	129.3	84%	0.839	80%	0.803	S	S	*	*			cis	-157.8	167.9	-5.1	47.2	0	0	0	0	112.4
158	A	29.5	Very low	30.1	Very low	83 Å²	83	133.6 Å²	133.6	69%	0.686	81%	0.808	S	S	*	*			trans	-47.4	162.7	178.4	0	0	0	0	0	118.7
159	N	34.3	Very low	30.3	Very low	170 Å²	170	136.1 Å²	136.1	91%	0.909	81%	0.807	S	S	*	*				-160.4	150.3	125.5	-100.7	-13.6	0	0	0	112.1
160	E	30.5	Very low	30.7	Very low	175 Å²	175	133.4 Å²	133.4	82%	0.818	79%	0.791	S	S	*	*			trans	-105.7	-177.3	-174.5	-64.5	178.6	119.1	0	0	113.1
161	D	33.1	Very low	30.8	Very low	127 Å²	127	136.2 Å²	136.2	68%	0.679	79%	0.788	S	S	*	*			trans	80.3	114.9	154.8	-69.6	-21.5	0	0	0	123.6
162	H	35.2	Very low	31.3	Very low	185 Å²	185	135.9 Å²	135.9	86%	0.856	78%	0.781	S	S	*	*				175.2	119	113.7	-84.9	-36	0	0	0	108.5
163	V	29	Very low	31.5	Very low	114 Å²	114	137.4 Å²	137.4	69%	0.691	78%	0.775	S	S	*	*			cis	96.1	108.6	41.8	174.2	0	0	0	0	114.1
164	A	30.7	Very low	32	Very low	95 Å²	95	136.6 Å²	136.6	79%	0.785	78%	0.78	S	S	*	*			trans	59.9	166.4	150.7	0	0	0	0	0	120.9
165	A	29.4	Very low	32.3	Very low	92 Å²	92	130.2 Å²	130.2	76%	0.76	77%	0.768	S	S	*	*			cis	-177.2	143.7	-38.3	0	0	0	0	0	108.5
166	V	29.9	Very low	32.6	Very low	157 Å²	157	127.5 Å²	127.5	95%	0.952	76%	0.763	S	S	*	*			trans	-147.7	144	158.8	-175.5	0	0	0	0	109.3
167	A	29.7	Very low	33	Very low	81 Å²	81	128.8 Å²	128.8	67%	0.669	76%	0.756	S	S	*	*			trans	-137.3	172	-169.7	0	0	0	0	0	113.5
168	Q	31.8	Very low	33.1	Very low	178 Å²	178	131.1 Å²	131.1	83%	0.832	75%	0.754	S	S	*	*			trans	69.8	145.4	165.6	-64.2	178.2	2.8	0	0	115.1
169	K	35.1	Very low	33.4	Very low	153 Å²	153	132.1 Å²	132.1	67%	0.665	75%	0.751	S	S	*	*			cis	-148.4	-175.5	19.9	-113.2	147	158	-66.4	0	108.9
170	E	35.9	Very low	33.2	Very low	136 Å²	136	131.6 Å²	131.6	64%	0.636	74%	0.743	S	S	*	*			cis	-138.4	-129.7	10.5	-162.1	68.4	-105.1	0	0	109.9
171	N	33.9	Very low	33.4	Very low	140 Å²	140	129.7 Å²	129.7	75%	0.749	74%	0.744	S	S	*	*			trans	-147.8	-177.6	-172.2	-91.6	-21.1	0	0	0	114.5
172	N	36.8	Very low	33.3	Very low	132 Å²	132	127.1 Å²	127.1	71%	0.706	74%	0.74	S	S	*	*			trans	99.1	137.1	158.2	-60.8	40.3	0	0	0	116.5
173	D	35.5	Very low	32.9	Very low	133 Å²	133	127.9 Å²	127.9	71%	0.711	74%	0.741	S	S	*	*			cis	-164.4	157.3	-10.8	-104.6	-30.1	0	0	0	111.3
174	A	36.9	Very low	32.8	Very low	98 Å²	98	129.2 Å²	129.2	81%	0.81	75%	0.749	S	S	*	*			trans	60.5	149.2	153.2	0	0	0	0	0	121
175	A	35.5	Very low	32.6	Very low	83 Å²	83	131.4 Å²	131.4	69%	0.686	75%	0.752	S	S	*	*			cis	-168	142.9	-19.7	0	0	0	0	0	109.8
176	V	32.1	Very low	32.5	Very low	126 Å²	126	134.1 Å²	134.1	76%	0.764	75%	0.754	S	S	*	*				53	130	122.1	-175.6	0	0	0	0	117.9
177	D	37.1	Very low	32.3	Very low	126 Å²	126	135.5 Å²	135.5	67%	0.674	75%	0.75	S	S	*	*			cis	-150.1	142.7	44.5	-102.6	-40.1	0	0	0	110.7
178	E	33.9	Very low	32.2	Very low	170 Å²	170	139.7 Å²	139.7	79%	0.794	76%	0.759	S	S	*	*				71	143.5	84.8	-70.1	-157.1	172.1	0	0	115.7
179	V	36.1	Very low	32.1	Very low	103 Å²	103	142.5 Å²	142.5	62%	0.624	76%	0.762	S	S	*	*			cis	-159	158	10.1	107.6	0	0	0	0	113.2
180	E	30	Very low	31.7	Very low	159 Å²	159	139.4 Å²	139.4	74%	0.743	77%	0.766	S	S	*	*			trans	35.5	140.9	159.2	-59.8	178.7	113.7	0	0	122.8
181	T	34.8	Very low	31.4	Very low	135 Å²	135	138.8 Å²	138.8	83%	0.828	77%	0.773	S	S	*	*				-164.3	162	53.1	36.1	0	0	0	0	109.8
182	A	29.1	Very low	31.3	Very low	73 Å²	73	136.1 Å²	136.1	60%	0.603	77%	0.765	S	S	*	*			cis	168.8	131.9	-31.2	0	0	0	0	0	106.3
183	K	27.6	Very low	31.1	Very low	201 Å²	201	136.3 Å²	136.3	87%	0.874	77%	0.774	S	S	*	*			trans	61.9	104.5	161.5	-58.3	172.6	-179.8	175.7	0	119.6
184	V	27.7	Very low	30.9	Very low	142 Å²	142	137.7 Å²	137.7	86%	0.861	78%	0.776	S	S	*	*				-156.7	109.9	106.4	178.9	0	0	0	0	107.7
185	V	25	Very low	30.5	Very low	141 Å²	141	141 Å²	141	86%	0.855	78%	0.777	S	S	*	*			trans	-144.6	106.7	161.9	178.6	0	0	0	0	106.8
186	D	27.5	Very low	30.3	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	78%	0.784	S	S	*	*			trans	-155.9	146.6	160.7	-98	-39.8	0	0	0	108.9
187	E	26.8	Very low	30.2	Very low	185 Å²	185	143.9 Å²	143.9	86%	0.864	78%	0.781	S	S	*	*			trans	52.3	77.1	163.7	-57.3	-169.1	152.7	0	0	120.1
188	I	28.2	Very low	29.8	Very low	169 Å²	169	146.9 Å²	146.9	87%	0.867	79%	0.791	S	S	*	*			trans	-130.4	104.9	136.2	-58.1	-176.1	0	0	0	110.2
189	R	27.7	Very low	29.6	Very low	237 Å²	237	144.8 Å²	144.8	89%	0.894	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-64	131.4	171.3	-178.6	177.5	-179	171.3	-1	110.1
190	A	26.7	Very low	29.3	Very low	89 Å²	89	145.4 Å²	145.4	74%	0.736	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60.7	129.9	178.7	0	0	0	0	0	111.5
191	P	30.8	Very low	29.3	Very low	122 Å²	122	144.2 Å²	144.2	79%	0.792	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.5	142.6	171.4	31.2	-32.6	0	0	0	110.9
192	S	31.8	Very low	29.2	Very low	84 Å²	84	142.1 Å²	142.1	59%	0.587	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-67.3	157.1	175.4	38.8	0	0	0	0	112.5	E194	S192-E194 PolarHBondContact O-N 3.36Å
193	P	31.9	Very low	29.2	Very low	136 Å²	136	147.7 Å²	147.7	88%	0.883	81%	0.809	S	S	*	*			trans	-77.2	86.7	-179.1	32	-35	0	0	0	111.4
194	E	32.4	Very low	29.7	Very low	162 Å²	162	140.5 Å²	140.5	76%	0.757	79%	0.792	S	S	*	*			trans	-109.7	113.6	172.3	-71.1	-173.7	161.4	0	0	111.8	S192 V196	S192-E194 PolarHBondContact O-N 3.36Å; E194-V196 PolarHBondContact O-N 3.23Å
195	M	28.4	Very low	30.4	Very low	167 Å²	167	139.4 Å²	139.4	82%	0.823	79%	0.791	S	S	*	*			trans	41.5	69.9	154.1	-53.1	-156.9	76.9	0	0	118	N197	M195-N197 PolarHBondContact O-N 3.06Å
196	V	29.8	Very low	31.6	Very low	138 Å²	138	134.1 Å²	134.1	84%	0.836	76%	0.758	S	S	*	*			trans	-75.4	104.7	154	-177.5	0	0	0	0	107.8	E194 E198	E194-V196 PolarHBondContact O-N 3.23Å; V196-E198 PolarHBondContact O-N 3.44Å
197	N	31.7	Very low	33.1	Very low	133 Å²	133	132.6 Å²	132.6	71%	0.711	75%	0.746	S	S	*	*			trans	-58	123.2	171.1	-77.7	-43.7	0	0	0	109.7	M195 V199	M195-N197 PolarHBondContact O-N 3.06Å; N197-V199 PolarHBondContact O-N 2.97Å; N197-V199 VanDerWaalsContact O-N 3.08Å
198	E	28.5	Very low	34.5	Very low	188 Å²	188	125.3 Å²	125.3	88%	0.879	71%	0.714	S	S	*	*			trans	-62.6	110.8	174.7	-65.9	-175.2	147.4	0	0	109.7	V196 P200	V196-E198 PolarHBondContact O-N 3.44Å; E198-P200 WeakPolarHBondContact O-CD 3.48Å
199	V	30.1	Very low	35.9	Very low	126 Å²	126	122.3 Å²	122.3	76%	0.764	70%	0.7	S	S	*	*			trans	-68.2	120.9	163.3	178.7	0	0	0	0	106.3	N197 V201	N197-V199 PolarHBondContact O-N 2.97Å; N197-V199 VanDerWaalsContact O-N 3.08Å; V199-V201 PolarHBondContact O-N 2.95Å
200	P	28.7	Very low	37.6	Very low	117 Å²	117	116.2 Å²	116.2	76%	0.76	68%	0.68	S	S	*	*			trans	-63.8	113.6	-175.3	24.4	-33.2	0	0	0	109.7	E198 A202	E198-P200 WeakPolarHBondContact O-CD 3.48Å; P200-A202 PolarHBondContact O-N 3.39Å
201	V	29.9	Very low	39.3	Very low	134 Å²	134	112.7 Å²	112.7	81%	0.812	65%	0.648	S	S	*	*			trans	-63.5	116.6	167.6	177.7	0	0	0	0	106.7	V199 E203	V199-V201 PolarHBondContact O-N 2.95Å; V201-E203 PolarHBondContact O-N 3.16Å; V201-E203 VanDerWaalsContact O-N 3.11Å
202	A	33.3	Very low	40.6	Very low	91 Å²	91	108.2 Å²	108.2	75%	0.752	62%	0.618	S	S	*	*			trans	-57.9	119.2	-177.6	0	0	0	0	0	110.8	P200 G204	P200-A202 PolarHBondContact O-N 3.39Å; A202-G204 PolarHBondContact O-N 3.49Å
203	E	29.6	Very low	42.1	Very low	189 Å²	189	111.1 Å²	111.1	88%	0.883	62%	0.62	S	S	*	*			trans	-70.6	70	177.9	-67	-172.1	129.3	0	0	111.6	K139 V201	K139-E203 PolarHBondContact NZ-O 2.95Å; K139-E203 VanDerWaalsContact NZ-O 3.15Å; V201-E203 PolarHBondContact O-N 3.16Å; V201-E203 VanDerWaalsContact O-N 3.11Å
204	G	36.8	Very low	43.4	Very low	50 Å²	50	106.3 Å²	106.3	52%	0.515	59%	0.586	S	S	.	*			trans	-106.5	-16.5	-176.6	0	0	0	0	0	114.8	A202 L206	A202-G204 PolarHBondContact O-N 3.49Å; G204-L206 PolarHBondContact O-N 3.29Å
205	S	41.9	Very low	44.7	Very low	120 Å²	120	98.9 Å²	98.9	84%	0.839	55%	0.552	S	S	*	*			trans	-69.1	86	-175.8	172.5	0	0	0	0	112.2	E207	S205-E207 PolarHBondContact O-N 3.2Å
206	L	50.5	Low	46.1	Very low	29 Å²	29	96.8 Å²	96.8	15%	0.152	54%	0.544	C	S	.	.			trans	-56.9	132.3	161.5	-114.3	76.4	0	0	0	108.9	V135 G204 T208 K210 I211	V135-L206 HydrophobicContact CB-CD2 4.49Å; V135-L206 HydrophobicContact CG1-CD1 3.7Å; V135-L206 HydrophobicContact CG1-CD2 3.68Å; V135-L206 HydrophobicContact CG1-CG 4.34Å; V135-L206 HydrophobicContact CG2-CD2 3.92Å; G204-L206 PolarHBondContact O-N 3.29Å; L206-T208 PolarHBondContact O-N 3.17Å; L206-K210 HydrophobicContact CD2-CB 3.96Å; L206-K210 HydrophobicContact CD2-CD 4.07Å; L206-K210 HydrophobicContact CG-CD 4.1Å; L206-I211 HydrophobicContact CB-CG1 4.49Å
207	E	59.3	Low	47.3	Very low	118 Å²	118	96.4 Å²	96.4	55%	0.551	54%	0.536	S	S	*	.			trans	-51.8	132.1	175.9	-63.6	179.6	129.1	0	0	110.4	S205 N209 K210	S205-E207 PolarHBondContact O-N 3.2Å; E207-N209 PolarHBondContact O-N 3.44Å; E207-K210 WeakPolarHBondContact O-CB 3.22Å; E207-K210 PolarHBondContact O-N 2.94Å
208	T	56.5	Low	48.4	Very low	33 Å²	33	92.4 Å²	92.4	20%	0.202	52%	0.522	C	S	.	.	H	α-helix	trans	-45.2	-35.6	179.1	-35.8	0	0	0	0	112.6	L206 K210 I211 L212 K234	L206-T208 PolarHBondContact O-N 3.17Å; T208-K210 VanDerWaalsContact C-N 3.31Å; T208-K210 PolarHBondContact O-N 2.86Å; T208-I211 PolarHBondContact O-N 3.48Å; T208-L212 HydrophobicContact CG2-CD1 3.97Å; T208-L212 HydrophobicContact CG2-CG 4.32Å; T208-L212 WeakPolarHBondContact O-CB 3.4Å; T208-L212 VanDerWaalsContact O-CG 3.28Å; T208-L212 WeakPolarHBondContact O-CG 3.47Å; T208-L212 PolarHBondContact O-N 2.84Å; T208-K234 HydrophobicContact CG2-CB 4.09Å
209	N	57.8	Low	49.3	Very low	106 Å²	106	85.5 Å²	85.5	57%	0.567	49%	0.493	S	S	*	.	H	α-helix	trans	-57.3	-36.3	176.5	-64	-20.4	0	0	0	114	E207 K213	E207-N209 PolarHBondContact O-N 3.44Å; N209-K213 VanDerWaalsContact O-CB 3.22Å; N209-K213 WeakPolarHBondContact O-CB 3.19Å; N209-K213 PolarHBondContact O-N 3.35Å
210	K	63.3	Low	49.9	Very low	108 Å²	108	84.6 Å²	84.6	47%	0.47	48%	0.483	S	S	.	.	H	α-helix	trans	-71.4	-47.4	177.3	-66.7	179.7	-178.3	178.3	0	110.6	L206 E207 T208 L212 K213 L214	L206-K210 HydrophobicContact CD2-CB 3.96Å; L206-K210 HydrophobicContact CD2-CD 4.07Å; L206-K210 HydrophobicContact CG-CD 4.1Å; E207-K210 WeakPolarHBondContact O-CB 3.22Å; E207-K210 PolarHBondContact O-N 2.94Å; T208-K210 VanDerWaalsContact C-N 3.31Å; T208-K210 PolarHBondContact O-N 2.86Å; K210-L212 PolarHBondContact O-N 3.29Å; K210-K213 PolarHBondContact O-N 2.79Å; K210-K213 VanDerWaalsContact O-N 3.16Å; K210-L214 VanDerWaalsContact O-CG 3.32Å; K210-L214 WeakPolarHBondContact O-CG 3.39Å; K210-L214 PolarHBondContact O-N 2.82Å
211	I	61.9	Low	50.6	Low	15 Å²	15	84.3 Å²	84.3	8%	0.077	48%	0.482	C	S	.	.	H	α-helix	trans	-59.1	-48.1	175.3	-60.6	175	0	0	0	110.1	L206 T208 K213 L214 I215 L245	L206-I211 HydrophobicContact CB-CG1 4.49Å; T208-I211 PolarHBondContact O-N 3.48Å; I211-K213 VanDerWaalsContact C-N 3.32Å; I211-K213 PolarHBondContact O-N 2.91Å; I211-L214 PolarHBondContact O-N 2.79Å; I211-I215 HydrophobicContact CG2-CD1 3.78Å; I211-I215 HydrophobicContact CG2-CG1 4.39Å; I211-I215 VanDerWaalsContact O-CB 3.27Å; I211-I215 WeakPolarHBondContact O-CB 3.33Å; I211-I215 WeakPolarHBondContact O-CG1 2.93Å; I211-I215 PolarHBondContact O-N 2.91Å; I211-L245 HydrophobicContact CG2-CD1 4.08Å
212	L	59.6	Low	51.1	Low	29 Å²	29	80.7 Å²	80.7	15%	0.152	47%	0.472	C	S	.	.	H	α-helix	trans	-57.7	-41.8	174.9	-75.7	164.7	0	0	0	112.4	T208 K210 N216 E230 L233	T208-L212 HydrophobicContact CG2-CD1 3.97Å; T208-L212 HydrophobicContact CG2-CG 4.32Å; T208-L212 WeakPolarHBondContact O-CB 3.4Å; T208-L212 VanDerWaalsContact O-CG 3.28Å; T208-L212 WeakPolarHBondContact O-CG 3.47Å; T208-L212 PolarHBondContact O-N 2.84Å; K210-L212 PolarHBondContact O-N 3.29Å; L212-N216 VanDerWaalsContact O-CB 3.32Å; L212-N216 WeakPolarHBondContact O-CB 3.32Å; L212-N216 VanDerWaalsContact O-CG 3.26Å; L212-N216 PolarHBondContact O-N 3.2Å; L212-N216 PolarHBondContact O-ND2 3.18Å; L212-E230 HydrophobicContact CD1-CG 4.13Å; L212-L233 HydrophobicContact CD2-CD1 3.53Å
213	K	62	Low	51.9	Low	145 Å²	145	81.2 Å²	81.2	63%	0.63	46%	0.457	S	S	*	.	H	α-helix	trans	-66.6	-41.9	178	-171.4	176.1	-178	-178.2	0	111.6	N209 K210 I211 N216 L217	N209-K213 VanDerWaalsContact O-CB 3.22Å; N209-K213 WeakPolarHBondContact O-CB 3.19Å; N209-K213 PolarHBondContact O-N 3.35Å; K210-K213 PolarHBondContact O-N 2.79Å; K210-K213 VanDerWaalsContact O-N 3.16Å; I211-K213 VanDerWaalsContact C-N 3.32Å; I211-K213 PolarHBondContact O-N 2.91Å; K213-N216 PolarHBondContact O-N 3.18Å; K213-L217 HydrophobicContact CG-CD1 4.02Å; K213-L217 WeakPolarHBondContact O-CB 3.27Å; K213-L217 WeakPolarHBondContact O-CD1 3.36Å; K213-L217 WeakPolarHBondContact O-CG 3.32Å; K213-L217 PolarHBondContact O-N 3.09Å
214	L	59.5	Low	52.9	Low	35 Å²	35	77.3 Å²	77.3	18%	0.183	44%	0.441	C	S	.	.	H	α-helix	trans	-66.8	-45.9	177.3	-69.3	167.8	0	0	0	111.7	V131 V135 K210 I211 N216 L217 A218 E242	V131-L214 HydrophobicContact CG1-CD1 3.71Å; V131-L214 HydrophobicContact CG1-CD2 3.73Å; V131-L214 HydrophobicContact CG1-CG 4.19Å; V131-L214 HydrophobicContact CG2-CD2 4.07Å; V135-L214 HydrophobicContact CG2-CD1 4.11Å; K210-L214 VanDerWaalsContact O-CG 3.32Å; K210-L214 WeakPolarHBondContact O-CG 3.39Å; K210-L214 PolarHBondContact O-N 2.82Å; I211-L214 PolarHBondContact O-N 2.79Å; L214-N216 PolarHBondContact O-N 3.46Å; L214-L217 PolarHBondContact O-N 3.27Å; L214-A218 WeakPolarHBondContact O-CB 3.07Å; L214-A218 PolarHBondContact O-N 3.39Å; L214-E242 WeakPolarHBondContact CD1-OE1 3.12Å
215	I	59.8	Low	53.9	Low	5 Å²	5	80.4 Å²	80.4	3%	0.026	44%	0.442	C	S	.	.	H	α-helix	trans	-53	-50.6	171.9	-82.4	177	0	0	0	111.4	I211 L217 A218 L233 L246	I211-I215 HydrophobicContact CG2-CD1 3.78Å; I211-I215 HydrophobicContact CG2-CG1 4.39Å; I211-I215 VanDerWaalsContact O-CB 3.27Å; I211-I215 WeakPolarHBondContact O-CB 3.33Å; I211-I215 WeakPolarHBondContact O-CG1 2.93Å; I211-I215 PolarHBondContact O-N 2.91Å; I215-L217 VanDerWaalsContact C-N 3.32Å; I215-L217 PolarHBondContact O-N 3.28Å; I215-A218 PolarHBondContact O-N 3.29Å; I215-L233 HydrophobicContact CD1-CD1 4.11Å; I215-L233 HydrophobicContact CD1-CD2 3.76Å; I215-L246 HydrophobicContact CG1-CD2 4.09Å
216	N	58.9	Low	54.9	Low	123 Å²	123	76.7 Å²	76.7	66%	0.658	41%	0.41	S	S	*	.	H	α-helix	trans	-70.6	-22.9	-179.4	-75.2	-41.8	0	0	0	114	L212 K213 L214	L212-N216 VanDerWaalsContact O-CB 3.32Å; L212-N216 WeakPolarHBondContact O-CB 3.32Å; L212-N216 VanDerWaalsContact O-CG 3.26Å; L212-N216 PolarHBondContact O-N 3.2Å; L212-N216 PolarHBondContact O-ND2 3.18Å; K213-N216 PolarHBondContact O-N 3.18Å; L214-N216 PolarHBondContact O-N 3.46Å
217	L	53.6	Low	55.7	Low	130 Å²	130	81.8 Å²	81.8	68%	0.681	43%	0.431	S	S	*	.	H	α-helix	trans	-83.3	-28	176.7	-76.2	168	0	0	0	112.8	K213 L214 I215	K213-L217 HydrophobicContact CG-CD1 4.02Å; K213-L217 WeakPolarHBondContact O-CB 3.27Å; K213-L217 WeakPolarHBondContact O-CD1 3.36Å; K213-L217 WeakPolarHBondContact O-CG 3.32Å; K213-L217 PolarHBondContact O-N 3.09Å; L214-L217 PolarHBondContact O-N 3.27Å; I215-L217 VanDerWaalsContact C-N 3.32Å; I215-L217 PolarHBondContact O-N 3.28Å
218	A	54.4	Low	56.8	Low	50 Å²	50	77.1 Å²	77.1	41%	0.413	41%	0.41	S	S	.	.	H	α-helix	trans	-91.6	-14.9	-168.8	0	0	0	0	0	115.3	L214 I215	L214-A218 WeakPolarHBondContact O-CB 3.07Å; L214-A218 PolarHBondContact O-N 3.39Å; I215-A218 PolarHBondContact O-N 3.29Å
219	V	47.7	Very low	58.3	Low	43 Å²	43	77.4 Å²	77.4	26%	0.261	41%	0.411	S	S	.	.	S	Bend	trans	-122.5	133.3	-164.2	176.8	0	0	0	0	114.5	H249	V219-H249 WeakPolarHBondContact CG2-CD2 3.4Å
220	D	43.1	Very low	59.8	Low	106 Å²	106	77.9 Å²	77.9	57%	0.567	41%	0.41	S	S	*	.			trans	-56.6	125	174	-176.2	-23.6	0	0	0	110.7	G222 F223	D220-G222 PolarHBondContact O-N 3.29Å; D220-G222 PolarHBondContact OD1-N 3.22Å; D220-F223 PolarHBondContact O-N 2.75Å
221	P	43.2	Very low	61.2	Low	111 Å²	111	75 Å²	75	72%	0.721	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-14.6	176.2	-27.8	35.4	0	0	0	115.4	F223 I224	P221-F223 VanDerWaalsContact C-N 3.29Å; P221-F223 PolarHBondContact O-N 2.79Å; P221-I224 WeakPolarHBondContact O-CD1 3.36Å; P221-I224 WeakPolarHBondContact O-CG1 3.48Å
222	G	41.3	Very low	62.7	Low	59 Å²	59	74.5 Å²	74.5	61%	0.608	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-18.1	176.1	0	0	0	0	0	116.2	D220 I224	D220-G222 PolarHBondContact O-N 3.29Å; D220-G222 PolarHBondContact OD1-N 3.22Å; G222-I224 PolarHBondContact O-N 2.86Å; G222-I224 VanDerWaalsContact O-N 3.17Å
223	F	48.7	Very low	64.3	Low	102 Å²	102	73.4 Å²	73.4	45%	0.447	39%	0.394	S	S	.	.			trans	-90.2	60.6	-178.8	-78.1	-99.5	0	0	0	112.9	D220 P221 K252	D220-F223 PolarHBondContact O-N 2.75Å; P221-F223 VanDerWaalsContact C-N 3.29Å; P221-F223 PolarHBondContact O-N 2.79Å; F223-K252 HydrophobicContact CD1-CG 4.47Å; F223-K252 HydrophobicContact CE1-CD 4.46Å; F223-K252 HydrophobicContact CE1-CG 4.06Å
224	I	52.1	Low	65.7	Low	106 Å²	106	72.2 Å²	72.2	54%	0.544	39%	0.389	S	S	.	.			trans	-83.5	-24.4	-169.9	-56.6	-173.3	0	0	0	114.3	P221 G222 Y226	P221-I224 WeakPolarHBondContact O-CD1 3.36Å; P221-I224 WeakPolarHBondContact O-CG1 3.48Å; G222-I224 PolarHBondContact O-N 2.86Å; G222-I224 VanDerWaalsContact O-N 3.17Å; I224-Y226 PolarHBondContact O-N 3.15Å
225	E	57.4	Low	67.3	Low	116 Å²	116	72.5 Å²	72.5	54%	0.542	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-30.3	-158.8	-168.3	162.7	-151.7	0	0	115.2	K331	E225-K331 WeakPolarHBondContact O-CE 3.34Å; E225-K331 PolarHBondContact O-NZ 3.19Å
226	Y	63.5	Low	68.8	Low	42 Å²	42	72.2 Å²	72.2	17%	0.165	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	57.8	-176.3	-57	-81	0	0	0	111.7	I224 M228 L254 Q334 S539	I224-Y226 PolarHBondContact O-N 3.15Å; Y226-M228 PolarHBondContact O-N 3.28Å; Y226-L254 HydrophobicContact CD1-CD1 4.15Å; Y226-L254 HydrophobicContact CD1-CD2 3.81Å; Y226-L254 HydrophobicContact CD2-CD2 4.24Å; Y226-L254 HydrophobicContact CE1-CD1 3.68Å; Y226-L254 HydrophobicContact CE1-CD2 4.21Å; Y226-L254 HydrophobicContact CE2-CD1 4.49Å; Y226-L254 HydrophobicContact CG-CD2 3.81Å; Y226-Q334 HydrophobicContact CD1-CG 3.95Å; Y226-Q334 HydrophobicContact CE1-CG 3.96Å; Y226-S539 WeakPolarHBondContact OH-CB 3.5Å; Y226-S539 PolarHBondContact OH-O 2.94Å
227	K	65.6	Low	70.4	Confident	136 Å²	136	68.1 Å²	68.1	59%	0.591	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-62.4	120.7	175	-78.2	-176.5	174.5	-174.2	0	111.1	T229	K227-T229 PolarHBondContact O-N 3.06Å
228	M	82.3	Confident	72.2	Confident	20 Å²	20	70 Å²	70	10%	0.099	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-69.3	120.3	165	-59.9	179.1	-63.8	0	0	107.6	Y226 W232 L233 M248 H249	Y226-M228 PolarHBondContact O-N 3.28Å; M228-W232 HydrophobicContact CB-CD2 4.26Å; M228-W232 HydrophobicContact CB-CE3 3.73Å; M228-W232 HydrophobicContact CB-CZ3 4.21Å; M228-W232 HydrophobicContact CG-CD2 4.37Å; M228-W232 HydrophobicContact CG-CE3 3.9Å; M228-W232 HydrophobicContact CG-CH2 4.44Å; M228-W232 HydrophobicContact CG-CZ3 3.95Å; M228-W232 HydrophobicContact SD-CE3 3.87Å; M228-W232 HydrophobicContact SD-CH2 3.71Å; M228-W232 HydrophobicContact SD-CZ3 3.29Å; M228-W232 WeakPolarHBondContact SD-CZ3 3.37Å; M228-L233 HydrophobicContact CB-CD1 4.32Å; M228-L233 HydrophobicContact CB-CD2 4.19Å; M228-L233 HydrophobicContact CB-CG 3.96Å; M228-L233 HydrophobicContact CE-CD2 3.99Å; M228-L233 HydrophobicContact SD-CD2 4.3Å; M228-M248 HydrophobicContact CE-CB 4.5Å; M228-M248 HydrophobicContact SD-CB 4.2Å; M228-H249 HydrophobicContact CE-CB 3.5Å; M228-H249 VanDerWaalsContact CE-CB 3.5Å
229	T	88.7	Confident	73.9	Confident	38 Å²	38	69 Å²	69	23%	0.233	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-72.8	159.1	-179.9	66.9	0	0	0	0	110.5	K227 W232 L233 Q327 Y328	K227-T229 PolarHBondContact O-N 3.06Å; T229-W232 WeakPolarHBondContact O-CA 3.38Å; T229-W232 WeakPolarHBondContact O-CB 3.38Å; T229-W232 PolarHBondContact O-N 3.17Å; T229-W232 PolarHBondContact OG1-N 3.26Å; T229-L233 PolarHBondContact O-N 3.32Å; T229-Q327 PolarHBondContact OG1-O 2.73Å; T229-Y328 WeakPolarHBondContact OG1-CA 3.45Å
230	E	89.3	Confident	75.9	Confident	116 Å²	116	67.3 Å²	67.3	54%	0.542	35%	0.353	S	S	.	.	H	α-helix	trans	-56.4	-43.2	174.3	170.9	177.3	-171.3	0	0	112.8	L212 W232 L233 K234	L212-E230 HydrophobicContact CD1-CG 4.13Å; E230-W232 VanDerWaalsContact C-N 3.31Å; E230-W232 PolarHBondContact O-N 3.04Å; E230-L233 PolarHBondContact O-N 2.77Å; E230-K234 WeakPolarHBondContact O-CB 3.2Å; E230-K234 PolarHBondContact O-N 3.24Å
231	P	92.6	Very high	78.2	Confident	49 Å²	49	64.4 Å²	64.4	32%	0.318	34%	0.341	S	S	.	.	H	α-helix	trans	-57.2	-38.8	169.7	-28.3	35.8	0	0	0	114.3	L235 Q327 Y328	P231-L235 WeakPolarHBondContact O-CG 3.36Å; P231-L235 PolarHBondContact O-N 3.41Å; P231-Q327 HydrophobicContact CB-CG 4.08Å; P231-Q327 HydrophobicContact CG-CG 4.25Å; P231-Y328 HydrophobicContact CB-CD1 3.93Å; P231-Y328 HydrophobicContact CB-CE1 3.84Å
232	W	94.5	Very high	80.4	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-49.5	176.1	-173.2	105.1	0	0	0	110.6	M228 T229 E230 K234 L235 A236 L245 M248 A291 G294 C295 R296 Y328 Y330	M228-W232 HydrophobicContact CB-CD2 4.26Å; M228-W232 HydrophobicContact CB-CE3 3.73Å; M228-W232 HydrophobicContact CB-CZ3 4.21Å; M228-W232 HydrophobicContact CG-CD2 4.37Å; M228-W232 HydrophobicContact CG-CE3 3.9Å; M228-W232 HydrophobicContact CG-CH2 4.44Å; M228-W232 HydrophobicContact CG-CZ3 3.95Å; M228-W232 HydrophobicContact SD-CE3 3.87Å; M228-W232 HydrophobicContact SD-CH2 3.71Å; M228-W232 HydrophobicContact SD-CZ3 3.29Å; M228-W232 WeakPolarHBondContact SD-CZ3 3.37Å; T229-W232 WeakPolarHBondContact O-CA 3.38Å; T229-W232 WeakPolarHBondContact O-CB 3.38Å; T229-W232 PolarHBondContact O-N 3.17Å; T229-W232 PolarHBondContact OG1-N 3.26Å; E230-W232 VanDerWaalsContact C-N 3.31Å; E230-W232 PolarHBondContact O-N 3.04Å; W232-K234 VanDerWaalsContact C-N 3.35Å; W232-K234 PolarHBondContact O-N 3.33Å; W232-L235 PolarHBondContact O-N 2.68Å; W232-L235 VanDerWaalsContact O-N 3.1Å; W232-A236 HydrophobicContact CD2-CB 4.14Å; W232-A236 HydrophobicContact CE3-CB 3.61Å; W232-A236 HydrophobicContact CH2-CB 3.54Å; W232-A236 HydrophobicContact CZ2-CB 4.09Å; W232-A236 HydrophobicContact CZ3-CB 3.28Å; W232-A236 WeakPolarHBondContact O-CB 3.41Å; W232-A236 PolarHBondContact O-N 2.79Å; W232-L245 HydrophobicContact CH2-CD2 4.38Å; W232-L245 HydrophobicContact CZ3-CD2 3.91Å; W232-M248 HydrophobicContact CH2-SD 3.89Å; W232-A291 HydrophobicContact CG-CB 4.06Å; W232-G294 WeakPolarHBondContact CZ2-O 3.28Å; W232-C295 WeakPolarHBondContact CZ2-O 3.49Å; W232-C295 PolarHBondContact NE1-O 3.39Å; W232-R296 HydrophobicContact CH2-CG 4.17Å; W232-R296 HydrophobicContact CZ2-CG 3.88Å; W232-Y328 HydrophobicContact CB-CD1 4.49Å; W232-Y330 AromaticContact CD1-CZ 3.82Å; W232-Y330 AromaticContact NE1-CZ 3.62Å; W232-Y330 PolarHBondContact NE1-OH 2.88Å
233	L	92	Very high	82.7	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-41.7	-178.9	-78.1	168	0	0	0	112.4	L212 I215 M228 T229 E230 L235 A236 S237 L245	L212-L233 HydrophobicContact CD2-CD1 3.53Å; I215-L233 HydrophobicContact CD1-CD1 4.11Å; I215-L233 HydrophobicContact CD1-CD2 3.76Å; M228-L233 HydrophobicContact CB-CD1 4.32Å; M228-L233 HydrophobicContact CB-CD2 4.19Å; M228-L233 HydrophobicContact CB-CG 3.96Å; M228-L233 HydrophobicContact CE-CD2 3.99Å; M228-L233 HydrophobicContact SD-CD2 4.3Å; T229-L233 PolarHBondContact O-N 3.32Å; E230-L233 PolarHBondContact O-N 2.77Å; L233-L235 PolarHBondContact O-N 3.02Å; L233-A236 PolarHBondContact O-N 2.96Å; L233-S237 VanDerWaalsContact O-CB 3.27Å; L233-S237 WeakPolarHBondContact O-CB 3.27Å; L233-S237 PolarHBondContact O-N 3.23Å; L233-S237 PolarHBondContact O-OG 3.18Å; L233-L245 HydrophobicContact CD2-CD2 4.22Å
234	K	91.1	Very high	84.7	Confident	120 Å²	120	56.5 Å²	56.5	52%	0.522	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-24.6	177	-175.5	175.1	179	176.7	0	113.9	T208 E230 W232	T208-K234 HydrophobicContact CG2-CB 4.09Å; E230-K234 WeakPolarHBondContact O-CB 3.2Å; E230-K234 PolarHBondContact O-N 3.24Å; W232-K234 VanDerWaalsContact C-N 3.35Å; W232-K234 PolarHBondContact O-N 3.33Å
235	L	92.8	Very high	86.6	Confident	40 Å²	40	51.5 Å²	51.5	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-88.3	-50.9	174	-69.1	-179.3	0	0	0	110.8	P231 W232 L233 S237 K238 E288 A291 A292 Y328	P231-L235 WeakPolarHBondContact O-CG 3.36Å; P231-L235 PolarHBondContact O-N 3.41Å; W232-L235 PolarHBondContact O-N 2.68Å; W232-L235 VanDerWaalsContact O-N 3.1Å; L233-L235 PolarHBondContact O-N 3.02Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 3.37Å; L235-K238 WeakPolarHBondContact O-CB 3.38Å; L235-K238 PolarHBondContact O-N 3.07Å; L235-K238 VanDerWaalsContact O-N 3.16Å; L235-E288 HydrophobicContact CD1-CG 4.3Å; L235-A291 HydrophobicContact CB-CB 4.34Å; L235-A291 HydrophobicContact CD1-CB 3.96Å; L235-A292 HydrophobicContact CB-CB 4.39Å; L235-Y328 HydrophobicContact CD1-CD1 4.15Å; L235-Y328 HydrophobicContact CD1-CE1 3.43Å; L235-Y328 VanDerWaalsContact CD1-CE1 3.43Å; L235-Y328 HydrophobicContact CG-CE1 4.48Å
236	A	92.5	Very high	88.1	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-33.4	-177.6	0	0	0	0	0	113.4	W232 L233 K238 A239 V240 L245 A291	W232-A236 HydrophobicContact CD2-CB 4.14Å; W232-A236 HydrophobicContact CE3-CB 3.61Å; W232-A236 HydrophobicContact CH2-CB 3.54Å; W232-A236 HydrophobicContact CZ2-CB 4.09Å; W232-A236 HydrophobicContact CZ3-CB 3.28Å; W232-A236 WeakPolarHBondContact O-CB 3.41Å; W232-A236 PolarHBondContact O-N 2.79Å; L233-A236 PolarHBondContact O-N 2.96Å; A236-K238 PolarHBondContact O-N 2.67Å; A236-A239 PolarHBondContact O-N 3.24Å; A236-V240 WeakPolarHBondContact O-CG2 3.45Å; A236-V240 PolarHBondContact O-N 3.04Å; A236-L245 HydrophobicContact CB-CD2 4.09Å; A236-A291 WeakPolarHBondContact CA-O 2.92Å; A236-A291 PolarHBondContact N-O 2.6Å
237	S	92.2	Very high	89.4	Confident	36 Å²	36	46.6 Å²	46.6	25%	0.252	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-1.7	177.5	75.5	0	0	0	0	114.9	L233 L235	L233-S237 VanDerWaalsContact O-CB 3.27Å; L233-S237 WeakPolarHBondContact O-CB 3.27Å; L233-S237 PolarHBondContact O-N 3.23Å; L233-S237 PolarHBondContact O-OG 3.18Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 3.37Å
238	K	91.7	Very high	90.7	Very high	171 Å²	171	40.1 Å²	40.1	74%	0.743	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-10.3	171.2	-55.9	-177.9	-178.8	-175	0	113.1	L235 A236	L235-K238 WeakPolarHBondContact O-CB 3.38Å; L235-K238 PolarHBondContact O-N 3.07Å; L235-K238 VanDerWaalsContact O-N 3.16Å; A236-K238 PolarHBondContact O-N 2.67Å
239	A	88.9	Confident	90.8	Very high	27 Å²	27	40.6 Å²	40.6	22%	0.223	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-36	-170.9	0	0	0	0	0	113.3	A236 A292 E552	A236-A239 PolarHBondContact O-N 3.24Å; A239-A292 WeakPolarHBondContact CB-O 3.46Å; A239-E552 HydrophobicContact CB-CB 4.32Å; A239-E552 HydrophobicContact CB-CG 3.52Å
240	V	90.2	Very high	90.7	Very high	8 Å²	8	41 Å²	41	5%	0.048	22%	0.217	C	C	.	.	S	Bend	trans	-126.2	150.4	-179.2	-63.6	0	0	0	0	110.6	A236 A244 L245 M248 E556	A236-V240 WeakPolarHBondContact O-CG2 3.45Å; A236-V240 PolarHBondContact O-N 3.04Å; V240-A244 HydrophobicContact CB-CB 4.14Å; V240-L245 HydrophobicContact CG2-CD2 3.64Å; V240-L245 HydrophobicContact CG2-CG 3.94Å; V240-M248 HydrophobicContact CB-CE 4.3Å; V240-M248 HydrophobicContact CG1-CE 4.08Å; V240-M248 HydrophobicContact CG2-CE 3.9Å; V240-M248 HydrophobicContact CG2-SD 4.21Å; V240-E556 HydrophobicContact CG1-CB 4.2Å
241	S	91.7	Very high	90.7	Very high	45 Å²	45	36.2 Å²	36.2	32%	0.315	20%	0.197	S	C	.	.			trans	-65.4	159.4	-179.1	66	0	0	0	0	113.3	K243 A244 L245 E556	S241-K243 PolarHBondContact O-N 2.93Å; S241-A244 WeakPolarHBondContact O-CB 3.44Å; S241-A244 PolarHBondContact O-N 2.78Å; S241-A244 VanDerWaalsContact O-N 3.09Å; S241-A244 PolarHBondContact OG-N 2.85Å; S241-L245 WeakPolarHBondContact O-CG 3.22Å; S241-L245 PolarHBondContact O-N 3.08Å; S241-E556 WeakPolarHBondContact CA-OE1 3.22Å; S241-E556 WeakPolarHBondContact CB-OE1 3.44Å; S241-E556 PolarHBondContact N-OE1 2.99Å; S241-E556 PolarHBondContact OG-OE1 2.77Å
242	E	88.2	Confident	90.7	Very high	37 Å²	37	38.4 Å²	38.4	17%	0.173	20%	0.201	C	C	.	.	H	α-helix	trans	-54.7	-37.9	171.2	-178.1	168.3	-158.4	0	0	112.3	L214 L245 L246	L214-E242 WeakPolarHBondContact CD1-OE1 3.12Å; E242-L245 PolarHBondContact O-N 3.27Å; E242-L246 HydrophobicContact CG-CD1 4.41Å; E242-L246 WeakPolarHBondContact O-CG 3.43Å; E242-L246 PolarHBondContact O-N 3.42Å
243	K	89.8	Confident	90.8	Very high	69 Å²	69	38.3 Å²	38.3	30%	0.3	20%	0.201	S	C	.	.	H	α-helix	trans	-64.1	-42.8	175.9	-168.1	-175.9	-179.4	-157	0	111.9	I128 I132 S241 R247 E560	I128-K243 HydrophobicContact CG2-CG 4.04Å; I132-K243 HydrophobicContact CD1-CG 4.48Å; S241-K243 PolarHBondContact O-N 2.93Å; K243-R247 PolarHBondContact O-N 2.85Å; K243-R247 VanDerWaalsContact O-N 3.17Å; K243-E560 IonicContact NZ-OE1 3.38Å; K243-E560 PolarHBondContact NZ-OE1 3.5Å
244	A	91.9	Very high	91	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-42.9	173.3	0	0	0	0	0	111.5	V240 S241 L246 R247 M248 E556	V240-A244 HydrophobicContact CB-CB 4.14Å; S241-A244 WeakPolarHBondContact O-CB 3.44Å; S241-A244 PolarHBondContact O-N 2.78Å; S241-A244 VanDerWaalsContact O-N 3.09Å; S241-A244 PolarHBondContact OG-N 2.85Å; A244-L246 PolarHBondContact O-N 2.81Å; A244-R247 PolarHBondContact O-N 3.31Å; A244-M248 WeakPolarHBondContact O-CB 3.4Å; A244-M248 VanDerWaalsContact O-CG 3.22Å; A244-M248 WeakPolarHBondContact O-CG 3.47Å; A244-M248 PolarHBondContact O-N 3.4Å; A244-E556 HydrophobicContact CB-CB 4.5Å; A244-E556 HydrophobicContact CB-CG 4.08Å
245	L	91.5	Very high	91.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-39.8	176.4	-70.4	176.8	0	0	0	113.4	I211 W232 L233 A236 V240 S241 E242 M248 H249	I211-L245 HydrophobicContact CG2-CD1 4.08Å; W232-L245 HydrophobicContact CH2-CD2 4.38Å; W232-L245 HydrophobicContact CZ3-CD2 3.91Å; L233-L245 HydrophobicContact CD2-CD2 4.22Å; A236-L245 HydrophobicContact CB-CD2 4.09Å; V240-L245 HydrophobicContact CG2-CD2 3.64Å; V240-L245 HydrophobicContact CG2-CG 3.94Å; S241-L245 WeakPolarHBondContact O-CG 3.22Å; S241-L245 PolarHBondContact O-N 3.08Å; E242-L245 PolarHBondContact O-N 3.27Å; L245-M248 HydrophobicContact CD2-SD 3.96Å; L245-M248 WeakPolarHBondContact O-CB 3.31Å; L245-M248 PolarHBondContact O-N 3.1Å; L245-H249 WeakPolarHBondContact O-CB 3.29Å; L245-H249 PolarHBondContact O-N 3.04Å
246	L	88.6	Confident	91.5	Very high	23 Å²	23	30.4 Å²	30.4	12%	0.12	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-45.2	175.7	-71.3	169.7	0	0	0	111.3	I128 V131 I215 E242 A244 H249 G250	I128-L246 HydrophobicContact CG1-CD1 4.38Å; V131-L246 HydrophobicContact CG1-CD1 4.47Å; I215-L246 HydrophobicContact CG1-CD2 4.09Å; E242-L246 HydrophobicContact CG-CD1 4.41Å; E242-L246 WeakPolarHBondContact O-CG 3.43Å; E242-L246 PolarHBondContact O-N 3.42Å; A244-L246 PolarHBondContact O-N 2.81Å; L246-H249 PolarHBondContact O-N 3.36Å; L246-G250 PolarHBondContact O-N 3.35Å
247	R	91.1	Very high	91.7	Very high	33 Å²	33	30.4 Å²	30.4	13%	0.125	16%	0.164	C	C	.	.	H	α-helix	trans	-64.4	-40.5	175.2	-76.8	162.4	147.8	173.3	-15.7	112.7	I128 K243 A244 H249 S251 Y559 E560 L562	I128-R247 HydrophobicContact CD1-CG 4.42Å; K243-R247 PolarHBondContact O-N 2.85Å; K243-R247 VanDerWaalsContact O-N 3.17Å; A244-R247 PolarHBondContact O-N 3.31Å; R247-H249 VanDerWaalsContact C-N 3.34Å; R247-H249 PolarHBondContact O-N 2.87Å; R247-S251 WeakPolarHBondContact O-CB 3.33Å; R247-S251 PolarHBondContact O-N 3.48Å; R247-Y559 WeakPolarHBondContact CD-O 3.29Å; R247-E560 VanDerWaalsContact NH1-CA 3.29Å; R247-E560 PolarHBondContact NH1-O 3.19Å; R247-E560 IonicContact NH1-OE1 3.56Å; R247-E560 PolarHBondContact NH1-OE1 2.69Å; R247-E560 PolarHBondContact NH2-O 3.35Å; R247-L562 VanDerWaalsContact CZ-OXT 3.24Å; R247-L562 PolarHBondContact NE-OXT 3.2Å; R247-L562 PolarHBondContact NH2-OXT 3.11Å
248	M	92.9	Very high	91.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-55.6	-48	169.8	-79.7	174.1	-179.4	0	0	111.1	M228 W232 V240 A244 L245 S251 R296 I555 Y559	M228-M248 HydrophobicContact CE-CB 4.5Å; M228-M248 HydrophobicContact SD-CB 4.2Å; W232-M248 HydrophobicContact CH2-SD 3.89Å; V240-M248 HydrophobicContact CB-CE 4.3Å; V240-M248 HydrophobicContact CG1-CE 4.08Å; V240-M248 HydrophobicContact CG2-CE 3.9Å; V240-M248 HydrophobicContact CG2-SD 4.21Å; A244-M248 WeakPolarHBondContact O-CB 3.4Å; A244-M248 VanDerWaalsContact O-CG 3.22Å; A244-M248 WeakPolarHBondContact O-CG 3.47Å; A244-M248 PolarHBondContact O-N 3.4Å; L245-M248 HydrophobicContact CD2-SD 3.96Å; L245-M248 WeakPolarHBondContact O-CB 3.31Å; L245-M248 PolarHBondContact O-N 3.1Å; M248-S251 PolarHBondContact O-N 3.35Å; M248-R296 PolarHBondContact O-NH1 3.42Å; M248-R296 PolarHBondContact O-NH2 2.87Å; M248-I555 HydrophobicContact CE-CG2 3.45Å; M248-I555 VanDerWaalsContact CE-CG2 3.45Å; M248-Y559 HydrophobicContact CB-CD1 4.32Å; M248-Y559 HydrophobicContact CB-CE1 4.32Å; M248-Y559 HydrophobicContact CE-CD2 3.38Å; M248-Y559 HydrophobicContact CE-CE2 3.56Å; M248-Y559 HydrophobicContact CE-CG 4.29Å; M248-Y559 HydrophobicContact CG-CD1 3.68Å; M248-Y559 HydrophobicContact CG-CD2 3.42Å; M248-Y559 VanDerWaalsContact CG-CD2 3.42Å; M248-Y559 HydrophobicContact CG-CE1 3.79Å; M248-Y559 HydrophobicContact CG-CE2 3.52Å; M248-Y559 HydrophobicContact CG-CG 3.52Å; M248-Y559 HydrophobicContact SD-CD2 4.25Å; M248-Y559 HydrophobicContact SD-CE2 4.28Å
249	H	85.2	Confident	91.9	Very high	29 Å²	29	21.5 Å²	21.5	13%	0.134	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-43.2	-177.1	-166	40.1	0	0	0	113	V219 M228 L245 L246 R247 S251	V219-H249 WeakPolarHBondContact CG2-CD2 3.4Å; M228-H249 HydrophobicContact CE-CB 3.5Å; M228-H249 VanDerWaalsContact CE-CB 3.5Å; L245-H249 WeakPolarHBondContact O-CB 3.29Å; L245-H249 PolarHBondContact O-N 3.04Å; L246-H249 PolarHBondContact O-N 3.36Å; R247-H249 VanDerWaalsContact C-N 3.34Å; R247-H249 PolarHBondContact O-N 2.87Å; H249-S251 PolarHBondContact O-N 3.06Å
250	G	85	Confident	91.6	Very high	46 Å²	46	22.2 Å²	22.2	47%	0.474	12%	0.123	S	C	.	.	H	α-helix	trans	-74	-6.1	177	0	0	0	0	0	115.1	L246	L246-G250 PolarHBondContact O-N 3.35Å
251	S	90.7	Very high	90.5	Very high	17 Å²	17	24.6 Å²	24.6	12%	0.119	14%	0.14	C	C	.	.			trans	-105.6	145.8	-171.7	-176.5	0	0	0	0	113.8	R247 M248 H249 K253 R296 L562	R247-S251 WeakPolarHBondContact O-CB 3.33Å; R247-S251 PolarHBondContact O-N 3.48Å; M248-S251 PolarHBondContact O-N 3.35Å; H249-S251 PolarHBondContact O-N 3.06Å; S251-K253 WeakPolarHBondContact OG-CB 3.31Å; S251-K253 WeakPolarHBondContact OG-CG 3.46Å; S251-K253 PolarHBondContact OG-N 2.9Å; S251-R296 PolarHBondContact O-NH1 3.25Å; S251-R296 PolarHBondContact O-NH2 3.16Å; S251-L562 WeakPolarHBondContact OG-CD1 3.21Å
252	K	92.7	Very high	88.8	Confident	94 Å²	94	27.1 Å²	27.1	41%	0.409	15%	0.145	S	C	.	.			trans	-86.8	-4.2	168.5	-67	176.8	174	-176.4	0	113.6	F223 D538 S539	F223-K252 HydrophobicContact CD1-CG 4.47Å; F223-K252 HydrophobicContact CE1-CD 4.46Å; F223-K252 HydrophobicContact CE1-CG 4.06Å; K252-D538 HydrophobicContact CB-CB 3.82Å; K252-D538 HydrophobicContact CD-CB 4.03Å; K252-D538 WeakPolarHBondContact CD-OD2 3.49Å; K252-S539 PolarHBondContact O-N 3.42Å
253	K	95.7	Very high	87.1	Confident	3 Å²	3	26.1 Å²	26.1	1%	0.013	15%	0.145	C	C	.	.			trans	-70.7	130.2	177.1	-59.3	-43.8	-165.9	-170.3	0	110.2	S251 V255 R296 M532 D534 F537 D538 M542 Y559	S251-K253 WeakPolarHBondContact OG-CB 3.31Å; S251-K253 WeakPolarHBondContact OG-CG 3.46Å; S251-K253 PolarHBondContact OG-N 2.9Å; K253-V255 HydrophobicContact CB-CG2 4.16Å; K253-R296 PolarHBondContact O-NH1 3.31Å; K253-M532 HydrophobicContact CB-CE 3.82Å; K253-M532 HydrophobicContact CB-SD 4.36Å; K253-M532 WeakPolarHBondContact CE-O 3.43Å; K253-M532 HydrophobicContact CG-CE 3.74Å; K253-M532 HydrophobicContact CG-SD 4.1Å; K253-D534 PolarHBondContact NZ-O 3.13Å; K253-F537 VanDerWaalsContact NZ-C 3.28Å; K253-F537 PolarHBondContact NZ-O 2.78Å; K253-D538 WeakPolarHBondContact CE-OD1 3.39Å; K253-D538 IonicContact NZ-OD1 3.03Å; K253-D538 PolarHBondContact NZ-OD1 3.32Å; K253-M542 HydrophobicContact CB-SD 4.19Å; K253-M542 HydrophobicContact CD-SD 3.82Å; K253-M542 HydrophobicContact CG-SD 4.36Å; K253-Y559 HydrophobicContact CB-CE1 4.21Å; K253-Y559 PolarHBondContact O-OH 3.04Å
254	L	96.1	Very high	84.9	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	63.4	178.2	-53.8	174.8	0	0	0	109	Y226 A297 Q334 I540 M542	Y226-L254 HydrophobicContact CD1-CD1 4.15Å; Y226-L254 HydrophobicContact CD1-CD2 3.81Å; Y226-L254 HydrophobicContact CD2-CD2 4.24Å; Y226-L254 HydrophobicContact CE1-CD1 3.68Å; Y226-L254 HydrophobicContact CE1-CD2 4.21Å; Y226-L254 HydrophobicContact CE2-CD1 4.49Å; Y226-L254 HydrophobicContact CG-CD2 3.81Å; L254-A297 HydrophobicContact CB-CB 3.93Å; L254-A297 VanDerWaalsContact O-CB 3.29Å; L254-A297 WeakPolarHBondContact O-CB 3.34Å; L254-Q334 HydrophobicContact CD1-CG 4.05Å; L254-I540 WeakPolarHBondContact CB-O 3.49Å; L254-M542 PolarHBondContact O-N 3.01Å
255	V	97.8	Very high	82.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	138.6	177.1	-175.8	0	0	0	0	110.6	K253 R296 L501 M532 M542 I555 L558 Y559	K253-V255 HydrophobicContact CB-CG2 4.16Å; V255-R296 PolarHBondContact O-N 3.33Å; V255-L501 HydrophobicContact CG1-CD1 4.34Å; V255-M532 HydrophobicContact CG2-CE 3.68Å; V255-M532 HydrophobicContact CG2-SD 3.64Å; V255-M542 VanDerWaalsContact CA-O 3.31Å; V255-M542 WeakPolarHBondContact CA-O 3.47Å; V255-M542 HydrophobicContact CG2-CB 4.23Å; V255-M542 HydrophobicContact CG2-SD 4.35Å; V255-I555 HydrophobicContact CG1-CG1 4.38Å; V255-L558 HydrophobicContact CG1-CB 4.34Å; V255-L558 HydrophobicContact CG1-CD1 3.6Å; V255-Y559 HydrophobicContact CB-CE2 3.68Å; V255-Y559 WeakPolarHBondContact CB-OH 3.4Å; V255-Y559 HydrophobicContact CG1-CE2 4.42Å; V255-Y559 HydrophobicContact CG2-CE2 4.24Å; V255-Y559 PolarHBondContact N-OH 3.13Å; V255-Y559 PolarHBondContact O-OH 3.36Å
256	G	97.4	Very high	79.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	-157.2	160.5	0	0	0	0	0	110.1	A297 M542 I543 L544	G256-A297 VanDerWaalsContact CA-O 3.22Å; G256-A297 WeakPolarHBondContact CA-O 3.19Å; G256-M542 PolarHBondContact N-O 3.22Å; G256-I543 CarbonylContact O-C 3.59Å; G256-I543 WeakPolarHBondContact O-CA 3.4Å; G256-L544 PolarHBondContact O-N 3.39Å
257	G	96.7	Very high	77	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	168.2	-176	0	0	0	0	0	114.8	M259 C295 F298 G299 L544	G257-M259 WeakPolarHBondContact O-CE 3.32Å; G257-M259 PolarHBondContact O-N 3.36Å; G257-C295 PolarHBondContact N-SG 2.98Å; G257-C295 VanDerWaalsContact N-SG 3.37Å; G257-F298 WeakPolarHBondContact O-CA 3.4Å; G257-F298 WeakPolarHBondContact O-CB 3.41Å; G257-G299 PolarHBondContact O-N 3.39Å; G257-G299 VanDerWaalsContact O-N 3.1Å; G257-L544 CarbonylContact C-O 3.58Å; G257-L544 WeakPolarHBondContact CA-O 3.42Å
258	H	95.1	Very high	74.5	Confident	15 Å²	15	49.2 Å²	49.2	7%	0.069	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	104.4	173.8	-171.2	-54.7	0	0	0	110.3	F301 I543 L544 E545 Y551	H258-F301 AromaticContact CE1-CD2 3.25Å; H258-F301 WeakPolarHBondContact CE1-CD2 3Å; H258-F301 AromaticContact CE1-CE2 3.49Å; H258-F301 VanDerWaalsContact CE1-CE2 3.49Å; H258-F301 WeakPolarHBondContact CE1-CE2 3.45Å; H258-F301 AromaticContact CE1-CG 3.89Å; H258-F301 PolarHBondContact CE1-N 3.47Å; H258-F301 VanDerWaalsContact CE1-N 3.34Å; H258-F301 AromaticContact NE2-CD2 3.61Å; H258-F301 AromaticContact NE2-CE2 3.54Å; H258-F301 AromaticContact NE2-CZ 3.93Å; H258-I543 HydrophobicContact CB-CG2 4.04Å; H258-L544 PolarHBondContact N-O 3.44Å; H258-E545 HydrophobicContact CB-CG 4.11Å; H258-E545 IonicContact CD2-OE1 3.39Å; H258-E545 PolarHBondContact CD2-OE1 3.33Å; H258-E545 VanDerWaalsContact CD2-OE1 3.27Å; H258-E545 IonicContact CG-OE1 2.65Å; H258-Y551 WeakPolarHBondContact O-CE2 3.41Å
259	M	93.4	Very high	71.7	Confident	4 Å²	4	54 Å²	54	2%	0.02	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	155.9	-178	-62.7	-65.6	106.6	0	0	112.5	G257 V286 A290 T293 F298 G299 Y551	G257-M259 WeakPolarHBondContact O-CE 3.32Å; G257-M259 PolarHBondContact O-N 3.36Å; M259-V286 HydrophobicContact CB-CG1 3.66Å; M259-V286 HydrophobicContact CG-CG1 4.22Å; M259-A290 HydrophobicContact CG-CB 4.03Å; M259-A290 HydrophobicContact SD-CB 4.3Å; M259-T293 HydrophobicContact CE-CG2 4.32Å; M259-F298 HydrophobicContact CG-CB 3.76Å; M259-F298 HydrophobicContact CG-CD2 4.33Å; M259-F298 HydrophobicContact CG-CG 4.24Å; M259-G299 PolarHBondContact N-O 2.66Å; M259-Y551 HydrophobicContact CE-CD2 3.66Å; M259-Y551 HydrophobicContact CE-CE2 4.01Å
260	T	80.8	Confident	69.3	Low	43 Å²	43	56.9 Å²	56.9	26%	0.264	31%	0.313	S	S	.	.			trans	-125.3	158.9	171.6	101	0	0	0	0	111.6	K262 G263	T260-K262 PolarHBondContact O-N 3.43Å; T260-K262 PolarHBondContact OG1-N 2.79Å; T260-G263 WeakPolarHBondContact CG2-O 3.46Å; T260-G263 PolarHBondContact O-N 3.12Å; T260-G263 VanDerWaalsContact O-N 3.08Å; T260-G263 PolarHBondContact OG1-N 3.17Å; T260-G263 PolarHBondContact OG1-O 3.47Å
261	S	68.1	Low	67	Low	58 Å²	58	59.5 Å²	59.5	41%	0.406	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-3.2	172.1	56.4	0	0	0	0	114.3	G281 G282 R289	S261-G281 CarbonylContact O-C 3.49Å; S261-G281 WeakPolarHBondContact O-CA 3.25Å; S261-G282 PolarHBondContact O-N 3.25Å; S261-R289 PolarHBondContact O-NH1 2.82Å
262	K	56.7	Low	64.2	Low	97 Å²	97	66.5 Å²	66.5	42%	0.422	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	3.1	173.9	-60.7	-165.1	174	-173.4	0	114.2	T260 D277	T260-K262 PolarHBondContact O-N 3.43Å; T260-K262 PolarHBondContact OG1-N 2.79Å; K262-D277 WeakPolarHBondContact CA-OD2 3.49Å; K262-D277 WeakPolarHBondContact CB-OD2 3.45Å; K262-D277 WeakPolarHBondContact CD-OD2 3.38Å; K262-D277 WeakPolarHBondContact CG-OD2 3.48Å
263	G	51.8	Low	61.5	Low	16 Å²	16	65.1 Å²	65.1	17%	0.165	35%	0.354	C	S	.	.			trans	77.8	-173.5	-165	0	0	0	0	0	112.2	T260	T260-G263 WeakPolarHBondContact CG2-O 3.46Å; T260-G263 PolarHBondContact O-N 3.12Å; T260-G263 VanDerWaalsContact O-N 3.08Å; T260-G263 PolarHBondContact OG1-N 3.17Å; T260-G263 PolarHBondContact OG1-O 3.47Å
264	V	44.6	Very low	58.7	Low	31 Å²	31	67.9 Å²	67.9	19%	0.188	37%	0.368	C	S	.	.	S	Bend	trans	-69.1	138.4	175.3	-168.5	0	0	0	0	108.9	K266 A548 T549 Y551	V264-K266 PolarHBondContact O-N 2.93Å; V264-A548 WeakPolarHBondContact CG1-O 3.14Å; V264-T549 WeakPolarHBondContact CB-O 3.39Å; V264-T549 WeakPolarHBondContact CG1-O 3.45Å; V264-Y551 HydrophobicContact CG2-CD2 4.03Å; V264-Y551 HydrophobicContact CG2-CE2 4.15Å
265	L	36.1	Very low	55.5	Low	138 Å²	138	74.6 Å²	74.6	72%	0.723	40%	0.399	S	S	*	.			trans	-64.1	98.9	-171.2	-80.5	162.3	0	0	0	111.5
266	K	36.1	Very low	52.2	Low	157 Å²	157	80.2 Å²	80.2	68%	0.683	43%	0.429	S	S	*	.			trans	-66.8	150	158.3	-67.5	-176.2	178.7	-179.8	0	109.5	V264	V264-K266 PolarHBondContact O-N 2.93Å
267	D	33.4	Very low	49.2	Very low	123 Å²	123	81.7 Å²	81.7	66%	0.658	44%	0.437	S	S	*	.			trans	-40.5	149.9	-170.8	-89.9	-62	0	0	0	117.1	S269 Q270	D267-S269 WeakPolarHBondContact CB-OG 3.37Å; D267-S269 PolarHBondContact O-N 3.26Å; D267-Q270 PolarHBondContact O-N 2.57Å
268	I	37.4	Very low	46.1	Very low	162 Å²	162	90.5 Å²	90.5	83%	0.831	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-17.2	174.5	-70.2	171.6	0	0	0	112.7	Q270 V271	I268-Q270 PolarHBondContact O-N 2.8Å; I268-V271 WeakPolarHBondContact O-CG2 3.48Å
269	S	34.9	Very low	43.1	Very low	101 Å²	101	95.8 Å²	95.8	71%	0.706	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.9	174.6	57.7	0	0	0	0	114.4	D267 V271	D267-S269 WeakPolarHBondContact CB-OG 3.37Å; D267-S269 PolarHBondContact O-N 3.26Å; S269-V271 VanDerWaalsContact C-N 3.25Å; S269-V271 PolarHBondContact O-N 3.19Å; S269-V271 VanDerWaalsContact O-N 3.08Å
270	Q	35.2	Very low	40.4	Very low	90 Å²	90	101 Å²	101	42%	0.421	53%	0.531	S	S	.	.			trans	-85.9	45.2	-178.7	-64.2	-156.7	11	0	0	114.5	D267 I268 L272 T273	D267-Q270 PolarHBondContact O-N 2.57Å; I268-Q270 PolarHBondContact O-N 2.8Å; Q270-L272 PolarHBondContact O-N 3.11Å; Q270-L272 VanDerWaalsContact O-N 3.14Å; Q270-T273 PolarHBondContact O-N 3.01Å; Q270-T273 VanDerWaalsContact O-N 3.1Å; Q270-T273 PolarHBondContact OE1-OG1 2.85Å; Q270-T273 VanDerWaalsContact OE1-OG1 3.09Å
271	V	35.6	Very low	39.1	Very low	100 Å²	100	100 Å²	100	61%	0.606	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-30.6	178.2	-178.8	0	0	0	0	112.1	I268 S269 I274	I268-V271 WeakPolarHBondContact O-CG2 3.48Å; S269-V271 VanDerWaalsContact C-N 3.25Å; S269-V271 PolarHBondContact O-N 3.19Å; S269-V271 VanDerWaalsContact O-N 3.08Å; V271-I274 HydrophobicContact CG1-CD1 4.48Å; V271-I274 WeakPolarHBondContact O-CB 3.42Å; V271-I274 WeakPolarHBondContact O-CG1 3.31Å; V271-I274 PolarHBondContact O-N 3.2Å
272	L	32.6	Very low	39.6	Very low	165 Å²	165	98 Å²	98	86%	0.864	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-31.3	179.2	-153.9	69.8	0	0	0	113.5	Q270 I274	Q270-L272 PolarHBondContact O-N 3.11Å; Q270-L272 VanDerWaalsContact O-N 3.14Å; L272-I274 PolarHBondContact O-N 2.99Å
273	T	35.2	Very low	41.2	Very low	64 Å²	64	94.1 Å²	94.1	39%	0.393	50%	0.501	S	S	.	.	H	α-helix	trans	-69.6	-21.3	178.7	-47	0	0	0	0	112	Q270 Q275 L276 D277	Q270-T273 PolarHBondContact O-N 3.01Å; Q270-T273 VanDerWaalsContact O-N 3.1Å; Q270-T273 PolarHBondContact OE1-OG1 2.85Å; Q270-T273 VanDerWaalsContact OE1-OG1 3.09Å; T273-Q275 PolarHBondContact O-N 2.71Å; T273-Q275 VanDerWaalsContact O-N 3.16Å; T273-L276 PolarHBondContact O-N 2.96Å; T273-D277 HydrophobicContact CG2-CB 4.45Å; T273-D277 WeakPolarHBondContact O-CB 3.27Å; T273-D277 PolarHBondContact O-N 3.08Å
274	I	38	Very low	43.1	Very low	62 Å²	62	95.9 Å²	95.9	32%	0.318	51%	0.507	S	S	.	.	H	α-helix	trans	-61.1	-27.5	-176.1	-60	178.6	0	0	0	112.5	V271 L272 R278	V271-I274 HydrophobicContact CG1-CD1 4.48Å; V271-I274 WeakPolarHBondContact O-CB 3.42Å; V271-I274 WeakPolarHBondContact O-CG1 3.31Å; V271-I274 PolarHBondContact O-N 3.2Å; L272-I274 PolarHBondContact O-N 2.99Å; I274-R278 VanDerWaalsContact O-CG 3.23Å; I274-R278 WeakPolarHBondContact O-CG 3.27Å; I274-R278 PolarHBondContact O-N 3.48Å
275	Q	28.4	Very low	45.4	Very low	140 Å²	140	97.9 Å²	97.9	65%	0.654	51%	0.513	S	S	*	.	H	α-helix	trans	-74.7	-44.4	178.6	-132.7	75.3	-17.5	0	0	112	T273	T273-Q275 PolarHBondContact O-N 2.71Å; T273-Q275 VanDerWaalsContact O-N 3.16Å
276	L	29.7	Very low	48.2	Very low	118 Å²	118	91.3 Å²	91.3	62%	0.618	48%	0.479	S	S	*	.	H	α-helix	trans	-71.7	-41.2	176.6	-108.8	78.1	0	0	0	112.1	T273 R278 V279 L280	T273-L276 PolarHBondContact O-N 2.96Å; L276-R278 VanDerWaalsContact C-N 3.26Å; L276-R278 PolarHBondContact O-N 3.31Å; L276-V279 CarbonylContact O-C 3.6Å; L276-V279 WeakPolarHBondContact O-CA 3.31Å; L276-V279 WeakPolarHBondContact O-CB 3.28Å; L276-V279 PolarHBondContact O-N 3.12Å; L276-L280 HydrophobicContact CB-CD1 4.37Å; L276-L280 HydrophobicContact CD2-CD1 4.19Å; L276-L280 HydrophobicContact CG-CD1 4.45Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 3.08Å
277	D	33.7	Very low	51	Low	31 Å²	31	83.9 Å²	83.9	17%	0.166	45%	0.446	C	S	.	.	H	α-helix	trans	-75.6	-15	-174.7	-163.8	48.5	0	0	0	112.9	K262 T273 V279 G281 R289	K262-D277 WeakPolarHBondContact CA-OD2 3.49Å; K262-D277 WeakPolarHBondContact CB-OD2 3.45Å; K262-D277 WeakPolarHBondContact CD-OD2 3.38Å; K262-D277 WeakPolarHBondContact CG-OD2 3.48Å; T273-D277 HydrophobicContact CG2-CB 4.45Å; T273-D277 WeakPolarHBondContact O-CB 3.27Å; T273-D277 PolarHBondContact O-N 3.08Å; D277-V279 PolarHBondContact O-N 2.88Å; D277-G281 VanDerWaalsContact O-CA 3.3Å; D277-G281 WeakPolarHBondContact O-CA 3.37Å; D277-G281 PolarHBondContact O-N 3.05Å; D277-R289 IonicContact OD1-NH2 3.86Å
278	R	31.8	Very low	53.9	Low	185 Å²	185	81.3 Å²	81.3	70%	0.698	43%	0.43	S	S	*	.	H	α-helix	trans	-69.4	-19.8	162.8	-81.1	175.6	-175.8	-154	4.4	113.6	I274 L276	I274-R278 VanDerWaalsContact O-CG 3.23Å; I274-R278 WeakPolarHBondContact O-CG 3.27Å; I274-R278 PolarHBondContact O-N 3.48Å; L276-R278 VanDerWaalsContact C-N 3.26Å; L276-R278 PolarHBondContact O-N 3.31Å
279	V	32.1	Very low	56.6	Low	126 Å²	126	76.2 Å²	76.2	76%	0.764	40%	0.401	S	S	*	.	H	α-helix	trans	-100.8	-28.3	178.8	-175.8	0	0	0	0	111.2	L276 D277	L276-V279 CarbonylContact O-C 3.6Å; L276-V279 WeakPolarHBondContact O-CA 3.31Å; L276-V279 WeakPolarHBondContact O-CB 3.28Å; L276-V279 PolarHBondContact O-N 3.12Å; D277-V279 PolarHBondContact O-N 2.88Å
280	L	35.2	Very low	59.5	Low	114 Å²	114	71.4 Å²	71.4	60%	0.597	37%	0.367	S	S	*	.	H	α-helix	trans	-102	-21	-177	-63	170.9	0	0	0	114.4	L276	L276-L280 HydrophobicContact CB-CD1 4.37Å; L276-L280 HydrophobicContact CD2-CD1 4.19Å; L276-L280 HydrophobicContact CG-CD1 4.45Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 3.08Å
281	G	54.9	Low	62.3	Low	23 Å²	23	67.1 Å²	67.1	24%	0.237	35%	0.347	C	S	.	.			trans	-96.9	117.2	-177	0	0	0	0	0	113.8	S261 D277	S261-G281 CarbonylContact O-C 3.49Å; S261-G281 WeakPolarHBondContact O-CA 3.25Å; D277-G281 VanDerWaalsContact O-CA 3.3Å; D277-G281 WeakPolarHBondContact O-CA 3.37Å; D277-G281 PolarHBondContact O-N 3.05Å
282	G	78.6	Confident	65.1	Low	15 Å²	15	64.3 Å²	64.3	16%	0.155	33%	0.334	C	S	.	.			trans	-149	164.3	178	0	0	0	0	0	112.8	S261 N284 K285	S261-G282 PolarHBondContact O-N 3.25Å; G282-N284 WeakPolarHBondContact CA-OD1 3.31Å; G282-N284 PolarHBondContact O-N 3.37Å; G282-K285 PolarHBondContact O-N 3.31Å
283	L	90.4	Very high	68	Low	16 Å²	16	57.1 Å²	57.1	8%	0.084	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.8	-37.4	178.8	179.8	62.1	0	0	0	111.4	K285 V286 V300 L302 L313 V317 F321 L370	L283-K285 PolarHBondContact O-N 2.98Å; L283-K285 VanDerWaalsContact O-N 3.08Å; L283-V286 HydrophobicContact CD1-CG2 4.18Å; L283-V286 WeakPolarHBondContact O-CB 3.47Å; L283-V286 WeakPolarHBondContact O-CG2 3.27Å; L283-V286 PolarHBondContact O-N 2.78Å; L283-V300 HydrophobicContact CD1-CG2 3.84Å; L283-L302 HydrophobicContact CD1-CD2 4.26Å; L283-L302 HydrophobicContact CD2-CD2 4.36Å; L283-L313 HydrophobicContact CD2-CD1 4.33Å; L283-L313 HydrophobicContact CD2-CD2 3.91Å; L283-V317 HydrophobicContact CB-CG1 3.93Å; L283-F321 HydrophobicContact CD1-CD2 3.99Å; L283-F321 HydrophobicContact CD1-CE2 4.09Å; L283-F321 HydrophobicContact CG-CB 4.5Å; L283-F321 HydrophobicContact CG-CD2 3.85Å; L283-F321 HydrophobicContact CG-CE2 4.42Å; L283-F321 HydrophobicContact CG-CG 4.32Å; L283-F321 WeakPolarHBondContact O-CD2 3.42Å; L283-L370 HydrophobicContact CD2-CD1 3.86Å; L283-L370 HydrophobicContact CD2-CD2 4.36Å
284	N	91	Very high	70.8	Confident	53 Å²	53	54 Å²	54	28%	0.283	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-57.1	-20.1	174.2	62.8	-54.1	0	0	0	115	G282 V317	G282-N284 WeakPolarHBondContact CA-OD1 3.31Å; G282-N284 PolarHBondContact O-N 3.37Å; N284-V317 HydrophobicContact CB-CG1 4.11Å
285	K	92.7	Very high	73.6	Confident	73 Å²	73	51.1 Å²	51.1	32%	0.317	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-93.4	-4.5	176.6	-73.3	-63.1	-166.1	169.9	0	114	G282 L283 E288 R289	G282-K285 PolarHBondContact O-N 3.31Å; L283-K285 PolarHBondContact O-N 2.98Å; L283-K285 VanDerWaalsContact O-N 3.08Å; K285-E288 WeakPolarHBondContact CD-OE2 3.47Å; K285-E288 WeakPolarHBondContact CE-OE2 3.37Å; K285-E288 VanDerWaalsContact NZ-CD 3.29Å; K285-E288 IonicContact NZ-OE1 3.74Å; K285-E288 PolarHBondContact NZ-OE1 3.45Å; K285-E288 IonicContact NZ-OE2 3.72Å; K285-E288 PolarHBondContact NZ-OE2 2.8Å; K285-R289 WeakPolarHBondContact O-CG 3.47Å; K285-R289 PolarHBondContact O-N 3.4Å; K285-R289 VanDerWaalsContact O-N 3.14Å
286	V	94.5	Very high	76.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-45.7	-179.9	173.1	0	0	0	0	112.9	M259 L283 E288 R289 A290 F298 V300	M259-V286 HydrophobicContact CB-CG1 3.66Å; M259-V286 HydrophobicContact CG-CG1 4.22Å; L283-V286 HydrophobicContact CD1-CG2 4.18Å; L283-V286 WeakPolarHBondContact O-CB 3.47Å; L283-V286 WeakPolarHBondContact O-CG2 3.27Å; L283-V286 PolarHBondContact O-N 2.78Å; V286-E288 VanDerWaalsContact C-N 3.34Å; V286-E288 PolarHBondContact O-N 3.44Å; V286-R289 PolarHBondContact O-N 3.28Å; V286-A290 WeakPolarHBondContact O-CB 3.48Å; V286-A290 PolarHBondContact O-N 2.88Å; V286-F298 HydrophobicContact CG1-CD2 3.79Å; V286-F298 HydrophobicContact CG1-CE2 3.51Å; V286-F298 HydrophobicContact CG1-CZ 4.21Å; V286-V300 HydrophobicContact CG1-CB 4.4Å; V286-V300 HydrophobicContact CG1-CG2 4.09Å; V286-V300 HydrophobicContact CG2-CG2 4.24Å
287	P	95.1	Very high	80	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-38.6	179.6	-24.5	35.8	0	0	0	113.4	A290 A291 F298 F321 Y328 Y330	P287-A290 PolarHBondContact O-N 3.03Å; P287-A291 PolarHBondContact O-N 3.07Å; P287-F298 HydrophobicContact CG-CZ 4.39Å; P287-F321 HydrophobicContact CG-CD2 3.84Å; P287-F321 HydrophobicContact CG-CE2 3.98Å; P287-Y328 HydrophobicContact CB-CD2 4.02Å; P287-Y330 HydrophobicContact CB-CD2 4.17Å; P287-Y330 HydrophobicContact CB-CE2 4.34Å; P287-Y330 WeakPolarHBondContact O-CE2 3.45Å
288	E	94.9	Very high	83	Confident	70 Å²	70	37.8 Å²	37.8	33%	0.327	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-43.3	176	-179.3	177.2	161.2	0	0	111.8	L235 K285 V286 A291 A292 Y328	L235-E288 HydrophobicContact CD1-CG 4.3Å; K285-E288 WeakPolarHBondContact CD-OE2 3.47Å; K285-E288 WeakPolarHBondContact CE-OE2 3.37Å; K285-E288 VanDerWaalsContact NZ-CD 3.29Å; K285-E288 IonicContact NZ-OE1 3.74Å; K285-E288 PolarHBondContact NZ-OE1 3.45Å; K285-E288 IonicContact NZ-OE2 3.72Å; K285-E288 PolarHBondContact NZ-OE2 2.8Å; V286-E288 VanDerWaalsContact C-N 3.34Å; V286-E288 PolarHBondContact O-N 3.44Å; E288-A291 PolarHBondContact O-N 3.48Å; E288-A292 WeakPolarHBondContact O-CB 3.43Å; E288-A292 PolarHBondContact O-N 2.92Å; E288-Y328 VanDerWaalsContact CA-CE2 3.44Å; E288-Y328 HydrophobicContact CB-CE2 3.66Å; E288-Y328 HydrophobicContact CG-CE2 4.28Å
289	R	93.9	Very high	86	Confident	55 Å²	55	29 Å²	29	21%	0.208	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-41.7	175.8	-72.4	172.9	175.7	150.3	-11.1	112.2	S261 D277 K285 V286 A291 A292 T293	S261-R289 PolarHBondContact O-NH1 2.82Å; D277-R289 IonicContact OD1-NH2 3.86Å; K285-R289 WeakPolarHBondContact O-CG 3.47Å; K285-R289 PolarHBondContact O-N 3.4Å; K285-R289 VanDerWaalsContact O-N 3.14Å; V286-R289 PolarHBondContact O-N 3.28Å; R289-A291 VanDerWaalsContact C-N 3.3Å; R289-A291 PolarHBondContact O-N 3.48Å; R289-A292 PolarHBondContact O-N 3.25Å; R289-T293 PolarHBondContact O-N 3.04Å; R289-T293 PolarHBondContact O-OG1 3.31Å
290	A	95.4	Very high	89	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.6	-45.3	174.9	0	0	0	0	0	111	M259 V286 P287 T293 G294 C295 F298 Y330	M259-A290 HydrophobicContact CG-CB 4.03Å; M259-A290 HydrophobicContact SD-CB 4.3Å; V286-A290 WeakPolarHBondContact O-CB 3.48Å; V286-A290 PolarHBondContact O-N 2.88Å; P287-A290 PolarHBondContact O-N 3.03Å; A290-T293 PolarHBondContact O-N 2.95Å; A290-G294 PolarHBondContact O-N 3.44Å; A290-C295 HydrophobicContact CB-CB 4.04Å; A290-C295 VanDerWaalsContact O-CB 3.23Å; A290-C295 WeakPolarHBondContact O-CB 3.33Å; A290-C295 PolarHBondContact O-N 3.1Å; A290-F298 HydrophobicContact CB-CB 4.09Å; A290-F298 HydrophobicContact CB-CD1 3.52Å; A290-F298 HydrophobicContact CB-CE1 4.09Å; A290-F298 HydrophobicContact CB-CG 3.88Å; A290-Y330 HydrophobicContact CB-CE2 4.2Å; A290-Y330 VanDerWaalsContact CB-OH 3.32Å; A290-Y330 WeakPolarHBondContact CB-OH 3.39Å
291	A	94.9	Very high	91.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.3	-41.5	176.4	0	0	0	0	0	112	W232 L235 A236 P287 E288 R289 T293 G294 Y328 Y330	W232-A291 HydrophobicContact CG-CB 4.06Å; L235-A291 HydrophobicContact CB-CB 4.34Å; L235-A291 HydrophobicContact CD1-CB 3.96Å; A236-A291 WeakPolarHBondContact CA-O 2.92Å; A236-A291 PolarHBondContact N-O 2.6Å; P287-A291 PolarHBondContact O-N 3.07Å; E288-A291 PolarHBondContact O-N 3.48Å; R289-A291 VanDerWaalsContact C-N 3.3Å; R289-A291 PolarHBondContact O-N 3.48Å; A291-T293 VanDerWaalsContact C-N 3.27Å; A291-T293 PolarHBondContact O-N 2.96Å; A291-G294 PolarHBondContact O-N 3.29Å; A291-G294 VanDerWaalsContact O-N 3.08Å; A291-Y328 HydrophobicContact CB-CD1 3.86Å; A291-Y328 HydrophobicContact CB-CE1 4.47Å; A291-Y328 HydrophobicContact CB-CG 3.94Å; A291-Y330 WeakPolarHBondContact CA-OH 3.46Å; A291-Y330 HydrophobicContact CB-CE2 4.47Å; A291-Y330 PolarHBondContact N-OH 3.33Å
292	A	94	Very high	93.3	Very high	40 Å²	40	19.5 Å²	19.5	33%	0.331	10%	0.101	S	C	.	.	H	α-helix	trans	-64.9	-25.3	176	0	0	0	0	0	114.2	L235 A239 E288 R289	L235-A292 HydrophobicContact CB-CB 4.39Å; A239-A292 WeakPolarHBondContact CB-O 3.46Å; E288-A292 WeakPolarHBondContact O-CB 3.43Å; E288-A292 PolarHBondContact O-N 2.92Å; R289-A292 PolarHBondContact O-N 3.25Å
293	T	94	Very high	93.7	Very high	14 Å²	14	20.2 Å²	20.2	9%	0.086	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	4.3	173.6	-67.7	0	0	0	0	112.6	M259 R289 A290 A291 C295 E552 I555	M259-T293 HydrophobicContact CE-CG2 4.32Å; R289-T293 PolarHBondContact O-N 3.04Å; R289-T293 PolarHBondContact O-OG1 3.31Å; A290-T293 PolarHBondContact O-N 2.95Å; A291-T293 VanDerWaalsContact C-N 3.27Å; A291-T293 PolarHBondContact O-N 2.96Å; T293-C295 VanDerWaalsContact C-N 3.34Å; T293-C295 PolarHBondContact O-N 3.43Å; T293-E552 WeakPolarHBondContact CA-OE1 3.49Å; T293-E552 VanDerWaalsContact CB-OE1 3.26Å; T293-E552 WeakPolarHBondContact CB-OE1 3.27Å; T293-E552 HydrophobicContact CG2-CG 4.09Å; T293-E552 VanDerWaalsContact CG2-OE1 3.26Å; T293-E552 WeakPolarHBondContact CG2-OE1 3.38Å; T293-E552 PolarHBondContact OG1-OE1 2.84Å; T293-I555 HydrophobicContact CG2-CD1 3.93Å; T293-I555 WeakPolarHBondContact O-CD1 3.22Å
294	G	94.6	Very high	93.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	18.2	179	0	0	0	0	0	115	W232 A290 A291 R296	W232-G294 WeakPolarHBondContact CZ2-O 3.28Å; A290-G294 PolarHBondContact O-N 3.44Å; A291-G294 PolarHBondContact O-N 3.29Å; A291-G294 VanDerWaalsContact O-N 3.08Å; G294-R296 PolarHBondContact O-N 2.93Å
295	C	96.2	Very high	93.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.			trans	-72.1	124.6	-179.9	-65.5	0	0	0	0	111.8	W232 G257 A290 T293 A297 Y330 I555	W232-C295 WeakPolarHBondContact CZ2-O 3.49Å; W232-C295 PolarHBondContact NE1-O 3.39Å; G257-C295 PolarHBondContact N-SG 2.98Å; G257-C295 VanDerWaalsContact N-SG 3.37Å; A290-C295 HydrophobicContact CB-CB 4.04Å; A290-C295 VanDerWaalsContact O-CB 3.23Å; A290-C295 WeakPolarHBondContact O-CB 3.33Å; A290-C295 PolarHBondContact O-N 3.1Å; T293-C295 VanDerWaalsContact C-N 3.34Å; T293-C295 PolarHBondContact O-N 3.43Å; C295-A297 WeakPolarHBondContact CB-O 3.48Å; C295-Y330 VanDerWaalsContact O-CE1 3.31Å; C295-Y330 WeakPolarHBondContact O-CE1 3.39Å; C295-Y330 PolarHBondContact O-OH 2.97Å; C295-I555 VanDerWaalsContact SG-CD1 3.55Å
296	R	95.8	Very high	93	Very high	9 Å²	9	24 Å²	24	3%	0.034	12%	0.121	C	C	.	.	S	Bend	trans	-89.2	-18.1	170.6	-68.6	-172.4	69.1	-152.7	21.2	113.6	W232 M248 S251 K253 V255 G294 Q334 Y559	W232-R296 HydrophobicContact CH2-CG 4.17Å; W232-R296 HydrophobicContact CZ2-CG 3.88Å; M248-R296 PolarHBondContact O-NH1 3.42Å; M248-R296 PolarHBondContact O-NH2 2.87Å; S251-R296 PolarHBondContact O-NH1 3.25Å; S251-R296 PolarHBondContact O-NH2 3.16Å; K253-R296 PolarHBondContact O-NH1 3.31Å; V255-R296 PolarHBondContact O-N 3.33Å; G294-R296 PolarHBondContact O-N 2.93Å; R296-Q334 PolarHBondContact O-NE2 3.44Å; R296-Y559 WeakPolarHBondContact CD-OH 3.32Å
297	A	96.2	Very high	92.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-139.2	162.5	160.4	0	0	0	0	0	108.9	L254 G256 C295 Q334 P541 I543	L254-A297 HydrophobicContact CB-CB 3.93Å; L254-A297 VanDerWaalsContact O-CB 3.29Å; L254-A297 WeakPolarHBondContact O-CB 3.34Å; G256-A297 VanDerWaalsContact CA-O 3.22Å; G256-A297 WeakPolarHBondContact CA-O 3.19Å; C295-A297 WeakPolarHBondContact CB-O 3.48Å; A297-Q334 CarbonylContact C-O 3.53Å; A297-Q334 WeakPolarHBondContact CA-O 3.31Å; A297-Q334 HydrophobicContact CB-CB 4.21Å; A297-Q334 WeakPolarHBondContact CB-O 3.46Å; A297-P541 HydrophobicContact CB-CB 3.94Å; A297-P541 HydrophobicContact CB-CG 4.4Å; A297-I543 HydrophobicContact CB-CD1 3.92Å
298	F	97	Very high	92.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.7	176.2	61.8	-93	0	0	0	113.6	G257 M259 V286 P287 A290 V300 F321 Y330 Q334 I335 L336	G257-F298 WeakPolarHBondContact O-CA 3.4Å; G257-F298 WeakPolarHBondContact O-CB 3.41Å; M259-F298 HydrophobicContact CG-CB 3.76Å; M259-F298 HydrophobicContact CG-CD2 4.33Å; M259-F298 HydrophobicContact CG-CG 4.24Å; V286-F298 HydrophobicContact CG1-CD2 3.79Å; V286-F298 HydrophobicContact CG1-CE2 3.51Å; V286-F298 HydrophobicContact CG1-CZ 4.21Å; P287-F298 HydrophobicContact CG-CZ 4.39Å; A290-F298 HydrophobicContact CB-CB 4.09Å; A290-F298 HydrophobicContact CB-CD1 3.52Å; A290-F298 HydrophobicContact CB-CE1 4.09Å; A290-F298 HydrophobicContact CB-CG 3.88Å; F298-V300 HydrophobicContact CD2-CB 4.26Å; F298-V300 HydrophobicContact CD2-CG1 4.35Å; F298-V300 HydrophobicContact CE2-CB 4.35Å; F298-V300 HydrophobicContact CE2-CG1 4.13Å; F298-F321 HydrophobicContact CE2-CE2 4.25Å; F298-F321 HydrophobicContact CE2-CZ 4.44Å; F298-F321 HydrophobicContact CZ-CE2 4.21Å; F298-F321 HydrophobicContact CZ-CZ 4.29Å; F298-Y330 HydrophobicContact CD1-CD1 4Å; F298-Y330 AromaticContact CD1-CE1 3.83Å; F298-Y330 HydrophobicContact CD1-CE1 3.83Å; F298-Y330 HydrophobicContact CD1-CE2 4.38Å; F298-Y330 HydrophobicContact CD1-CG 4.36Å; F298-Y330 AromaticContact CE1-CD1 3.84Å; F298-Y330 HydrophobicContact CE1-CD1 3.84Å; F298-Y330 AromaticContact CE1-CD2 3.82Å; F298-Y330 HydrophobicContact CE1-CD2 3.82Å; F298-Y330 HydrophobicContact CE1-CE1 4.03Å; F298-Y330 AromaticContact CE1-CE2 4Å; F298-Y330 HydrophobicContact CE1-CE2 4Å; F298-Y330 AromaticContact CE1-CG 3.73Å; F298-Y330 HydrophobicContact CE1-CG 3.73Å; F298-Q334 PolarHBondContact N-O 2.82Å; F298-I335 HydrophobicContact CD1-CG1 4.47Å; F298-I335 HydrophobicContact CD2-CG2 4.22Å; F298-I335 HydrophobicContact CE1-CD1 4.18Å; F298-I335 HydrophobicContact CE1-CG1 3.81Å; F298-I335 HydrophobicContact CE2-CG1 4.27Å; F298-I335 HydrophobicContact CE2-CG2 3.64Å; F298-I335 HydrophobicContact CZ-CB 4.4Å; F298-I335 HydrophobicContact CZ-CD1 3.82Å; F298-I335 HydrophobicContact CZ-CG1 3.7Å; F298-I335 HydrophobicContact CZ-CG2 3.9Å; F298-L336 PolarHBondContact O-N 3.02Å
299	G	95.2	Very high	92.6	Very high	1 Å²	1	34 Å²	34	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	153.3	165.2	0	0	0	0	0	110.9	G257 M259 L336	G257-G299 PolarHBondContact O-N 3.39Å; G257-G299 VanDerWaalsContact O-N 3.1Å; M259-G299 PolarHBondContact N-O 2.66Å; G299-L336 VanDerWaalsContact CA-O 3.27Å; G299-L336 WeakPolarHBondContact CA-O 3.44Å
300	V	94.2	Very high	92.4	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	137.7	175.1	60.8	0	0	0	0	113	L283 V286 F298 L302 I335 L336 P337 H338	L283-V300 HydrophobicContact CD1-CG2 3.84Å; V286-V300 HydrophobicContact CG1-CB 4.4Å; V286-V300 HydrophobicContact CG1-CG2 4.09Å; V286-V300 HydrophobicContact CG2-CG2 4.24Å; F298-V300 HydrophobicContact CD2-CB 4.26Å; F298-V300 HydrophobicContact CD2-CG1 4.35Å; F298-V300 HydrophobicContact CE2-CB 4.35Å; F298-V300 HydrophobicContact CE2-CG1 4.13Å; V300-L302 HydrophobicContact CG1-CD2 3.95Å; V300-I335 HydrophobicContact CG1-CG2 4.19Å; V300-L336 PolarHBondContact N-O 3.38Å; V300-L336 VanDerWaalsContact N-O 3.14Å; V300-P337 CarbonylContact O-C 3.59Å; V300-P337 VanDerWaalsContact O-CA 3.27Å; V300-P337 WeakPolarHBondContact O-CA 3.21Å; V300-H338 PolarHBondContact O-N 2.93Å
301	F	91.5	Very high	92	Very high	47 Å²	47	37.3 Å²	37.3	21%	0.206	19%	0.194	C	C	.	.			trans	-83.2	116.3	163.8	-72.2	-65.4	0	0	0	109.3	H258 R303 N305 H338 Y341	H258-F301 AromaticContact CE1-CD2 3.25Å; H258-F301 WeakPolarHBondContact CE1-CD2 3Å; H258-F301 AromaticContact CE1-CE2 3.49Å; H258-F301 VanDerWaalsContact CE1-CE2 3.49Å; H258-F301 WeakPolarHBondContact CE1-CE2 3.45Å; H258-F301 AromaticContact CE1-CG 3.89Å; H258-F301 PolarHBondContact CE1-N 3.47Å; H258-F301 VanDerWaalsContact CE1-N 3.34Å; H258-F301 AromaticContact NE2-CD2 3.61Å; H258-F301 AromaticContact NE2-CE2 3.54Å; H258-F301 AromaticContact NE2-CZ 3.93Å; F301-R303 WeakPolarHBondContact CB-O 3.22Å; F301-R303 PolarHBondContact O-N 3.26Å; F301-N305 HydrophobicContact CD1-CB 3.74Å; F301-N305 HydrophobicContact CE1-CB 3.78Å; F301-N305 WeakPolarHBondContact CE2-ND2 3.41Å; F301-N305 HydrophobicContact CG-CB 4.18Å; F301-N305 HydrophobicContact CZ-CB 4.27Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.32Å; F301-H338 HydrophobicContact CD1-CB 4.04Å; F301-H338 VanDerWaalsContact CD1-O 3.27Å; F301-H338 WeakPolarHBondContact CD1-O 3.32Å; F301-H338 HydrophobicContact CE1-CB 3.66Å; F301-H338 AromaticContact CE1-CG 3.74Å; F301-H338 AromaticContact CE1-ND1 3.59Å; F301-H338 HydrophobicContact CZ-CB 4.13Å; F301-Y341 HydrophobicContact CZ-CE1 4.31Å; F301-Y341 AromaticContact CZ-CE2 3.96Å; F301-Y341 HydrophobicContact CZ-CE2 3.96Å; F301-Y341 AromaticContact CZ-CZ 3.72Å
302	L	89.1	Confident	91.6	Very high	16 Å²	16	43 Å²	43	8%	0.084	23%	0.229	C	C	.	.	S	Bend	trans	-70.5	-12.9	179.5	-58.3	-177.3	0	0	0	113.4	L283 V300 P337 L366 C367 L370 L372	L283-L302 HydrophobicContact CD1-CD2 4.26Å; L283-L302 HydrophobicContact CD2-CD2 4.36Å; V300-L302 HydrophobicContact CG1-CD2 3.95Å; L302-P337 HydrophobicContact CD1-CB 3.96Å; L302-P337 HydrophobicContact CD1-CG 4.26Å; L302-P337 HydrophobicContact CD2-CB 4.44Å; L302-P337 HydrophobicContact CD2-CG 4.44Å; L302-P337 HydrophobicContact CG-CB 4.03Å; L302-P337 HydrophobicContact CG-CG 4.47Å; L302-L366 HydrophobicContact CB-CD2 3.79Å; L302-L366 HydrophobicContact CD1-CB 4.4Å; L302-L366 HydrophobicContact CD1-CD2 4.32Å; L302-L366 HydrophobicContact CD1-CG 4.22Å; L302-C367 VanDerWaalsContact CD1-SG 3.59Å; L302-L370 HydrophobicContact CD1-CD1 4.09Å; L302-L370 HydrophobicContact CD2-CD1 3.71Å; L302-L370 HydrophobicContact CG-CD1 4.43Å; L302-L372 HydrophobicContact CD2-CD1 4.16Å
303	R	87.6	Confident	91.2	Very high	30 Å²	30	42.5 Å²	42.5	11%	0.113	22%	0.22	C	C	.	.	S	Bend	trans	-157.9	174.4	-179.8	50.8	169	-81.7	99.5	1.1	110.3	F301 N305 T307 K309 E363	F301-R303 WeakPolarHBondContact CB-O 3.22Å; F301-R303 PolarHBondContact O-N 3.26Å; R303-N305 PolarHBondContact O-N 3.05Å; R303-T307 PolarHBondContact NH2-O 3.35Å; R303-K309 VanDerWaalsContact CZ-O 3.26Å; R303-K309 PolarHBondContact NH1-O 2.92Å; R303-K309 PolarHBondContact NH2-O 3Å; R303-E363 WeakPolarHBondContact CD-OE1 3.13Å; R303-E363 HydrophobicContact CG-CG 4.26Å; R303-E363 IonicContact NE-OE1 3.99Å; R303-E363 PolarHBondContact NE-OE1 2.88Å
304	S	87.3	Confident	91	Very high	61 Å²	61	46.3 Å²	46.3	43%	0.427	24%	0.24	S	C	.	.			trans	-62.1	122.7	174.1	174.8	0	0	0	0	111.4	F306	S304-F306 VanDerWaalsContact C-N 3.25Å; S304-F306 PolarHBondContact O-N 2.79Å; S304-F306 PolarHBondContact OG-N 3.5Å
305	N	85.9	Confident	90.8	Very high	21 Å²	21	49.5 Å²	49.5	11%	0.112	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	2.6	178.2	58.9	-27.1	0	0	0	114.1	F301 R303 S340 Y341	F301-N305 HydrophobicContact CD1-CB 3.74Å; F301-N305 HydrophobicContact CE1-CB 3.78Å; F301-N305 WeakPolarHBondContact CE2-ND2 3.41Å; F301-N305 HydrophobicContact CG-CB 4.18Å; F301-N305 HydrophobicContact CZ-CB 4.27Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.32Å; R303-N305 PolarHBondContact O-N 3.05Å; N305-S340 PolarHBondContact O-OG 2.87Å; N305-Y341 HydrophobicContact CB-CD2 4.31Å; N305-Y341 WeakPolarHBondContact ND2-CD2 3.22Å; N305-Y341 WeakPolarHBondContact ND2-CE2 3.39Å
306	F	84.9	Confident	90.5	Very high	138 Å²	138	56.7 Å²	56.7	61%	0.605	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	10.4	-179.9	-62.4	-69.8	0	0	0	113.7	S304 Y341	S304-F306 VanDerWaalsContact C-N 3.25Å; S304-F306 PolarHBondContact O-N 2.79Å; S304-F306 PolarHBondContact OG-N 3.5Å; F306-Y341 HydrophobicContact CE1-CD2 4.45Å
307	T	90.4	Very high	90.3	Very high	55 Å²	55	57.9 Å²	57.9	34%	0.337	30%	0.295	S	S	.	.			trans	-142.4	147.1	179.5	-171.4	0	0	0	0	113.1	R303 K309 L342	R303-T307 PolarHBondContact NH2-O 3.35Å; T307-K309 VanDerWaalsContact C-N 3.31Å; T307-K309 HydrophobicContact CG2-CB 4.29Å; T307-K309 PolarHBondContact OG1-N 3.05Å; T307-L342 VanDerWaalsContact C-CD1 3.44Å
308	W	93.6	Very high	90	Very high	68 Å²	68	57.9 Å²	57.9	26%	0.258	30%	0.295	S	S	.	.			trans	-78.9	-11.5	169.3	-65.5	117.1	0	0	0	113.4	L310 L342 L343 V352 K355	W308-L310 PolarHBondContact O-N 3.16Å; W308-L342 HydrophobicContact CD2-CB 4.33Å; W308-L342 HydrophobicContact CD2-CD1 3.98Å; W308-L342 HydrophobicContact CE3-CB 4.39Å; W308-L342 HydrophobicContact CE3-CD1 4.49Å; W308-L342 HydrophobicContact CG-CD1 4.13Å; W308-L342 HydrophobicContact CH2-CB 3.8Å; W308-L342 WeakPolarHBondContact CH2-O 3.29Å; W308-L342 HydrophobicContact CZ2-CB 3.68Å; W308-L342 WeakPolarHBondContact CZ2-O 3.23Å; W308-L342 HydrophobicContact CZ3-CB 4.14Å; W308-L343 HydrophobicContact CZ3-CD2 4.47Å; W308-V352 HydrophobicContact CZ2-CG1 4.38Å; W308-K355 HydrophobicContact CB-CD 4.49Å; W308-K355 HydrophobicContact CD2-CB 3.89Å; W308-K355 HydrophobicContact CD2-CD 4Å; W308-K355 HydrophobicContact CD2-CG 4.36Å; W308-K355 HydrophobicContact CE3-CB 3.67Å; W308-K355 HydrophobicContact CE3-CG 4.49Å; W308-K355 HydrophobicContact CG-CD 3.96Å; W308-K355 HydrophobicContact CH2-CB 3.96Å; W308-K355 HydrophobicContact CZ2-CB 4.18Å; W308-K355 HydrophobicContact CZ3-CB 3.71Å
309	K	91.9	Very high	89.7	Confident	157 Å²	157	63.7 Å²	63.7	68%	0.683	32%	0.317	S	S	*	.			trans	-66.8	104.2	-177.7	-177.7	179.1	178.8	177.8	0	110.7	R303 T307	R303-K309 VanDerWaalsContact CZ-O 3.26Å; R303-K309 PolarHBondContact NH1-O 2.92Å; R303-K309 PolarHBondContact NH2-O 3Å; T307-K309 VanDerWaalsContact C-N 3.31Å; T307-K309 HydrophobicContact CG2-CB 4.29Å; T307-K309 PolarHBondContact OG1-N 3.05Å
310	L	90.8	Very high	89.6	Confident	55 Å²	55	64.7 Å²	64.7	29%	0.288	33%	0.327	S	S	.	.			trans	-74.7	141.1	170.1	-53.5	-176.9	0	0	0	109.6	W308 T358 T359 Y362	W308-L310 PolarHBondContact O-N 3.16Å; L310-T358 HydrophobicContact CD1-CG2 4.01Å; L310-T359 HydrophobicContact CD2-CG2 4.07Å; L310-Y362 HydrophobicContact CD1-CD1 4.47Å; L310-Y362 HydrophobicContact CD1-CD2 4.17Å; L310-Y362 HydrophobicContact CD1-CG 3.89Å; L310-Y362 HydrophobicContact CD2-CD1 3.9Å; L310-Y362 HydrophobicContact CD2-CE1 4.48Å; L310-Y362 HydrophobicContact CD2-CG 4.15Å; L310-Y362 HydrophobicContact CG-CG 4.44Å
311	S	85.9	Confident	89.6	Confident	70 Å²	70	64.6 Å²	64.6	49%	0.49	33%	0.326	S	S	.	.			trans	-145.5	124.2	-177.7	56.1	0	0	0	0	108.9	L313 Y362	S311-L313 PolarHBondContact O-N 3.32Å; S311-Y362 PolarHBondContact O-OH 3.33Å
312	T	87.1	Confident	89.7	Confident	121 Å²	121	65.5 Å²	65.5	74%	0.742	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-54	121.6	179.8	-52.3	0	0	0	0	110.7	D314	T312-D314 PolarHBondContact O-N 3.34Å
313	L	86.4	Confident	89.9	Confident	28 Å²	28	68.9 Å²	68.9	15%	0.147	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-66.4	126.7	169.9	-176.6	67.1	0	0	0	109.5	L283 S311 V317 A318 L366 R369 L370	L283-L313 HydrophobicContact CD2-CD1 4.33Å; L283-L313 HydrophobicContact CD2-CD2 3.91Å; S311-L313 PolarHBondContact O-N 3.32Å; L313-V317 HydrophobicContact CD1-CB 4.05Å; L313-V317 HydrophobicContact CD1-CG1 3.83Å; L313-A318 HydrophobicContact CD2-CB 3.84Å; L313-A318 HydrophobicContact CG-CB 4.36Å; L313-L366 HydrophobicContact CB-CD1 3.79Å; L313-L366 HydrophobicContact CD2-CD1 3.75Å; L313-L366 HydrophobicContact CG-CD1 4.42Å; L313-R369 PolarHBondContact O-NH2 3.4Å; L313-L370 HydrophobicContact CD2-CD1 4.4Å; L313-L370 HydrophobicContact CD2-CD2 3.84Å; L313-L370 HydrophobicContact CD2-CG 4.4Å
314	D	89.3	Confident	90.2	Very high	94 Å²	94	67.8 Å²	67.8	50%	0.503	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-59.5	130.4	172.7	178.7	-8.3	0	0	0	110.4	T312 K316 V317 A318	T312-D314 PolarHBondContact O-N 3.34Å; D314-K316 PolarHBondContact O-N 3.4Å; D314-K316 WeakPolarHBondContact OD1-CB 3.19Å; D314-K316 PolarHBondContact OD1-N 3.12Å; D314-V317 HydrophobicContact CB-CB 4.43Å; D314-V317 HydrophobicContact CB-CG2 4.06Å; D314-V317 WeakPolarHBondContact O-CA 3.21Å; D314-V317 WeakPolarHBondContact O-CB 3.16Å; D314-V317 PolarHBondContact O-N 2.9Å; D314-A318 PolarHBondContact O-N 2.86Å
315	E	89.7	Confident	90.5	Very high	68 Å²	68	64.9 Å²	64.9	32%	0.318	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-23.9	177.7	-81.7	-58.6	141.2	0	0	113.7	V317 R319 R322 R369	E315-V317 VanDerWaalsContact C-N 3.35Å; E315-R319 WeakPolarHBondContact O-CB 3.46Å; E315-R319 WeakPolarHBondContact O-CG 3.2Å; E315-R319 PolarHBondContact O-N 3.48Å; E315-R322 IonicContact OE2-NH1 3.4Å; E315-R322 IonicContact OE2-NH2 3.55Å; E315-R369 IonicContact OE1-CZ 2.67Å; E315-R369 IonicContact OE1-NE 3.18Å; E315-R369 PolarHBondContact OE1-NE 2.94Å; E315-R369 VanDerWaalsContact OE1-NE 3.17Å; E315-R369 IonicContact OE1-NH2 2.67Å; E315-R369 PolarHBondContact OE1-NH2 3.32Å
316	K	90.7	Very high	90.8	Very high	151 Å²	151	68.3 Å²	68.3	66%	0.657	34%	0.339	S	S	*	.	H	α-helix	trans	-65.2	-40	169.8	-173.6	-179.2	178.6	-178.1	0	111.3	D314 G320	D314-K316 PolarHBondContact O-N 3.4Å; D314-K316 WeakPolarHBondContact OD1-CB 3.19Å; D314-K316 PolarHBondContact OD1-N 3.12Å; K316-G320 PolarHBondContact O-N 3.16Å
317	V	91.2	Very high	91.2	Very high	34 Å²	34	66.4 Å²	66.4	21%	0.206	33%	0.333	C	S	.	.	H	α-helix	trans	-73.1	-40.5	176.6	-178.1	0	0	0	0	110.5	L283 N284 L313 D314 E315 G320 F321	L283-V317 HydrophobicContact CB-CG1 3.93Å; N284-V317 HydrophobicContact CB-CG1 4.11Å; L313-V317 HydrophobicContact CD1-CB 4.05Å; L313-V317 HydrophobicContact CD1-CG1 3.83Å; D314-V317 HydrophobicContact CB-CB 4.43Å; D314-V317 HydrophobicContact CB-CG2 4.06Å; D314-V317 WeakPolarHBondContact O-CA 3.21Å; D314-V317 WeakPolarHBondContact O-CB 3.16Å; D314-V317 PolarHBondContact O-N 2.9Å; E315-V317 VanDerWaalsContact C-N 3.35Å; V317-G320 PolarHBondContact O-N 3.17Å; V317-F321 PolarHBondContact O-N 2.72Å
318	A	90.1	Very high	91.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-43.1	176.2	0	0	0	0	0	112.3	L313 D314 F321 R322 L370	L313-A318 HydrophobicContact CD2-CB 3.84Å; L313-A318 HydrophobicContact CG-CB 4.36Å; D314-A318 PolarHBondContact O-N 2.86Å; A318-F321 PolarHBondContact O-N 2.89Å; A318-R322 WeakPolarHBondContact O-CG 3.4Å; A318-R322 PolarHBondContact O-N 2.9Å; A318-L370 HydrophobicContact CB-CD2 4Å
319	R	91.7	Very high	91.3	Very high	122 Å²	122	61.9 Å²	61.9	46%	0.46	31%	0.313	S	S	.	.	H	α-helix	trans	-58	-57.3	170.3	-80.3	-173.4	-66.5	-88.8	1.2	111.1	E315 F321 R322 D323	E315-R319 WeakPolarHBondContact O-CB 3.46Å; E315-R319 WeakPolarHBondContact O-CG 3.2Å; E315-R319 PolarHBondContact O-N 3.48Å; R319-F321 PolarHBondContact O-N 3.03Å; R319-R322 CarbonylContact O-C 3.55Å; R319-R322 WeakPolarHBondContact O-CA 3.44Å; R319-R322 PolarHBondContact O-N 3.41Å; R319-D323 VanDerWaalsContact C-OD2 3.31Å; R319-D323 PolarHBondContact O-N 3.08Å
320	G	92.5	Very high	91.3	Very high	21 Å²	21	54.5 Å²	54.5	22%	0.216	28%	0.28	C	S	.	.	H	α-helix	trans	-57.4	-30	-177.9	0	0	0	0	0	114.3	K316 V317 G324	K316-G320 PolarHBondContact O-N 3.16Å; V317-G320 PolarHBondContact O-N 3.17Å; G320-G324 PolarHBondContact O-N 3.25Å
321	F	93.2	Very high	91.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.9	-48.2	170.1	177.1	-92	0	0	0	112.2	L283 P287 F298 V317 A318 R319 G324 C325 I335 L370 L372	L283-F321 HydrophobicContact CD1-CD2 3.99Å; L283-F321 HydrophobicContact CD1-CE2 4.09Å; L283-F321 HydrophobicContact CG-CB 4.5Å; L283-F321 HydrophobicContact CG-CD2 3.85Å; L283-F321 HydrophobicContact CG-CE2 4.42Å; L283-F321 HydrophobicContact CG-CG 4.32Å; L283-F321 WeakPolarHBondContact O-CD2 3.42Å; P287-F321 HydrophobicContact CG-CD2 3.84Å; P287-F321 HydrophobicContact CG-CE2 3.98Å; F298-F321 HydrophobicContact CE2-CE2 4.25Å; F298-F321 HydrophobicContact CE2-CZ 4.44Å; F298-F321 HydrophobicContact CZ-CE2 4.21Å; F298-F321 HydrophobicContact CZ-CZ 4.29Å; V317-F321 PolarHBondContact O-N 2.72Å; A318-F321 PolarHBondContact O-N 2.89Å; R319-F321 PolarHBondContact O-N 3.03Å; F321-G324 PolarHBondContact O-N 3.25Å; F321-C325 VanDerWaalsContact CE1-SG 3.6Å; F321-C325 PolarHBondContact O-N 3.37Å; F321-C325 PolarHBondContact O-SG 3.03Å; F321-I335 HydrophobicContact CZ-CD1 4.21Å; F321-I335 HydrophobicContact CZ-CG2 4.34Å; F321-L370 HydrophobicContact CB-CD2 4.26Å; F321-L370 HydrophobicContact CD1-CB 4.2Å; F321-L370 HydrophobicContact CD1-CD2 3.73Å; F321-L370 HydrophobicContact CD1-CG 4.41Å; F321-L370 HydrophobicContact CE1-CB 4.14Å; F321-L370 HydrophobicContact CE1-CD2 4.43Å; F321-L370 HydrophobicContact CG-CD2 4.18Å; F321-L372 HydrophobicContact CE1-CD1 4.06Å; F321-L372 HydrophobicContact CE1-CD2 3.99Å; F321-L372 HydrophobicContact CE1-CG 4.31Å; F321-L372 HydrophobicContact CZ-CD1 4.12Å; F321-L372 HydrophobicContact CZ-CD2 4.3Å
322	R	93.7	Very high	91.4	Very high	66 Å²	66	53.1 Å²	53.1	25%	0.249	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-43.7	178.4	-66.5	-177.6	-57.6	-106.7	3.1	111.4	E315 A318 R319 G324 C325 Q326 R369	E315-R322 IonicContact OE2-NH1 3.4Å; E315-R322 IonicContact OE2-NH2 3.55Å; A318-R322 WeakPolarHBondContact O-CG 3.4Å; A318-R322 PolarHBondContact O-N 2.9Å; R319-R322 CarbonylContact O-C 3.55Å; R319-R322 WeakPolarHBondContact O-CA 3.44Å; R319-R322 PolarHBondContact O-N 3.41Å; R322-G324 PolarHBondContact O-N 3.03Å; R322-C325 WeakPolarHBondContact O-CB 3.38Å; R322-C325 PolarHBondContact O-N 3.19Å; R322-Q326 PolarHBondContact O-N 3.1Å; R322-R369 PolarHBondContact NH1-O 2.95Å
323	D	94	Very high	91.4	Very high	87 Å²	87	48.4 Å²	48.4	47%	0.465	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-44.4	177.5	-53.2	-23.6	0	0	0	110.4	R319 Q326 Q327	R319-D323 VanDerWaalsContact C-OD2 3.31Å; R319-D323 PolarHBondContact O-N 3.08Å; D323-Q326 PolarHBondContact O-N 3.15Å; D323-Q327 WeakPolarHBondContact O-CB 3.2Å; D323-Q327 PolarHBondContact O-N 3.44Å
324	G	94.2	Very high	91.8	Very high	7 Å²	7	47.5 Å²	47.5	7%	0.072	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-44	172.7	0	0	0	0	0	112.9	G320 F321 R322 Q326 Q327 Y328	G320-G324 PolarHBondContact O-N 3.25Å; F321-G324 PolarHBondContact O-N 3.25Å; R322-G324 PolarHBondContact O-N 3.03Å; G324-Q326 VanDerWaalsContact C-N 3.31Å; G324-Q326 PolarHBondContact O-N 3.27Å; G324-Q327 PolarHBondContact O-N 2.85Å; G324-Y328 WeakPolarHBondContact O-CD2 3.45Å; G324-Y328 PolarHBondContact O-N 2.99Å
325	C	93.8	Very high	92	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-44.3	175.1	-65.8	0	0	0	0	111.5	F321 R322 G329 Y330 I335 F418	F321-C325 VanDerWaalsContact CE1-SG 3.6Å; F321-C325 PolarHBondContact O-N 3.37Å; F321-C325 PolarHBondContact O-SG 3.03Å; R322-C325 WeakPolarHBondContact O-CB 3.38Å; R322-C325 PolarHBondContact O-N 3.19Å; C325-G329 CarbonylContact O-C 3.49Å; C325-G329 PolarHBondContact O-N 3.05Å; C325-Y330 PolarHBondContact O-N 3.01Å; C325-I335 HydrophobicContact CB-CD1 4.5Å; C325-I335 VanDerWaalsContact SG-CD1 3.6Å; C325-F418 HydrophobicContact CB-CE2 4.33Å; C325-F418 HydrophobicContact CB-CZ 4.23Å
326	Q	92	Very high	92.3	Very high	92 Å²	92	39.9 Å²	39.9	43%	0.43	20%	0.197	S	C	.	.	H	α-helix	trans	-64	-47.6	176.5	-176	176.3	13.8	0	0	112.1	R322 D323 G324 Y328 G329 F417	R322-Q326 PolarHBondContact O-N 3.1Å; D323-Q326 PolarHBondContact O-N 3.15Å; G324-Q326 VanDerWaalsContact C-N 3.31Å; G324-Q326 PolarHBondContact O-N 3.27Å; Q326-Y328 VanDerWaalsContact C-N 3.32Å; Q326-Y328 PolarHBondContact O-N 2.71Å; Q326-G329 PolarHBondContact O-N 3.45Å; Q326-F417 HydrophobicContact CB-CD1 4.17Å; Q326-F417 HydrophobicContact CG-CB 4.27Å; Q326-F417 HydrophobicContact CG-CD1 3.86Å; Q326-F417 HydrophobicContact CG-CD2 4.36Å; Q326-F417 HydrophobicContact CG-CE1 4.26Å; Q326-F417 HydrophobicContact CG-CG 3.91Å
327	Q	92.9	Very high	92.4	Very high	99 Å²	99	32.7 Å²	32.7	46%	0.463	17%	0.165	S	C	.	.	H	α-helix	trans	-58.4	-41.8	-179.8	-178.7	-179.2	-3.8	0	0	112.5	T229 P231 D323 G324	T229-Q327 PolarHBondContact OG1-O 2.73Å; P231-Q327 HydrophobicContact CB-CG 4.08Å; P231-Q327 HydrophobicContact CG-CG 4.25Å; D323-Q327 WeakPolarHBondContact O-CB 3.2Å; D323-Q327 PolarHBondContact O-N 3.44Å; G324-Q327 PolarHBondContact O-N 2.85Å
328	Y	93.4	Very high	92.5	Very high	17 Å²	17	31.3 Å²	31.3	7%	0.067	16%	0.157	C	C	.	.	H	α-helix	trans	-95.8	2.9	-177.3	-57.4	-60.7	0	0	0	113.9	T229 P231 W232 L235 P287 E288 A291 G324 Q326	T229-Y328 WeakPolarHBondContact OG1-CA 3.45Å; P231-Y328 HydrophobicContact CB-CD1 3.93Å; P231-Y328 HydrophobicContact CB-CE1 3.84Å; W232-Y328 HydrophobicContact CB-CD1 4.49Å; L235-Y328 HydrophobicContact CD1-CD1 4.15Å; L235-Y328 HydrophobicContact CD1-CE1 3.43Å; L235-Y328 VanDerWaalsContact CD1-CE1 3.43Å; L235-Y328 HydrophobicContact CG-CE1 4.48Å; P287-Y328 HydrophobicContact CB-CD2 4.02Å; E288-Y328 VanDerWaalsContact CA-CE2 3.44Å; E288-Y328 HydrophobicContact CB-CE2 3.66Å; E288-Y328 HydrophobicContact CG-CE2 4.28Å; A291-Y328 HydrophobicContact CB-CD1 3.86Å; A291-Y328 HydrophobicContact CB-CE1 4.47Å; A291-Y328 HydrophobicContact CB-CG 3.94Å; G324-Y328 WeakPolarHBondContact O-CD2 3.45Å; G324-Y328 PolarHBondContact O-N 2.99Å; Q326-Y328 VanDerWaalsContact C-N 3.32Å; Q326-Y328 PolarHBondContact O-N 2.71Å
329	G	92	Very high	92.5	Very high	11 Å²	11	31.3 Å²	31.3	11%	0.113	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	16.8	173.3	0	0	0	0	0	116.1	C325 Q326 K331 Q334	C325-G329 CarbonylContact O-C 3.49Å; C325-G329 PolarHBondContact O-N 3.05Å; Q326-G329 PolarHBondContact O-N 3.45Å; G329-K331 PolarHBondContact O-N 3.37Å; G329-Q334 PolarHBondContact O-OE1 2.84Å
330	Y	92.3	Very high	92.3	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	14%	0.137	C	C	.	.			trans	-78.6	116.7	177.7	-64	-70.6	0	0	0	111.6	W232 P287 A290 A291 C295 F298 C325 Q334	W232-Y330 AromaticContact CD1-CZ 3.82Å; W232-Y330 AromaticContact NE1-CZ 3.62Å; W232-Y330 PolarHBondContact NE1-OH 2.88Å; P287-Y330 HydrophobicContact CB-CD2 4.17Å; P287-Y330 HydrophobicContact CB-CE2 4.34Å; P287-Y330 WeakPolarHBondContact O-CE2 3.45Å; A290-Y330 HydrophobicContact CB-CE2 4.2Å; A290-Y330 VanDerWaalsContact CB-OH 3.32Å; A290-Y330 WeakPolarHBondContact CB-OH 3.39Å; A291-Y330 WeakPolarHBondContact CA-OH 3.46Å; A291-Y330 HydrophobicContact CB-CE2 4.47Å; A291-Y330 PolarHBondContact N-OH 3.33Å; C295-Y330 VanDerWaalsContact O-CE1 3.31Å; C295-Y330 WeakPolarHBondContact O-CE1 3.39Å; C295-Y330 PolarHBondContact O-OH 2.97Å; F298-Y330 HydrophobicContact CD1-CD1 4Å; F298-Y330 AromaticContact CD1-CE1 3.83Å; F298-Y330 HydrophobicContact CD1-CE1 3.83Å; F298-Y330 HydrophobicContact CD1-CE2 4.38Å; F298-Y330 HydrophobicContact CD1-CG 4.36Å; F298-Y330 AromaticContact CE1-CD1 3.84Å; F298-Y330 HydrophobicContact CE1-CD1 3.84Å; F298-Y330 AromaticContact CE1-CD2 3.82Å; F298-Y330 HydrophobicContact CE1-CD2 3.82Å; F298-Y330 HydrophobicContact CE1-CE1 4.03Å; F298-Y330 AromaticContact CE1-CE2 4Å; F298-Y330 HydrophobicContact CE1-CE2 4Å; F298-Y330 AromaticContact CE1-CG 3.73Å; F298-Y330 HydrophobicContact CE1-CG 3.73Å; C325-Y330 PolarHBondContact O-N 3.01Å; Y330-Q334 HydrophobicContact CD1-CB 4.35Å
331	K	90.7	Very high	92.2	Very high	84 Å²	84	29.4 Å²	29.4	37%	0.365	15%	0.145	S	C	.	.			trans	-82.1	162.8	167.9	-64.9	175.5	171.2	178.5	0	111.1	E225 G329 G333 Q334	E225-K331 WeakPolarHBondContact O-CE 3.34Å; E225-K331 PolarHBondContact O-NZ 3.19Å; G329-K331 PolarHBondContact O-N 3.37Å; K331-G333 VanDerWaalsContact C-N 3.29Å; K331-G333 PolarHBondContact O-N 2.87Å; K331-Q334 WeakPolarHBondContact O-CB 3.4Å; K331-Q334 PolarHBondContact O-N 3.29Å
332	S	88.5	Confident	92.2	Very high	13 Å²	13	31.6 Å²	31.6	9%	0.091	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-48.6	-48.1	175.8	52.9	0	0	0	0	113	Q334 I335 G371 N373	S332-Q334 PolarHBondContact O-N 3.42Å; S332-Q334 VanDerWaalsContact O-N 3.12Å; S332-I335 PolarHBondContact O-N 3.04Å; S332-I335 VanDerWaalsContact O-N 3.09Å; S332-G371 WeakPolarHBondContact CB-O 3.22Å; S332-N373 VanDerWaalsContact CB-OD1 3.31Å; S332-N373 WeakPolarHBondContact CB-OD1 3.37Å; S332-N373 PolarHBondContact O-OD1 2.98Å; S332-N373 PolarHBondContact OG-ND2 2.9Å
333	G	88.1	Confident	92.3	Very high	21 Å²	21	29.1 Å²	29.1	22%	0.216	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-71.8	4.6	178.5	0	0	0	0	0	116.2	K331 N373 P541	K331-G333 VanDerWaalsContact C-N 3.29Å; K331-G333 PolarHBondContact O-N 2.87Å; G333-N373 PolarHBondContact N-OD1 3.13Å; G333-P541 WeakPolarHBondContact O-CD 3.47Å; G333-P541 WeakPolarHBondContact O-CG 3.12Å
334	Q	93.2	Very high	92.4	Very high	10 Å²	10	25.7 Å²	25.7	5%	0.047	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-104.2	3.3	169.6	-71.1	165.4	-91.6	0	0	112.2	Y226 L254 R296 A297 F298 G329 Y330 K331 S332	Y226-Q334 HydrophobicContact CD1-CG 3.95Å; Y226-Q334 HydrophobicContact CE1-CG 3.96Å; L254-Q334 HydrophobicContact CD1-CG 4.05Å; R296-Q334 PolarHBondContact O-NE2 3.44Å; A297-Q334 CarbonylContact C-O 3.53Å; A297-Q334 WeakPolarHBondContact CA-O 3.31Å; A297-Q334 HydrophobicContact CB-CB 4.21Å; A297-Q334 WeakPolarHBondContact CB-O 3.46Å; F298-Q334 PolarHBondContact N-O 2.82Å; G329-Q334 PolarHBondContact O-OE1 2.84Å; Y330-Q334 HydrophobicContact CD1-CB 4.35Å; K331-Q334 WeakPolarHBondContact O-CB 3.4Å; K331-Q334 PolarHBondContact O-N 3.29Å; S332-Q334 PolarHBondContact O-N 3.42Å; S332-Q334 VanDerWaalsContact O-N 3.12Å
335	I	94.5	Very high	92.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.7	-173.1	-54.7	172.7	0	0	0	107.7	F298 V300 F321 C325 S332 P337 L372	F298-I335 HydrophobicContact CD1-CG1 4.47Å; F298-I335 HydrophobicContact CD2-CG2 4.22Å; F298-I335 HydrophobicContact CE1-CD1 4.18Å; F298-I335 HydrophobicContact CE1-CG1 3.81Å; F298-I335 HydrophobicContact CE2-CG1 4.27Å; F298-I335 HydrophobicContact CE2-CG2 3.64Å; F298-I335 HydrophobicContact CZ-CB 4.4Å; F298-I335 HydrophobicContact CZ-CD1 3.82Å; F298-I335 HydrophobicContact CZ-CG1 3.7Å; F298-I335 HydrophobicContact CZ-CG2 3.9Å; V300-I335 HydrophobicContact CG1-CG2 4.19Å; F321-I335 HydrophobicContact CZ-CD1 4.21Å; F321-I335 HydrophobicContact CZ-CG2 4.34Å; C325-I335 HydrophobicContact CB-CD1 4.5Å; C325-I335 VanDerWaalsContact SG-CD1 3.6Å; S332-I335 PolarHBondContact O-N 3.04Å; S332-I335 VanDerWaalsContact O-N 3.09Å; I335-P337 VanDerWaalsContact O-CD 3.27Å; I335-P337 WeakPolarHBondContact O-CD 3.25Å; I335-L372 HydrophobicContact CB-CD2 3.9Å; I335-L372 HydrophobicContact CD1-CD2 3.62Å; I335-L372 HydrophobicContact CG1-CD2 4.34Å; I335-L372 HydrophobicContact CG2-CD1 4.07Å; I335-L372 HydrophobicContact CG2-CD2 3.84Å
336	L	94.9	Very high	92.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	84.4	-176.2	-167.8	65	0	0	0	110.7	F298 G299 V300 H338 L374 V376 A498 H500 P541 I543	F298-L336 PolarHBondContact O-N 3.02Å; G299-L336 VanDerWaalsContact CA-O 3.27Å; G299-L336 WeakPolarHBondContact CA-O 3.44Å; V300-L336 PolarHBondContact N-O 3.38Å; V300-L336 VanDerWaalsContact N-O 3.14Å; L336-H338 PolarHBondContact O-N 2.84Å; L336-L374 HydrophobicContact CD1-CB 3.82Å; L336-L374 HydrophobicContact CD1-CD1 4.04Å; L336-V376 HydrophobicContact CD1-CB 4.03Å; L336-V376 HydrophobicContact CD1-CG1 4.18Å; L336-V376 HydrophobicContact CD2-CB 4.43Å; L336-V376 HydrophobicContact CD2-CG1 4.06Å; L336-V376 HydrophobicContact CG-CB 4.15Å; L336-V376 HydrophobicContact CG-CG1 3.76Å; L336-A498 HydrophobicContact CD1-CB 4Å; L336-A498 HydrophobicContact CD2-CB 3.56Å; L336-A498 HydrophobicContact CG-CB 4.44Å; L336-H500 VanDerWaalsContact CD2-NE2 3.34Å; L336-H500 WeakPolarHBondContact CD2-NE2 3.5Å; L336-P541 HydrophobicContact CB-CB 4.49Å; L336-I543 HydrophobicContact CB-CG1 4.22Å; L336-I543 HydrophobicContact CD2-CG1 3.84Å
337	P	93.7	Very high	92.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	124.6	168.6	-29	38.3	0	0	0	111.6	V300 L302 I335 L372 L374 Y375 V376	V300-P337 CarbonylContact O-C 3.59Å; V300-P337 VanDerWaalsContact O-CA 3.27Å; V300-P337 WeakPolarHBondContact O-CA 3.21Å; L302-P337 HydrophobicContact CD1-CB 3.96Å; L302-P337 HydrophobicContact CD1-CG 4.26Å; L302-P337 HydrophobicContact CD2-CB 4.44Å; L302-P337 HydrophobicContact CD2-CG 4.44Å; L302-P337 HydrophobicContact CG-CB 4.03Å; L302-P337 HydrophobicContact CG-CG 4.47Å; I335-P337 VanDerWaalsContact O-CD 3.27Å; I335-P337 WeakPolarHBondContact O-CD 3.25Å; P337-L372 HydrophobicContact CG-CB 4.22Å; P337-L372 HydrophobicContact CG-CD1 3.51Å; P337-L372 HydrophobicContact CG-CG 4.46Å; P337-L374 VanDerWaalsContact CD-O 3.27Å; P337-L374 WeakPolarHBondContact CD-O 3.47Å; P337-Y375 HydrophobicContact CB-CD2 3.99Å; P337-Y375 CarbonylContact O-C 3.33Å; P337-Y375 WeakPolarHBondContact O-CA 3.5Å; P337-V376 PolarHBondContact O-N 3.02Å
338	H	92.7	Very high	93.1	Very high	5 Å²	5	18.8 Å²	18.8	2%	0.023	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-96.9	134.2	172.9	-162.5	-54.1	0	0	0	110.2	V300 F301 L336 Y341 V376 H378 E429 H500 E545	V300-H338 PolarHBondContact O-N 2.93Å; F301-H338 HydrophobicContact CD1-CB 4.04Å; F301-H338 VanDerWaalsContact CD1-O 3.27Å; F301-H338 WeakPolarHBondContact CD1-O 3.32Å; F301-H338 HydrophobicContact CE1-CB 3.66Å; F301-H338 AromaticContact CE1-CG 3.74Å; F301-H338 AromaticContact CE1-ND1 3.59Å; F301-H338 HydrophobicContact CZ-CB 4.13Å; L336-H338 PolarHBondContact O-N 2.84Å; H338-Y341 AromaticContact CE1-CE1 3.85Å; H338-V376 CarbonylContact C-O 3.47Å; H338-V376 WeakPolarHBondContact CA-O 3.1Å; H338-V376 HydrophobicContact CB-CG1 3.99Å; H338-H378 AromaticContact CE1-CD2 3.96Å; H338-H378 AromaticContact CE1-NE2 3.79Å; H338-H378 AromaticContact NE2-NE2 3.75Å; H338-E429 IonicContact NE2-OE2 3.54Å; H338-H500 AromaticContact CD2-CE1 3.89Å; H338-E545 IonicContact CD2-OE1 3.91Å
339	G	90.3	Very high	93.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-73.5	155.4	177.4	0	0	0	0	0	113.4	Y341 E363 Y375 V376	G339-Y341 PolarHBondContact O-N 3.04Å; G339-E363 WeakPolarHBondContact CA-OE2 3.14Å; G339-Y375 VanDerWaalsContact CA-CZ 3.46Å; G339-Y375 WeakPolarHBondContact CA-OH 3.38Å; G339-V376 PolarHBondContact N-O 3.4Å
340	S	88.5	Confident	93.6	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.042	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-58.6	134.7	177.5	179.3	0	0	0	0	112.8	N305 L342 L343 E363	N305-S340 PolarHBondContact O-OG 2.87Å; S340-L342 PolarHBondContact O-N 2.92Å; S340-L342 PolarHBondContact OG-N 3.49Å; S340-L343 WeakPolarHBondContact O-CB 3.4Å; S340-L343 WeakPolarHBondContact O-CD1 3.4Å; S340-L343 WeakPolarHBondContact O-CG 3.32Å; S340-L343 PolarHBondContact O-N 2.68Å; S340-E363 PolarHBondContact N-OE2 3.02Å
341	Y	89.4	Confident	93.8	Very high	97 Å²	97	29 Å²	29	38%	0.38	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-9.7	175.2	-59.7	-51.6	0	0	0	114	F301 N305 F306 H338 G339 L343 H378	F301-Y341 HydrophobicContact CZ-CE1 4.31Å; F301-Y341 AromaticContact CZ-CE2 3.96Å; F301-Y341 HydrophobicContact CZ-CE2 3.96Å; F301-Y341 AromaticContact CZ-CZ 3.72Å; N305-Y341 HydrophobicContact CB-CD2 4.31Å; N305-Y341 WeakPolarHBondContact ND2-CD2 3.22Å; N305-Y341 WeakPolarHBondContact ND2-CE2 3.39Å; F306-Y341 HydrophobicContact CE1-CD2 4.45Å; H338-Y341 AromaticContact CE1-CE1 3.85Å; G339-Y341 PolarHBondContact O-N 3.04Å; Y341-L343 VanDerWaalsContact C-N 3.35Å; Y341-H378 AromaticContact CD1-CE1 3.76Å; Y341-H378 AromaticContact CE1-CE1 3.75Å
342	L	93.8	Very high	94.1	Very high	45 Å²	45	26.7 Å²	26.7	24%	0.236	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-18	174.5	-59.5	179.5	0	0	0	113.4	T307 W308 S340 N344	T307-L342 VanDerWaalsContact C-CD1 3.44Å; W308-L342 HydrophobicContact CD2-CB 4.33Å; W308-L342 HydrophobicContact CD2-CD1 3.98Å; W308-L342 HydrophobicContact CE3-CB 4.39Å; W308-L342 HydrophobicContact CE3-CD1 4.49Å; W308-L342 HydrophobicContact CG-CD1 4.13Å; W308-L342 HydrophobicContact CH2-CB 3.8Å; W308-L342 WeakPolarHBondContact CH2-O 3.29Å; W308-L342 HydrophobicContact CZ2-CB 3.68Å; W308-L342 WeakPolarHBondContact CZ2-O 3.23Å; W308-L342 HydrophobicContact CZ3-CB 4.14Å; S340-L342 PolarHBondContact O-N 2.92Å; S340-L342 PolarHBondContact OG-N 3.49Å; L342-N344 PolarHBondContact O-N 3.06Å
343	L	94.7	Very high	94.5	Very high	14 Å²	14	28.4 Å²	28.4	7%	0.073	16%	0.155	C	C	.	.			trans	-64.9	125.4	-177.4	-62.2	169.5	0	0	0	110.2	W308 S340 Y341 T356 T359 L360 Y375	W308-L343 HydrophobicContact CZ3-CD2 4.47Å; S340-L343 WeakPolarHBondContact O-CB 3.4Å; S340-L343 WeakPolarHBondContact O-CD1 3.4Å; S340-L343 WeakPolarHBondContact O-CG 3.32Å; S340-L343 PolarHBondContact O-N 2.68Å; Y341-L343 VanDerWaalsContact C-N 3.35Å; L343-T356 HydrophobicContact CB-CG2 4.18Å; L343-T356 HydrophobicContact CD2-CG2 3.92Å; L343-T359 HydrophobicContact CD2-CG2 3.83Å; L343-L360 HydrophobicContact CD1-CD1 4.46Å; L343-L360 HydrophobicContact CD2-CB 4.36Å; L343-Y375 VanDerWaalsContact CD1-OH 3.25Å; L343-Y375 WeakPolarHBondContact CD1-OH 3.27Å
344	N	97.3	Very high	94.9	Very high	16 Å²	16	31.1 Å²	31.1	9%	0.086	17%	0.165	C	C	.	.			trans	-138.7	86.9	166.7	-176.4	4.9	0	0	0	110	L342 G346 S347 V352 T356 G380 S381	L342-N344 PolarHBondContact O-N 3.06Å; N344-G346 PolarHBondContact O-N 3.03Å; N344-G346 PolarHBondContact OD1-N 3.41Å; N344-S347 VanDerWaalsContact O-CB 3.27Å; N344-S347 WeakPolarHBondContact O-CB 3.3Å; N344-S347 PolarHBondContact O-N 3.43Å; N344-S347 PolarHBondContact OD1-N 3.04Å; N344-V352 HydrophobicContact CB-CG1 4.34Å; N344-T356 PolarHBondContact N-OG1 2.8Å; N344-T356 VanDerWaalsContact N-OG1 3.09Å; N344-G380 WeakPolarHBondContact OD1-CA 3.06Å; N344-S381 PolarHBondContact ND2-O 3.4Å; N344-S381 PolarHBondContact OD1-N 3.23Å; N344-S381 PolarHBondContact OD1-O 3.04Å
345	P	96.2	Very high	95.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.3	-177.6	25.2	-27.7	0	0	0	112.6	Y353 T356 F377 P379 R394 I395 V398	P345-Y353 WeakPolarHBondContact O-CE2 3.36Å; P345-T356 HydrophobicContact CB-CG2 3.89Å; P345-T356 HydrophobicContact CG-CG2 4.37Å; P345-F377 HydrophobicContact CG-CE2 4.21Å; P345-P379 WeakPolarHBondContact CD-O 3.48Å; P345-P379 VanDerWaalsContact CG-O 3.27Å; P345-P379 WeakPolarHBondContact CG-O 3.47Å; P345-R394 CarbonylContact O-C 3.45Å; P345-I395 HydrophobicContact CB-CG1 4.47Å; P345-I395 HydrophobicContact CG-CG1 4.16Å; P345-I395 HydrophobicContact CG-CG2 4.11Å; P345-V398 HydrophobicContact CB-CB 3.81Å; P345-V398 HydrophobicContact CB-CG1 3.8Å; P345-V398 HydrophobicContact CB-CG2 4Å
346	G	96.8	Very high	95.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-7	168.2	0	0	0	0	0	115	N344 C391 R394	N344-G346 PolarHBondContact O-N 3.03Å; N344-G346 PolarHBondContact OD1-N 3.41Å; G346-C391 VanDerWaalsContact CA-SG 3.59Å; G346-R394 PolarHBondContact O-NE 3.47Å
347	S	97.1	Very high	95.3	Very high	6 Å²	6	36.8 Å²	36.8	4%	0.042	19%	0.19	C	C	.	.			trans	-61.8	140.6	-168.6	-161.9	0	0	0	0	114	N344 N349 Y353 R394	N344-S347 VanDerWaalsContact O-CB 3.27Å; N344-S347 WeakPolarHBondContact O-CB 3.3Å; N344-S347 PolarHBondContact O-N 3.43Å; N344-S347 PolarHBondContact OD1-N 3.04Å; S347-N349 PolarHBondContact OG-N 3.32Å; S347-Y353 WeakPolarHBondContact O-CD2 3.38Å; S347-R394 PolarHBondContact O-NE 2.69Å; S347-R394 PolarHBondContact O-NH2 3.17Å
348	T	97.4	Very high	95.4	Very high	45 Å²	45	40.7 Å²	40.7	28%	0.276	21%	0.213	S	C	.	.			trans	-86.6	-16.3	168.1	50.1	0	0	0	0	113.6	P350 L385 I386	T348-P350 WeakPolarHBondContact O-CD 3.46Å; T348-L385 WeakPolarHBondContact OG1-CD1 3.35Å; T348-I386 HydrophobicContact CG2-CB 4.48Å; T348-I386 HydrophobicContact CG2-CD1 4.03Å; T348-I386 HydrophobicContact CG2-CG1 4.29Å; T348-I386 HydrophobicContact CG2-CG2 3.45Å; T348-I386 VanDerWaalsContact CG2-CG2 3.45Å
349	N	97.5	Very high	95.5	Very high	69 Å²	69	40.6 Å²	40.6	37%	0.369	21%	0.213	S	C	.	.	S	Bend	trans	-72.6	119.4	174.9	178.2	-52.6	0	0	0	109	S347 D351 V352 Y353	S347-N349 PolarHBondContact OG-N 3.32Å; N349-D351 PolarHBondContact O-N 3.04Å; N349-D351 WeakPolarHBondContact OD1-CB 3.26Å; N349-D351 PolarHBondContact OD1-N 2.9Å; N349-V352 HydrophobicContact CB-CB 4.13Å; N349-V352 HydrophobicContact CB-CG2 4.1Å; N349-V352 PolarHBondContact O-N 2.7Å; N349-V352 PolarHBondContact OD1-N 2.81Å; N349-V352 VanDerWaalsContact OD1-N 3.13Å; N349-Y353 VanDerWaalsContact O-CB 3.3Å; N349-Y353 WeakPolarHBondContact O-CB 3.05Å; N349-Y353 PolarHBondContact O-N 3.08Å
350	P	97.1	Very high	95.7	Very high	94 Å²	94	40.6 Å²	40.6	61%	0.61	21%	0.213	S	C	*	.	H	α-helix	trans	-59.4	-42	-174.7	-26.2	35.6	0	0	0	113.8	T348 Y353 D354	T348-P350 WeakPolarHBondContact O-CD 3.46Å; P350-Y353 PolarHBondContact O-N 2.81Å; P350-D354 WeakPolarHBondContact O-CB 3.26Å; P350-D354 PolarHBondContact O-N 3.37Å
351	D	97.5	Very high	95.9	Very high	82 Å²	82	41.6 Å²	41.6	44%	0.439	22%	0.217	S	C	.	.	H	α-helix	trans	-64.6	-45	-179.9	173.6	68.4	0	0	0	111.8	N349 K355	N349-D351 PolarHBondContact O-N 3.04Å; N349-D351 WeakPolarHBondContact OD1-CB 3.26Å; N349-D351 PolarHBondContact OD1-N 2.9Å; D351-K355 WeakPolarHBondContact O-CB 3.49Å; D351-K355 WeakPolarHBondContact O-CD 3.49Å; D351-K355 VanDerWaalsContact O-CG 3.22Å; D351-K355 WeakPolarHBondContact O-CG 3.04Å; D351-K355 PolarHBondContact O-N 3.35Å; D351-K355 WeakPolarHBondContact OD1-CE 3.45Å; D351-K355 IonicContact OD1-NZ 2.72Å; D351-K355 PolarHBondContact OD1-NZ 3.47Å; D351-K355 IonicContact OD2-NZ 2.69Å; D351-K355 PolarHBondContact OD2-NZ 2.9Å
352	V	97	Very high	96.1	Very high	35 Å²	35	39.2 Å²	39.2	21%	0.212	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-39	175.8	177.3	0	0	0	0	111.3	W308 N344 N349 T356	W308-V352 HydrophobicContact CZ2-CG1 4.38Å; N344-V352 HydrophobicContact CB-CG1 4.34Å; N349-V352 HydrophobicContact CB-CB 4.13Å; N349-V352 HydrophobicContact CB-CG2 4.1Å; N349-V352 PolarHBondContact O-N 2.7Å; N349-V352 PolarHBondContact OD1-N 2.81Å; N349-V352 VanDerWaalsContact OD1-N 3.13Å; V352-T356 VanDerWaalsContact O-CB 3.22Å; V352-T356 WeakPolarHBondContact O-CB 3.46Å; V352-T356 PolarHBondContact O-N 3.31Å; V352-T356 PolarHBondContact O-OG1 3.18Å
353	Y	97	Very high	95.9	Very high	48 Å²	48	37.3 Å²	37.3	19%	0.188	20%	0.198	C	C	.	.	H	α-helix	trans	-66.5	-45.8	178.8	-172.5	-105.7	0	0	0	111.8	P345 S347 N349 P350 T356 K357 V398	P345-Y353 WeakPolarHBondContact O-CE2 3.36Å; S347-Y353 WeakPolarHBondContact O-CD2 3.38Å; N349-Y353 VanDerWaalsContact O-CB 3.3Å; N349-Y353 WeakPolarHBondContact O-CB 3.05Å; N349-Y353 PolarHBondContact O-N 3.08Å; P350-Y353 PolarHBondContact O-N 2.81Å; Y353-T356 PolarHBondContact O-N 2.93Å; Y353-K357 HydrophobicContact CD1-CD 4.16Å; Y353-K357 HydrophobicContact CE1-CD 3.8Å; Y353-K357 WeakPolarHBondContact O-CG 3.19Å; Y353-K357 PolarHBondContact O-N 3.2Å; Y353-V398 HydrophobicContact CD2-CG2 4.38Å; Y353-V398 HydrophobicContact CE2-CG2 3.49Å; Y353-V398 VanDerWaalsContact CE2-CG2 3.49Å; Y353-V398 WeakPolarHBondContact OH-CG2 3.47Å
354	D	97.2	Very high	95.8	Very high	78 Å²	78	36.7 Å²	36.7	42%	0.417	20%	0.195	S	C	.	.	H	α-helix	trans	-68.5	-41.9	177.7	-72.9	-20.9	0	0	0	112.5	P350 T356 K357 T358	P350-D354 WeakPolarHBondContact O-CB 3.26Å; P350-D354 PolarHBondContact O-N 3.37Å; D354-T356 VanDerWaalsContact C-N 3.32Å; D354-T356 PolarHBondContact O-N 3.19Å; D354-K357 PolarHBondContact O-N 3.32Å; D354-K357 WeakPolarHBondContact OD1-CE 2.96Å; D354-K357 IonicContact OD1-NZ 3.88Å; D354-K357 PolarHBondContact OD1-NZ 2.7Å; D354-T358 WeakPolarHBondContact O-CB 3.41Å; D354-T358 PolarHBondContact O-N 2.59Å; D354-T358 PolarHBondContact O-OG1 3.24Å
355	K	97.6	Very high	95.4	Very high	73 Å²	73	39.9 Å²	39.9	32%	0.317	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-38.4	171.6	-76	169.6	174.2	158.5	0	112.1	W308 D351 T359	W308-K355 HydrophobicContact CB-CD 4.49Å; W308-K355 HydrophobicContact CD2-CB 3.89Å; W308-K355 HydrophobicContact CD2-CD 4Å; W308-K355 HydrophobicContact CD2-CG 4.36Å; W308-K355 HydrophobicContact CE3-CB 3.67Å; W308-K355 HydrophobicContact CE3-CG 4.49Å; W308-K355 HydrophobicContact CG-CD 3.96Å; W308-K355 HydrophobicContact CH2-CB 3.96Å; W308-K355 HydrophobicContact CZ2-CB 4.18Å; W308-K355 HydrophobicContact CZ3-CB 3.71Å; D351-K355 WeakPolarHBondContact O-CB 3.49Å; D351-K355 WeakPolarHBondContact O-CD 3.49Å; D351-K355 VanDerWaalsContact O-CG 3.22Å; D351-K355 WeakPolarHBondContact O-CG 3.04Å; D351-K355 PolarHBondContact O-N 3.35Å; D351-K355 WeakPolarHBondContact OD1-CE 3.45Å; D351-K355 IonicContact OD1-NZ 2.72Å; D351-K355 PolarHBondContact OD1-NZ 3.47Å; D351-K355 IonicContact OD2-NZ 2.69Å; D351-K355 PolarHBondContact OD2-NZ 2.9Å; K355-T359 WeakPolarHBondContact O-CB 3.29Å; K355-T359 PolarHBondContact O-N 2.67Å; K355-T359 PolarHBondContact O-OG1 3Å
356	T	96.7	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-51.8	175.4	-63.9	0	0	0	0	111.4	L343 N344 P345 V352 Y353 D354 T358 T359 L360	L343-T356 HydrophobicContact CB-CG2 4.18Å; L343-T356 HydrophobicContact CD2-CG2 3.92Å; N344-T356 PolarHBondContact N-OG1 2.8Å; N344-T356 VanDerWaalsContact N-OG1 3.09Å; P345-T356 HydrophobicContact CB-CG2 3.89Å; P345-T356 HydrophobicContact CG-CG2 4.37Å; V352-T356 VanDerWaalsContact O-CB 3.22Å; V352-T356 WeakPolarHBondContact O-CB 3.46Å; V352-T356 PolarHBondContact O-N 3.31Å; V352-T356 PolarHBondContact O-OG1 3.18Å; Y353-T356 PolarHBondContact O-N 2.93Å; D354-T356 VanDerWaalsContact C-N 3.32Å; D354-T356 PolarHBondContact O-N 3.19Å; T356-T358 VanDerWaalsContact C-N 3.27Å; T356-T358 PolarHBondContact O-N 3.41Å; T356-T359 PolarHBondContact O-N 3.37Å; T356-L360 VanDerWaalsContact O-CB 3.29Å; T356-L360 WeakPolarHBondContact O-CB 3.44Å; T356-L360 PolarHBondContact O-N 3.41Å
357	K	95.9	Very high	94.7	Very high	58 Å²	58	40.1 Å²	40.1	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-52.5	-47.4	176.2	-75.1	-178	-63.8	178.4	0	111.5	Y353 D354 L361 V398 M401	Y353-K357 HydrophobicContact CD1-CD 4.16Å; Y353-K357 HydrophobicContact CE1-CD 3.8Å; Y353-K357 WeakPolarHBondContact O-CG 3.19Å; Y353-K357 PolarHBondContact O-N 3.2Å; D354-K357 PolarHBondContact O-N 3.32Å; D354-K357 WeakPolarHBondContact OD1-CE 2.96Å; D354-K357 IonicContact OD1-NZ 3.88Å; D354-K357 PolarHBondContact OD1-NZ 2.7Å; K357-L361 VanDerWaalsContact O-CB 3.29Å; K357-L361 WeakPolarHBondContact O-CB 3.3Å; K357-L361 PolarHBondContact O-N 3.43Å; K357-L361 VanDerWaalsContact O-N 3.12Å; K357-V398 HydrophobicContact CD-CG2 4.43Å; K357-V398 HydrophobicContact CG-CG1 4.02Å; K357-V398 HydrophobicContact CG-CG2 3.9Å; K357-M401 HydrophobicContact CB-CE 3.64Å; K357-M401 HydrophobicContact CD-CE 4.07Å; K357-M401 HydrophobicContact CG-CE 3.64Å
358	T	95.9	Very high	94.2	Very high	81 Å²	81	42 Å²	42	50%	0.497	22%	0.218	S	C	.	.	H	α-helix	trans	-66.3	-44.8	-178.8	-52.5	0	0	0	0	112	L310 D354 T356 Y362	L310-T358 HydrophobicContact CD1-CG2 4.01Å; D354-T358 WeakPolarHBondContact O-CB 3.41Å; D354-T358 PolarHBondContact O-N 2.59Å; D354-T358 PolarHBondContact O-OG1 3.24Å; T356-T358 VanDerWaalsContact C-N 3.27Å; T356-T358 PolarHBondContact O-N 3.41Å; T358-Y362 VanDerWaalsContact O-CB 3.31Å; T358-Y362 WeakPolarHBondContact O-CB 3.25Å; T358-Y362 PolarHBondContact O-N 3.43Å
359	T	94.9	Very high	93.6	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-70.4	-43.9	-178.1	-56.7	0	0	0	0	111.7	L310 L343 K355 T356 Y362 E363	L310-T359 HydrophobicContact CD2-CG2 4.07Å; L343-T359 HydrophobicContact CD2-CG2 3.83Å; K355-T359 WeakPolarHBondContact O-CB 3.29Å; K355-T359 PolarHBondContact O-N 2.67Å; K355-T359 PolarHBondContact O-OG1 3Å; T356-T359 PolarHBondContact O-N 3.37Å; T359-Y362 WeakPolarHBondContact O-CB 3.39Å; T359-Y362 PolarHBondContact O-N 3.44Å; T359-E363 HydrophobicContact CG2-CG 4.37Å; T359-E363 WeakPolarHBondContact CG2-OE1 3.27Å; T359-E363 WeakPolarHBondContact O-CG 3.35Å; T359-E363 PolarHBondContact O-N 3.03Å
360	L	93.5	Very high	93.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-44.2	178.1	-177.3	62.8	0	0	0	111.4	L343 T356 Y362 E363 L364 Y375 V398 L399 V402	L343-L360 HydrophobicContact CD1-CD1 4.46Å; L343-L360 HydrophobicContact CD2-CB 4.36Å; T356-L360 VanDerWaalsContact O-CB 3.29Å; T356-L360 WeakPolarHBondContact O-CB 3.44Å; T356-L360 PolarHBondContact O-N 3.41Å; L360-Y362 VanDerWaalsContact C-N 3.32Å; L360-Y362 PolarHBondContact O-N 2.59Å; L360-E363 PolarHBondContact O-N 2.8Å; L360-L364 HydrophobicContact CD1-CD1 4.3Å; L360-L364 HydrophobicContact CD1-CG 4.47Å; L360-L364 HydrophobicContact CG-CD1 4.22Å; L360-L364 WeakPolarHBondContact O-CG 3.45Å; L360-L364 PolarHBondContact O-N 3.09Å; L360-Y375 HydrophobicContact CD1-CD1 4.22Å; L360-Y375 HydrophobicContact CD1-CE1 3.34Å; L360-V398 HydrophobicContact CD2-CG1 3.95Å; L360-L399 HydrophobicContact CD2-CD2 4.13Å; L360-V402 HydrophobicContact CB-CG1 4.38Å; L360-V402 HydrophobicContact CD2-CG1 4.12Å; L360-V402 HydrophobicContact CD2-CG2 4Å; L360-V402 HydrophobicContact CG-CG1 4.11Å; L360-V402 HydrophobicContact CG-CG2 4.25Å
361	L	93.4	Very high	92.7	Very high	26 Å²	26	36.1 Å²	36.1	14%	0.136	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-42.8	174	-178.7	60.1	0	0	0	111.6	K357 K365 V402 Q405 T406	K357-L361 VanDerWaalsContact O-CB 3.29Å; K357-L361 WeakPolarHBondContact O-CB 3.3Å; K357-L361 PolarHBondContact O-N 3.43Å; K357-L361 VanDerWaalsContact O-N 3.12Å; L361-K365 HydrophobicContact CD1-CD 4.27Å; L361-K365 HydrophobicContact CD1-CG 4.44Å; L361-K365 HydrophobicContact CG-CD 4.29Å; L361-K365 WeakPolarHBondContact O-CB 3.22Å; L361-K365 WeakPolarHBondContact O-CG 3.1Å; L361-K365 PolarHBondContact O-N 2.78Å; L361-V402 HydrophobicContact CB-CG1 3.99Å; L361-V402 HydrophobicContact CD1-CB 4.37Å; L361-V402 HydrophobicContact CD1-CG1 4.45Å; L361-Q405 HydrophobicContact CD1-CB 3.67Å; L361-Q405 VanDerWaalsContact CD2-OE1 3.27Å; L361-T406 HydrophobicContact CD1-CG2 3.93Å
362	Y	92.7	Very high	92.4	Very high	48 Å²	48	32.2 Å²	32.2	19%	0.188	15%	0.153	C	C	.	.	H	α-helix	trans	-63.3	-45.7	177.2	177.8	-88.9	0	0	0	112.2	L310 S311 T358 T359 L360 K365 L366	L310-Y362 HydrophobicContact CD1-CD1 4.47Å; L310-Y362 HydrophobicContact CD1-CD2 4.17Å; L310-Y362 HydrophobicContact CD1-CG 3.89Å; L310-Y362 HydrophobicContact CD2-CD1 3.9Å; L310-Y362 HydrophobicContact CD2-CE1 4.48Å; L310-Y362 HydrophobicContact CD2-CG 4.15Å; L310-Y362 HydrophobicContact CG-CG 4.44Å; S311-Y362 PolarHBondContact O-OH 3.33Å; T358-Y362 VanDerWaalsContact O-CB 3.31Å; T358-Y362 WeakPolarHBondContact O-CB 3.25Å; T358-Y362 PolarHBondContact O-N 3.43Å; T359-Y362 WeakPolarHBondContact O-CB 3.39Å; T359-Y362 PolarHBondContact O-N 3.44Å; L360-Y362 VanDerWaalsContact C-N 3.32Å; L360-Y362 PolarHBondContact O-N 2.59Å; Y362-K365 CarbonylContact O-C 3.51Å; Y362-K365 PolarHBondContact O-N 3.1Å; Y362-L366 HydrophobicContact CE1-CD2 4.11Å; Y362-L366 WeakPolarHBondContact O-CB 3.19Å; Y362-L366 PolarHBondContact O-N 2.98Å
363	E	91.2	Very high	91.9	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-68.6	-35.7	-178.3	-71.7	-179.5	-166.8	0	0	111.9	R303 G339 S340 T359 L360 L366 C367 Y375	R303-E363 WeakPolarHBondContact CD-OE1 3.13Å; R303-E363 HydrophobicContact CG-CG 4.26Å; R303-E363 IonicContact NE-OE1 3.99Å; R303-E363 PolarHBondContact NE-OE1 2.88Å; G339-E363 WeakPolarHBondContact CA-OE2 3.14Å; S340-E363 PolarHBondContact N-OE2 3.02Å; T359-E363 HydrophobicContact CG2-CG 4.37Å; T359-E363 WeakPolarHBondContact CG2-OE1 3.27Å; T359-E363 WeakPolarHBondContact O-CG 3.35Å; T359-E363 PolarHBondContact O-N 3.03Å; L360-E363 PolarHBondContact O-N 2.8Å; E363-L366 WeakPolarHBondContact O-CB 2.94Å; E363-L366 PolarHBondContact O-N 3.32Å; E363-C367 PolarHBondContact O-N 3.42Å; E363-C367 PolarHBondContact O-SG 3.35Å; E363-Y375 HydrophobicContact CB-CE2 3.66Å; E363-Y375 WeakPolarHBondContact OE2-CE2 3.22Å; E363-Y375 PolarHBondContact OE2-OH 2.91Å
364	L	91.3	Very high	91.7	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-69.1	-37.2	171.5	-67.8	171.4	0	0	0	112.8	L360 L366 C367 E368 Y375 V402 T406	L360-L364 HydrophobicContact CD1-CD1 4.3Å; L360-L364 HydrophobicContact CD1-CG 4.47Å; L360-L364 HydrophobicContact CG-CD1 4.22Å; L360-L364 WeakPolarHBondContact O-CG 3.45Å; L360-L364 PolarHBondContact O-N 3.09Å; L364-L366 PolarHBondContact O-N 3.24Å; L364-C367 WeakPolarHBondContact O-CB 3.48Å; L364-C367 PolarHBondContact O-N 3.24Å; L364-E368 PolarHBondContact O-N 2.81Å; L364-Y375 HydrophobicContact CD2-CD1 3.83Å; L364-Y375 HydrophobicContact CD2-CD2 4.41Å; L364-Y375 HydrophobicContact CD2-CG 3.72Å; L364-V402 HydrophobicContact CD1-CB 3.89Å; L364-V402 HydrophobicContact CD1-CG2 3.52Å; L364-T406 HydrophobicContact CB-CG2 4.01Å
365	K	89.5	Confident	91.6	Very high	84 Å²	84	26.2 Å²	26.2	37%	0.365	12%	0.123	S	C	.	.	H	α-helix	trans	-69.7	-18.6	169.4	-73.4	-176.8	172.7	177.3	0	113.3	L361 Y362 E368 R369 Q405 T406	L361-K365 HydrophobicContact CD1-CD 4.27Å; L361-K365 HydrophobicContact CD1-CG 4.44Å; L361-K365 HydrophobicContact CG-CD 4.29Å; L361-K365 WeakPolarHBondContact O-CB 3.22Å; L361-K365 WeakPolarHBondContact O-CG 3.1Å; L361-K365 PolarHBondContact O-N 2.78Å; Y362-K365 CarbonylContact O-C 3.51Å; Y362-K365 PolarHBondContact O-N 3.1Å; K365-E368 WeakPolarHBondContact O-CB 3.31Å; K365-R369 WeakPolarHBondContact O-CG 3.45Å; K365-R369 PolarHBondContact O-N 3.25Å; K365-Q405 VanDerWaalsContact CE-O 3.25Å; K365-Q405 WeakPolarHBondContact CE-O 3.3Å; K365-T406 HydrophobicContact CG-CG2 3.93Å
366	L	88.9	Confident	91.5	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-80.5	-38.2	170.4	-169.1	57.2	0	0	0	110.9	L302 L313 Y362 E363 L364 E368 R369 L370	L302-L366 HydrophobicContact CB-CD2 3.79Å; L302-L366 HydrophobicContact CD1-CB 4.4Å; L302-L366 HydrophobicContact CD1-CD2 4.32Å; L302-L366 HydrophobicContact CD1-CG 4.22Å; L313-L366 HydrophobicContact CB-CD1 3.79Å; L313-L366 HydrophobicContact CD2-CD1 3.75Å; L313-L366 HydrophobicContact CG-CD1 4.42Å; Y362-L366 HydrophobicContact CE1-CD2 4.11Å; Y362-L366 WeakPolarHBondContact O-CB 3.19Å; Y362-L366 PolarHBondContact O-N 2.98Å; E363-L366 WeakPolarHBondContact O-CB 2.94Å; E363-L366 PolarHBondContact O-N 3.32Å; L364-L366 PolarHBondContact O-N 3.24Å; L366-E368 VanDerWaalsContact C-N 3.29Å; L366-E368 PolarHBondContact O-N 3.38Å; L366-R369 PolarHBondContact O-N 3.09Å; L366-L370 HydrophobicContact CD1-CD1 4.47Å; L366-L370 HydrophobicContact CG-CD1 4.11Å; L366-L370 VanDerWaalsContact O-CG 3.32Å; L366-L370 WeakPolarHBondContact O-CG 3.45Å; L366-L370 PolarHBondContact O-N 3.19Å
367	C	90	Very high	91.5	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	11%	0.109	C	C	.	.	H	α-helix	trans	-57.6	-42.3	169	-62.5	0	0	0	0	111.3	L302 E363 L364 R369 L370 G371 L372	L302-C367 VanDerWaalsContact CD1-SG 3.59Å; E363-C367 PolarHBondContact O-N 3.42Å; E363-C367 PolarHBondContact O-SG 3.35Å; L364-C367 WeakPolarHBondContact O-CB 3.48Å; L364-C367 PolarHBondContact O-N 3.24Å; C367-R369 PolarHBondContact O-N 3.12Å; C367-L370 CarbonylContact O-C 3.57Å; C367-L370 PolarHBondContact O-N 3.49Å; C367-G371 PolarHBondContact O-N 2.94Å; C367-L372 HydrophobicContact CB-CB 4.05Å; C367-L372 PolarHBondContact O-N 2.88Å
368	E	85.3	Confident	91.5	Very high	47 Å²	47	22.4 Å²	22.4	22%	0.22	11%	0.108	C	C	.	.	H	α-helix	trans	-48.5	-58.7	169.6	-83.5	173.9	175.8	0	0	112.8	L364 K365 L366 L370 G371 T406 S407 K424	L364-E368 PolarHBondContact O-N 2.81Å; K365-E368 WeakPolarHBondContact O-CB 3.31Å; L366-E368 VanDerWaalsContact C-N 3.29Å; L366-E368 PolarHBondContact O-N 3.38Å; E368-L370 PolarHBondContact O-N 3.29Å; E368-G371 PolarHBondContact O-N 3.18Å; E368-G371 VanDerWaalsContact O-N 3.13Å; E368-T406 WeakPolarHBondContact OE1-CA 3.36Å; E368-T406 VanDerWaalsContact OE1-CB 3.31Å; E368-T406 WeakPolarHBondContact OE1-CB 3.23Å; E368-S407 PolarHBondContact OE1-N 3.36Å; E368-S407 PolarHBondContact OE1-OG 3.31Å; E368-K424 HydrophobicContact CG-CD 3.84Å; E368-K424 IonicContact OE1-NZ 3.37Å; E368-K424 PolarHBondContact OE1-NZ 2.72Å
369	R	85.8	Confident	91.5	Very high	78 Å²	78	18.6 Å²	18.6	29%	0.294	8%	0.084	S	C	.	.	H	α-helix	trans	-63.3	-26.2	-177.3	-70.6	172.3	62.3	-152.8	-1.9	112.5	L313 E315 R322 K365 L366 C367	L313-R369 PolarHBondContact O-NH2 3.4Å; E315-R369 IonicContact OE1-CZ 2.67Å; E315-R369 IonicContact OE1-NE 3.18Å; E315-R369 PolarHBondContact OE1-NE 2.94Å; E315-R369 VanDerWaalsContact OE1-NE 3.17Å; E315-R369 IonicContact OE1-NH2 2.67Å; E315-R369 PolarHBondContact OE1-NH2 3.32Å; R322-R369 PolarHBondContact NH1-O 2.95Å; K365-R369 WeakPolarHBondContact O-CG 3.45Å; K365-R369 PolarHBondContact O-N 3.25Å; L366-R369 PolarHBondContact O-N 3.09Å; C367-R369 PolarHBondContact O-N 3.12Å
370	L	89	Confident	91.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-92.6	-4.6	179.4	-64.6	171.8	0	0	0	113.9	L283 L302 L313 A318 F321 L366 C367 E368 L372	L283-L370 HydrophobicContact CD2-CD1 3.86Å; L283-L370 HydrophobicContact CD2-CD2 4.36Å; L302-L370 HydrophobicContact CD1-CD1 4.09Å; L302-L370 HydrophobicContact CD2-CD1 3.71Å; L302-L370 HydrophobicContact CG-CD1 4.43Å; L313-L370 HydrophobicContact CD2-CD1 4.4Å; L313-L370 HydrophobicContact CD2-CD2 3.84Å; L313-L370 HydrophobicContact CD2-CG 4.4Å; A318-L370 HydrophobicContact CB-CD2 4Å; F321-L370 HydrophobicContact CB-CD2 4.26Å; F321-L370 HydrophobicContact CD1-CB 4.2Å; F321-L370 HydrophobicContact CD1-CD2 3.73Å; F321-L370 HydrophobicContact CD1-CG 4.41Å; F321-L370 HydrophobicContact CE1-CB 4.14Å; F321-L370 HydrophobicContact CE1-CD2 4.43Å; F321-L370 HydrophobicContact CG-CD2 4.18Å; L366-L370 HydrophobicContact CD1-CD1 4.47Å; L366-L370 HydrophobicContact CG-CD1 4.11Å; L366-L370 VanDerWaalsContact O-CG 3.32Å; L366-L370 WeakPolarHBondContact O-CG 3.45Å; L366-L370 PolarHBondContact O-N 3.19Å; C367-L370 CarbonylContact O-C 3.57Å; C367-L370 PolarHBondContact O-N 3.49Å; E368-L370 PolarHBondContact O-N 3.29Å; L370-L372 VanDerWaalsContact C-N 3.35Å; L370-L372 HydrophobicContact CB-CD1 3.92Å; L370-L372 HydrophobicContact CB-CG 3.82Å; L370-L372 HydrophobicContact CD1-CD1 4.24Å
371	G	87.4	Confident	91.7	Very high	5 Å²	5	20 Å²	20	5%	0.052	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	16.2	-177.1	0	0	0	0	0	114.5	S332 C367 E368 F418	S332-G371 WeakPolarHBondContact CB-O 3.22Å; C367-G371 PolarHBondContact O-N 2.94Å; E368-G371 PolarHBondContact O-N 3.18Å; E368-G371 VanDerWaalsContact O-N 3.13Å; G371-F418 WeakPolarHBondContact O-CD1 3.5Å; G371-F418 VanDerWaalsContact O-CE1 3.23Å; G371-F418 WeakPolarHBondContact O-CE1 3.42Å
372	L	89.2	Confident	91.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.			trans	-91	142	-174.1	-53.8	-178.7	0	0	0	111.2	L302 F321 I335 P337 C367 L370	L302-L372 HydrophobicContact CD2-CD1 4.16Å; F321-L372 HydrophobicContact CE1-CD1 4.06Å; F321-L372 HydrophobicContact CE1-CD2 3.99Å; F321-L372 HydrophobicContact CE1-CG 4.31Å; F321-L372 HydrophobicContact CZ-CD1 4.12Å; F321-L372 HydrophobicContact CZ-CD2 4.3Å; I335-L372 HydrophobicContact CB-CD2 3.9Å; I335-L372 HydrophobicContact CD1-CD2 3.62Å; I335-L372 HydrophobicContact CG1-CD2 4.34Å; I335-L372 HydrophobicContact CG2-CD1 4.07Å; I335-L372 HydrophobicContact CG2-CD2 3.84Å; P337-L372 HydrophobicContact CG-CB 4.22Å; P337-L372 HydrophobicContact CG-CD1 3.51Å; P337-L372 HydrophobicContact CG-CG 4.46Å; C367-L372 HydrophobicContact CB-CB 4.05Å; C367-L372 PolarHBondContact O-N 2.88Å; L370-L372 VanDerWaalsContact C-N 3.35Å; L370-L372 HydrophobicContact CB-CD1 3.92Å; L370-L372 HydrophobicContact CB-CG 3.82Å; L370-L372 HydrophobicContact CD1-CD1 4.24Å
373	N	87.7	Confident	92	Very high	24 Å²	24	20 Å²	20	13%	0.128	10%	0.103	C	C	.	.			trans	-117.4	-12.7	-173.3	69.6	-20	0	0	0	114.9	S332 G333 C422 K424 I425	S332-N373 VanDerWaalsContact CB-OD1 3.31Å; S332-N373 WeakPolarHBondContact CB-OD1 3.37Å; S332-N373 PolarHBondContact O-OD1 2.98Å; S332-N373 PolarHBondContact OG-ND2 2.9Å; G333-N373 PolarHBondContact N-OD1 3.13Å; N373-C422 HydrophobicContact CB-CB 3.6Å; N373-K424 WeakPolarHBondContact O-CA 3.48Å; N373-I425 PolarHBondContact O-N 2.76Å
374	L	92.3	Very high	92.3	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.052	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	153.9	170.8	-57.2	179.4	0	0	0	109.7	L336 P337 I425 V427 K497 P541	L336-L374 HydrophobicContact CD1-CB 3.82Å; L336-L374 HydrophobicContact CD1-CD1 4.04Å; P337-L374 VanDerWaalsContact CD-O 3.27Å; P337-L374 WeakPolarHBondContact CD-O 3.47Å; L374-I425 HydrophobicContact CD2-CB 4.2Å; L374-I425 HydrophobicContact CD2-CD1 4.36Å; L374-V427 HydrophobicContact CD2-CG2 4.24Å; L374-K497 HydrophobicContact CD2-CB 4.1Å; L374-K497 HydrophobicContact CD2-CG 4.42Å; L374-P541 HydrophobicContact CD1-CG 3.9Å
375	Y	95	Very high	92.6	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	111.8	169.3	173.1	-89.6	0	0	0	108.4	P337 G339 L343 L360 E363 L364 F377 I425 V427	P337-Y375 HydrophobicContact CB-CD2 3.99Å; P337-Y375 CarbonylContact O-C 3.33Å; P337-Y375 WeakPolarHBondContact O-CA 3.5Å; G339-Y375 VanDerWaalsContact CA-CZ 3.46Å; G339-Y375 WeakPolarHBondContact CA-OH 3.38Å; L343-Y375 VanDerWaalsContact CD1-OH 3.25Å; L343-Y375 WeakPolarHBondContact CD1-OH 3.27Å; L360-Y375 HydrophobicContact CD1-CD1 4.22Å; L360-Y375 HydrophobicContact CD1-CE1 3.34Å; E363-Y375 HydrophobicContact CB-CE2 3.66Å; E363-Y375 WeakPolarHBondContact OE2-CE2 3.22Å; E363-Y375 PolarHBondContact OE2-OH 2.91Å; L364-Y375 HydrophobicContact CD2-CD1 3.83Å; L364-Y375 HydrophobicContact CD2-CD2 4.41Å; L364-Y375 HydrophobicContact CD2-CG 3.72Å; Y375-F377 HydrophobicContact CD1-CD1 4.02Å; Y375-F377 HydrophobicContact CE1-CB 4Å; Y375-F377 AromaticContact CE1-CD1 3.89Å; Y375-F377 HydrophobicContact CE1-CD1 3.89Å; Y375-F377 HydrophobicContact CE1-CG 4.1Å; Y375-I425 PolarHBondContact N-O 3.19Å; Y375-V427 PolarHBondContact O-N 3.1Å
376	V	96.2	Very high	93	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.1	-179.5	69	0	0	0	0	111.4	L336 P337 H338 G339 V427 E429 C461	L336-V376 HydrophobicContact CD1-CB 4.03Å; L336-V376 HydrophobicContact CD1-CG1 4.18Å; L336-V376 HydrophobicContact CD2-CB 4.43Å; L336-V376 HydrophobicContact CD2-CG1 4.06Å; L336-V376 HydrophobicContact CG-CB 4.15Å; L336-V376 HydrophobicContact CG-CG1 3.76Å; P337-V376 PolarHBondContact O-N 3.02Å; H338-V376 CarbonylContact C-O 3.47Å; H338-V376 WeakPolarHBondContact CA-O 3.1Å; H338-V376 HydrophobicContact CB-CG1 3.99Å; G339-V376 PolarHBondContact N-O 3.4Å; V376-V427 WeakPolarHBondContact CA-O 3.28Å; V376-V427 HydrophobicContact CB-CB 4.2Å; V376-V427 HydrophobicContact CG2-CB 4.36Å; V376-V427 HydrophobicContact CG2-CG1 4.26Å; V376-E429 HydrophobicContact CG2-CB 4.01Å; V376-E429 HydrophobicContact CG2-CG 4.37Å; V376-C461 HydrophobicContact CG2-CB 3.59Å
377	F	95.7	Very high	93.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	155	174.3	69.8	-69.3	0	0	0	110.9	P345 Y375 L399 V427 L428 E429	P345-F377 HydrophobicContact CG-CE2 4.21Å; Y375-F377 HydrophobicContact CD1-CD1 4.02Å; Y375-F377 HydrophobicContact CE1-CB 4Å; Y375-F377 AromaticContact CE1-CD1 3.89Å; Y375-F377 HydrophobicContact CE1-CD1 3.89Å; Y375-F377 HydrophobicContact CE1-CG 4.1Å; F377-L399 HydrophobicContact CE1-CD2 4.12Å; F377-L399 HydrophobicContact CE2-CD2 4.48Å; F377-L399 HydrophobicContact CZ-CD1 4.1Å; F377-L399 HydrophobicContact CZ-CD2 3.61Å; F377-L399 HydrophobicContact CZ-CG 4.36Å; F377-V427 PolarHBondContact N-O 3.46Å; F377-V427 VanDerWaalsContact N-O 3.09Å; F377-L428 HydrophobicContact CE1-CD2 4.05Å; F377-L428 HydrophobicContact CE2-CD2 4.17Å; F377-L428 HydrophobicContact CZ-CD2 3.48Å; F377-L428 VanDerWaalsContact CZ-CD2 3.48Å; F377-E429 PolarHBondContact O-N 3.05Å; F377-E429 VanDerWaalsContact O-N 3.12Å
378	H	96.4	Very high	93.8	Very high	49 Å²	49	30.8 Å²	30.8	23%	0.227	18%	0.18	C	C	.	.			trans	-68.2	131.6	172.8	-57.5	174.5	0	0	0	109.8	H338 Y341 G380 E429 M431	H338-H378 AromaticContact CE1-CD2 3.96Å; H338-H378 AromaticContact CE1-NE2 3.79Å; H338-H378 AromaticContact NE2-NE2 3.75Å; Y341-H378 AromaticContact CD1-CE1 3.76Å; Y341-H378 AromaticContact CE1-CE1 3.75Å; H378-G380 VanDerWaalsContact C-N 3.31Å; H378-G380 PolarHBondContact O-N 2.66Å; H378-E429 IonicContact CD2-OE2 3.78Å; H378-E429 IonicContact NE2-OE1 3.61Å; H378-M431 HydrophobicContact CB-CE 3.92Å; H378-M431 HydrophobicContact CB-SD 3.62Å; H378-M431 VanDerWaalsContact CG-CE 3.45Å; H378-M431 WeakPolarHBondContact ND1-CE 3.41Å
379	P	95.6	Very high	94.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.			trans	-57.9	-38.2	-172	-27.8	34.9	0	0	0	114.5	P345 I395 L428 E429 L445 I448	P345-P379 WeakPolarHBondContact CD-O 3.48Å; P345-P379 VanDerWaalsContact CG-O 3.27Å; P345-P379 WeakPolarHBondContact CG-O 3.47Å; P379-I395 HydrophobicContact CB-CD1 4.39Å; P379-I395 VanDerWaalsContact O-CD1 3.28Å; P379-I395 WeakPolarHBondContact O-CD1 3.48Å; P379-I395 WeakPolarHBondContact O-CG1 3.27Å; P379-L428 HydrophobicContact CB-CD2 4.15Å; P379-L428 HydrophobicContact CG-CB 4.33Å; P379-L428 HydrophobicContact CG-CD2 4.13Å; P379-E429 WeakPolarHBondContact CD-O 3.26Å; P379-E429 WeakPolarHBondContact CG-O 3.33Å; P379-L445 HydrophobicContact CG-CD2 3.73Å; P379-I448 HydrophobicContact CB-CD1 3.77Å
380	G	95.7	Very high	95	Very high	7 Å²	7	33.7 Å²	33.7	7%	0.072	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.3	-162.1	175.7	0	0	0	0	0	113.4	N344 H378 V438	N344-G380 WeakPolarHBondContact OD1-CA 3.06Å; H378-G380 VanDerWaalsContact C-N 3.31Å; H378-G380 PolarHBondContact O-N 2.66Å; G380-V438 PolarHBondContact O-N 3.5Å
381	S	97.3	Very high	95.4	Very high	27 Å²	27	33.7 Å²	33.7	19%	0.189	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	136.1	178.6	170.9	0	0	0	0	110.2	N344 C383 N436	N344-S381 PolarHBondContact ND2-O 3.4Å; N344-S381 PolarHBondContact OD1-N 3.23Å; N344-S381 PolarHBondContact OD1-O 3.04Å; S381-C383 PolarHBondContact O-N 3.26Å; S381-C383 PolarHBondContact OG-N 2.87Å; S381-C383 VanDerWaalsContact OG-N 3.15Å; S381-N436 CarbonylContact C-O 3.54Å; S381-N436 VanDerWaalsContact CA-O 3.24Å; S381-N436 WeakPolarHBondContact CA-O 3.48Å; S381-N436 PolarHBondContact OG-O 3.07Å; S381-N436 VanDerWaalsContact OG-O 3.13Å
382	T	97.7	Very high	95.9	Very high	13 Å²	13	33.5 Å²	33.5	8%	0.08	20%	0.195	C	C	.	.			trans	-67.4	-13.5	174	76.6	0	0	0	0	112.2	G384 L385 I386 C391 N436 V438	T382-G384 PolarHBondContact O-N 3.1Å; T382-G384 PolarHBondContact OG1-N 2.89Å; T382-L385 PolarHBondContact O-N 3.1Å; T382-I386 WeakPolarHBondContact CB-O 3.05Å; T382-C391 HydrophobicContact CG2-CB 3.78Å; T382-N436 PolarHBondContact N-O 2.93Å; T382-V438 HydrophobicContact CG2-CG2 3.67Å
383	C	96	Very high	96.3	Very high	61 Å²	61	39.9 Å²	39.9	41%	0.412	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	10.5	-167.8	-63.3	0	0	0	0	114.6	S381 L385	S381-C383 PolarHBondContact O-N 3.26Å; S381-C383 PolarHBondContact OG-N 2.87Å; S381-C383 VanDerWaalsContact OG-N 3.15Å; C383-L385 VanDerWaalsContact C-N 3.28Å; C383-L385 HydrophobicContact CB-CD1 4.02Å; C383-L385 HydrophobicContact CB-CG 4.1Å
384	G	96.2	Very high	96.8	Very high	51 Å²	51	42 Å²	42	53%	0.526	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	14.3	-171.6	0	0	0	0	0	113.8	T382 N436	T382-G384 PolarHBondContact O-N 3.1Å; T382-G384 PolarHBondContact OG1-N 2.89Å; G384-N436 VanDerWaalsContact N-CG 3.29Å; G384-N436 PolarHBondContact N-ND2 3.38Å
385	L	97.5	Very high	97.1	Very high	121 Å²	121	41.5 Å²	41.5	63%	0.634	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-19.8	-172.7	-60.4	176.8	0	0	0	113.9	T348 T382 C383	T348-L385 WeakPolarHBondContact OG1-CD1 3.35Å; T382-L385 PolarHBondContact O-N 3.1Å; C383-L385 VanDerWaalsContact C-N 3.28Å; C383-L385 HydrophobicContact CB-CD1 4.02Å; C383-L385 HydrophobicContact CB-CG 4.1Å
386	I	97.8	Very high	97.2	Very high	29 Å²	29	41.4 Å²	41.4	15%	0.149	23%	0.226	C	C	.	.	S	Bend	trans	-142.3	166.3	-178	54.7	172	0	0	0	110.7	T348 T382 E390 C391	T348-I386 HydrophobicContact CG2-CB 4.48Å; T348-I386 HydrophobicContact CG2-CD1 4.03Å; T348-I386 HydrophobicContact CG2-CG1 4.29Å; T348-I386 HydrophobicContact CG2-CG2 3.45Å; T348-I386 VanDerWaalsContact CG2-CG2 3.45Å; T382-I386 WeakPolarHBondContact CB-O 3.05Å; I386-E390 HydrophobicContact CB-CB 4.31Å; I386-E390 HydrophobicContact CB-CG 4.44Å; I386-E390 HydrophobicContact CD1-CB 4.38Å; I386-E390 HydrophobicContact CD1-CG 4.27Å; I386-E390 WeakPolarHBondContact CG2-OE2 3.3Å; I386-C391 HydrophobicContact CD1-CB 3.76Å; I386-C391 HydrophobicContact CG1-CB 4.23Å
387	T	97.9	Very high	97.3	Very high	78 Å²	78	43.2 Å²	43.2	48%	0.479	25%	0.245	S	C	.	.			trans	-68.7	159.7	173.3	74	0	0	0	0	111.4	E389 E390 C391	T387-E389 VanDerWaalsContact C-N 3.29Å; T387-E389 WeakPolarHBondContact CB-OE2 3.36Å; T387-E389 PolarHBondContact O-N 3.45Å; T387-E389 PolarHBondContact OG1-OE2 2.87Å; T387-E390 PolarHBondContact O-N 3.25Å; T387-E390 PolarHBondContact OG1-N 2.61Å; T387-E390 VanDerWaalsContact OG1-N 3.16Å; T387-C391 WeakPolarHBondContact O-CB 3.05Å; T387-C391 PolarHBondContact O-N 2.94Å
388	T	97.6	Very high	97.3	Very high	42 Å²	42	43.1 Å²	43.1	26%	0.258	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-38.7	176.5	-56.5	0	0	0	0	111.1	C391 C392 V438 E444	T388-C391 WeakPolarHBondContact O-CB 3.43Å; T388-C391 PolarHBondContact O-N 3.17Å; T388-C392 PolarHBondContact O-N 3.39Å; T388-C392 PolarHBondContact O-SG 2.91Å; T388-V438 HydrophobicContact CG2-CG1 4.26Å; T388-V438 HydrophobicContact CG2-CG2 4.32Å; T388-E444 HydrophobicContact CG2-CG 3.88Å
389	E	98	Very high	97.3	Very high	104 Å²	104	40.8 Å²	40.8	49%	0.486	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-40.6	178.6	-58.9	73.7	-163.6	0	0	112.1	T387 K393 L447	T387-E389 VanDerWaalsContact C-N 3.29Å; T387-E389 WeakPolarHBondContact CB-OE2 3.36Å; T387-E389 PolarHBondContact O-N 3.45Å; T387-E389 PolarHBondContact OG1-OE2 2.87Å; E389-K393 WeakPolarHBondContact O-CG 3.4Å; E389-K393 PolarHBondContact O-N 3.48Å; E389-K393 VanDerWaalsContact O-N 3.11Å; E389-L447 HydrophobicContact CG-CD1 4.27Å
390	E	98.1	Very high	97.3	Very high	82 Å²	82	41.6 Å²	41.6	38%	0.383	24%	0.238	S	C	.	.	H	α-helix	trans	-66.1	-40.9	173.4	-171.2	-171.9	158.3	0	0	110.8	I386 T387 K393 R394	I386-E390 HydrophobicContact CB-CB 4.31Å; I386-E390 HydrophobicContact CB-CG 4.44Å; I386-E390 HydrophobicContact CD1-CB 4.38Å; I386-E390 HydrophobicContact CD1-CG 4.27Å; I386-E390 WeakPolarHBondContact CG2-OE2 3.3Å; T387-E390 PolarHBondContact O-N 3.25Å; T387-E390 PolarHBondContact OG1-N 2.61Å; T387-E390 VanDerWaalsContact OG1-N 3.16Å; E390-K393 PolarHBondContact O-N 3.05Å; E390-R394 WeakPolarHBondContact O-CG 3.44Å; E390-R394 PolarHBondContact O-N 2.89Å; E390-R394 IonicContact OE1-NH1 2.62Å
391	C	98.4	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-47.9	176.6	-163.2	0	0	0	0	111.3	G346 T382 I386 T387 T388 K393 R394 I395 V438	G346-C391 VanDerWaalsContact CA-SG 3.59Å; T382-C391 HydrophobicContact CG2-CB 3.78Å; I386-C391 HydrophobicContact CD1-CB 3.76Å; I386-C391 HydrophobicContact CG1-CB 4.23Å; T387-C391 WeakPolarHBondContact O-CB 3.05Å; T387-C391 PolarHBondContact O-N 2.94Å; T388-C391 WeakPolarHBondContact O-CB 3.43Å; T388-C391 PolarHBondContact O-N 3.17Å; C391-K393 VanDerWaalsContact C-N 3.31Å; C391-K393 PolarHBondContact O-N 2.98Å; C391-R394 PolarHBondContact O-N 3.22Å; C391-R394 VanDerWaalsContact O-N 3.13Å; C391-I395 WeakPolarHBondContact O-CD1 3.42Å; C391-I395 VanDerWaalsContact O-CG1 3.22Å; C391-I395 WeakPolarHBondContact O-CG1 3.41Å; C391-I395 PolarHBondContact O-N 3.33Å; C391-V438 HydrophobicContact CB-CG2 4.08Å
392	C	98.3	Very high	97	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	24%	0.236	C	C	.	.	H	α-helix	trans	-57.1	-42.1	175.7	-68.3	0	0	0	0	112.2	T388 I395 A396 V438 E444 L447 I448	T388-C392 PolarHBondContact O-N 3.39Å; T388-C392 PolarHBondContact O-SG 2.91Å; C392-I395 PolarHBondContact O-N 3.16Å; C392-A396 WeakPolarHBondContact O-CB 3.17Å; C392-A396 PolarHBondContact O-N 2.74Å; C392-V438 VanDerWaalsContact SG-CG1 3.55Å; C392-E444 PolarHBondContact SG-O 2.69Å; C392-L447 HydrophobicContact CB-CB 3.93Å; C392-I448 HydrophobicContact CB-CG1 3.7Å
393	K	98	Very high	96.7	Very high	134 Å²	134	42 Å²	42	58%	0.583	24%	0.235	S	C	*	.	H	α-helix	trans	-61.6	-42.6	174.7	-78.5	170.7	178.4	-178.3	0	113.1	E389 E390 C391 A396 G397 D451	E389-K393 WeakPolarHBondContact O-CG 3.4Å; E389-K393 PolarHBondContact O-N 3.48Å; E389-K393 VanDerWaalsContact O-N 3.11Å; E390-K393 PolarHBondContact O-N 3.05Å; C391-K393 VanDerWaalsContact C-N 3.31Å; C391-K393 PolarHBondContact O-N 2.98Å; K393-A396 PolarHBondContact O-N 2.78Å; K393-G397 PolarHBondContact O-N 2.82Å; K393-D451 VanDerWaalsContact CG-OD2 3.28Å; K393-D451 WeakPolarHBondContact CG-OD2 3.41Å
394	R	98.1	Very high	96.5	Very high	68 Å²	68	45.6 Å²	45.6	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-64	-43.6	175.4	-66.9	172.2	80.9	94.4	6.8	111.1	P345 G346 S347 E390 C391 G397 V398	P345-R394 CarbonylContact O-C 3.45Å; G346-R394 PolarHBondContact O-NE 3.47Å; S347-R394 PolarHBondContact O-NE 2.69Å; S347-R394 PolarHBondContact O-NH2 3.17Å; E390-R394 WeakPolarHBondContact O-CG 3.44Å; E390-R394 PolarHBondContact O-N 2.89Å; E390-R394 IonicContact OE1-NH1 2.62Å; C391-R394 PolarHBondContact O-N 3.22Å; C391-R394 VanDerWaalsContact O-N 3.13Å; R394-G397 PolarHBondContact O-N 3.34Å; R394-V398 WeakPolarHBondContact O-CG2 3.34Å; R394-V398 PolarHBondContact O-N 3.36Å
395	I	97.9	Very high	96.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-51	175.8	-63.2	161.8	0	0	0	110.5	P345 P379 C391 C392 G397 V398 L399 V438 I448	P345-I395 HydrophobicContact CB-CG1 4.47Å; P345-I395 HydrophobicContact CG-CG1 4.16Å; P345-I395 HydrophobicContact CG-CG2 4.11Å; P379-I395 HydrophobicContact CB-CD1 4.39Å; P379-I395 VanDerWaalsContact O-CD1 3.28Å; P379-I395 WeakPolarHBondContact O-CD1 3.48Å; P379-I395 WeakPolarHBondContact O-CG1 3.27Å; C391-I395 WeakPolarHBondContact O-CD1 3.42Å; C391-I395 VanDerWaalsContact O-CG1 3.22Å; C391-I395 WeakPolarHBondContact O-CG1 3.41Å; C391-I395 PolarHBondContact O-N 3.33Å; C392-I395 PolarHBondContact O-N 3.16Å; I395-G397 VanDerWaalsContact C-N 3.34Å; I395-G397 PolarHBondContact O-N 3.22Å; I395-V398 PolarHBondContact O-N 3.49Å; I395-L399 HydrophobicContact CG2-CD1 3.74Å; I395-L399 HydrophobicContact CG2-CG 4.46Å; I395-L399 WeakPolarHBondContact O-CG 3.45Å; I395-L399 PolarHBondContact O-N 3.12Å; I395-V438 HydrophobicContact CD1-CB 4.3Å; I395-V438 HydrophobicContact CD1-CG1 4.06Å; I395-I448 HydrophobicContact CB-CD1 4.44Å; I395-I448 HydrophobicContact CB-CG1 4.49Å; I395-I448 HydrophobicContact CB-CG2 4.49Å; I395-I448 HydrophobicContact CD1-CD1 4.02Å; I395-I448 HydrophobicContact CG2-CD1 4.02Å; I395-I448 HydrophobicContact CG2-CG1 4.35Å; I395-I448 HydrophobicContact CG2-CG2 3.85Å
396	A	97.6	Very high	95.7	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-40.4	177.5	0	0	0	0	0	112.5	C392 K393 V398 L399 N400 I448 D451 I452	C392-A396 WeakPolarHBondContact O-CB 3.17Å; C392-A396 PolarHBondContact O-N 2.74Å; K393-A396 PolarHBondContact O-N 2.78Å; A396-V398 PolarHBondContact O-N 3.36Å; A396-L399 PolarHBondContact O-N 3.39Å; A396-N400 WeakPolarHBondContact O-CB 3.22Å; A396-N400 PolarHBondContact O-N 2.88Å; A396-N400 PolarHBondContact O-ND2 3.3Å; A396-I448 HydrophobicContact CB-CG2 4.37Å; A396-D451 HydrophobicContact CB-CB 3.51Å; A396-I452 HydrophobicContact CB-CD1 4.05Å
397	G	97.4	Very high	94.5	Very high	37 Å²	37	43.5 Å²	43.5	38%	0.381	22%	0.222	S	C	.	.	H	α-helix	trans	-60.6	-43.1	174.8	0	0	0	0	0	113.6	K393 R394 I395 M401	K393-G397 PolarHBondContact O-N 2.82Å; R394-G397 PolarHBondContact O-N 3.34Å; I395-G397 VanDerWaalsContact C-N 3.34Å; I395-G397 PolarHBondContact O-N 3.22Å; G397-M401 WeakPolarHBondContact O-CB 3.45Å; G397-M401 PolarHBondContact O-N 2.81Å; G397-M401 VanDerWaalsContact O-N 3.13Å
398	V	96.5	Very high	92.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-40.1	173.5	173.7	0	0	0	0	111.2	P345 Y353 K357 L360 R394 I395 A396 M401 V402	P345-V398 HydrophobicContact CB-CB 3.81Å; P345-V398 HydrophobicContact CB-CG1 3.8Å; P345-V398 HydrophobicContact CB-CG2 4Å; Y353-V398 HydrophobicContact CD2-CG2 4.38Å; Y353-V398 HydrophobicContact CE2-CG2 3.49Å; Y353-V398 VanDerWaalsContact CE2-CG2 3.49Å; Y353-V398 WeakPolarHBondContact OH-CG2 3.47Å; K357-V398 HydrophobicContact CD-CG2 4.43Å; K357-V398 HydrophobicContact CG-CG1 4.02Å; K357-V398 HydrophobicContact CG-CG2 3.9Å; L360-V398 HydrophobicContact CD2-CG1 3.95Å; R394-V398 WeakPolarHBondContact O-CG2 3.34Å; R394-V398 PolarHBondContact O-N 3.36Å; I395-V398 PolarHBondContact O-N 3.49Å; A396-V398 PolarHBondContact O-N 3.36Å; V398-M401 HydrophobicContact CG1-CE 4.25Å; V398-M401 WeakPolarHBondContact O-CB 3.17Å; V398-M401 PolarHBondContact O-N 2.93Å; V398-V402 PolarHBondContact O-N 3.41Å
399	L	95.3	Very high	90.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-46.7	179.5	-71.2	167.4	0	0	0	112.3	L360 F377 I395 A396 M401 V402 I403 L428 I448 I452 I458	L360-L399 HydrophobicContact CD2-CD2 4.13Å; F377-L399 HydrophobicContact CE1-CD2 4.12Å; F377-L399 HydrophobicContact CE2-CD2 4.48Å; F377-L399 HydrophobicContact CZ-CD1 4.1Å; F377-L399 HydrophobicContact CZ-CD2 3.61Å; F377-L399 HydrophobicContact CZ-CG 4.36Å; I395-L399 HydrophobicContact CG2-CD1 3.74Å; I395-L399 HydrophobicContact CG2-CG 4.46Å; I395-L399 WeakPolarHBondContact O-CG 3.45Å; I395-L399 PolarHBondContact O-N 3.12Å; A396-L399 PolarHBondContact O-N 3.39Å; L399-M401 PolarHBondContact O-N 3.29Å; L399-V402 HydrophobicContact CD2-CG2 4.47Å; L399-V402 WeakPolarHBondContact O-CG2 3.37Å; L399-V402 PolarHBondContact O-N 3.47Å; L399-I403 VanDerWaalsContact O-CB 3.26Å; L399-I403 WeakPolarHBondContact O-CB 3.48Å; L399-I403 WeakPolarHBondContact O-CD1 3.36Å; L399-I403 WeakPolarHBondContact O-CG1 3.24Å; L399-I403 PolarHBondContact O-N 3.46Å; L399-L428 HydrophobicContact CD1-CD2 4.1Å; L399-I448 HydrophobicContact CD1-CG2 3.94Å; L399-I452 HydrophobicContact CB-CD1 3.59Å; L399-I452 HydrophobicContact CD1-CD1 4Å; L399-I452 HydrophobicContact CG-CD1 4.46Å; L399-I458 HydrophobicContact CD1-CD1 4.02Å
400	N	96.1	Very high	87.5	Confident	16 Å²	16	40.2 Å²	40.2	9%	0.086	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-38.4	173.1	-73.2	-32.1	0	0	0	111.7	A396 K404 D451 I452 E453	A396-N400 WeakPolarHBondContact O-CB 3.22Å; A396-N400 PolarHBondContact O-N 2.88Å; A396-N400 PolarHBondContact O-ND2 3.3Å; N400-K404 WeakPolarHBondContact O-CB 3.12Å; N400-K404 WeakPolarHBondContact O-CD 3.25Å; N400-K404 VanDerWaalsContact O-CG 3.23Å; N400-K404 WeakPolarHBondContact O-CG 3.25Å; N400-K404 PolarHBondContact O-N 3.22Å; N400-D451 PolarHBondContact ND2-O 3.29Å; N400-I452 WeakPolarHBondContact OD1-CA 3.46Å; N400-E453 PolarHBondContact OD1-N 3.29Å
401	M	94.9	Very high	84.3	Confident	47 Å²	47	43.2 Å²	43.2	23%	0.232	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-49.9	175.4	177.5	-77.6	-63.4	0	0	112.5	K357 G397 V398 L399 K404 Q405	K357-M401 HydrophobicContact CB-CE 3.64Å; K357-M401 HydrophobicContact CD-CE 4.07Å; K357-M401 HydrophobicContact CG-CE 3.64Å; G397-M401 WeakPolarHBondContact O-CB 3.45Å; G397-M401 PolarHBondContact O-N 2.81Å; G397-M401 VanDerWaalsContact O-N 3.13Å; V398-M401 HydrophobicContact CG1-CE 4.25Å; V398-M401 WeakPolarHBondContact O-CB 3.17Å; V398-M401 PolarHBondContact O-N 2.93Å; L399-M401 PolarHBondContact O-N 3.29Å; M401-K404 PolarHBondContact O-N 3Å; M401-Q405 WeakPolarHBondContact O-CG 3.4Å; M401-Q405 PolarHBondContact O-N 3.3Å; M401-Q405 PolarHBondContact SD-NE2 3.43Å
402	V	92.3	Very high	81.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-71	-32.7	179.7	-58.6	0	0	0	0	112.3	L360 L361 L364 V398 L399 Q405 T406	L360-V402 HydrophobicContact CB-CG1 4.38Å; L360-V402 HydrophobicContact CD2-CG1 4.12Å; L360-V402 HydrophobicContact CD2-CG2 4Å; L360-V402 HydrophobicContact CG-CG1 4.11Å; L360-V402 HydrophobicContact CG-CG2 4.25Å; L361-V402 HydrophobicContact CB-CG1 3.99Å; L361-V402 HydrophobicContact CD1-CB 4.37Å; L361-V402 HydrophobicContact CD1-CG1 4.45Å; L364-V402 HydrophobicContact CD1-CB 3.89Å; L364-V402 HydrophobicContact CD1-CG2 3.52Å; V398-V402 PolarHBondContact O-N 3.41Å; L399-V402 HydrophobicContact CD2-CG2 4.47Å; L399-V402 WeakPolarHBondContact O-CG2 3.37Å; L399-V402 PolarHBondContact O-N 3.47Å; V402-Q405 CarbonylContact O-C 3.55Å; V402-Q405 PolarHBondContact O-N 3.21Å; V402-T406 PolarHBondContact O-N 3.07Å; V402-T406 PolarHBondContact O-OG1 3.18Å
403	I	90.7	Very high	78	Confident	10 Å²	10	51.7 Å²	51.7	5%	0.051	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-46.7	175.7	-75	167	0	0	0	110.4	L399 Q405 T406 I452 D454 R457	L399-I403 VanDerWaalsContact O-CB 3.26Å; L399-I403 WeakPolarHBondContact O-CB 3.48Å; L399-I403 WeakPolarHBondContact O-CD1 3.36Å; L399-I403 WeakPolarHBondContact O-CG1 3.24Å; L399-I403 PolarHBondContact O-N 3.46Å; I403-Q405 PolarHBondContact O-N 3.06Å; I403-T406 PolarHBondContact O-N 3.1Å; I403-T406 PolarHBondContact O-OG1 3.48Å; I403-I452 HydrophobicContact CD1-CG2 4.06Å; I403-D454 HydrophobicContact CG2-CB 4.16Å; I403-R457 HydrophobicContact CD1-CB 3.99Å; I403-R457 HydrophobicContact CG1-CB 4.14Å; I403-R457 HydrophobicContact CG2-CB 4.13Å; I403-R457 HydrophobicContact CG2-CG 4.07Å; I403-R457 PolarHBondContact O-NH1 2.72Å; I403-R457 PolarHBondContact O-NH2 3.08Å
404	K	91.4	Very high	75.1	Confident	136 Å²	136	54.2 Å²	54.2	59%	0.591	29%	0.291	S	S	*	.	H	α-helix	trans	-62.8	-25.7	176.1	-75	168.2	178.5	172.9	0	113.9	N400 M401 E453	N400-K404 WeakPolarHBondContact O-CB 3.12Å; N400-K404 WeakPolarHBondContact O-CD 3.25Å; N400-K404 VanDerWaalsContact O-CG 3.23Å; N400-K404 WeakPolarHBondContact O-CG 3.25Å; N400-K404 PolarHBondContact O-N 3.22Å; M401-K404 PolarHBondContact O-N 3Å; K404-E453 WeakPolarHBondContact CE-OE1 3.32Å; K404-E453 WeakPolarHBondContact CE-OE2 3.46Å; K404-E453 IonicContact NZ-OE1 2.69Å; K404-E453 PolarHBondContact NZ-OE1 3.14Å; K404-E453 IonicContact NZ-OE2 3.43Å; K404-E453 PolarHBondContact NZ-OE2 2.8Å
405	Q	90.9	Very high	72.5	Confident	98 Å²	98	56.4 Å²	56.4	46%	0.458	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.6	-176.8	-67	-172.3	46.5	0	0	114.6	L361 K365 M401 V402 I403	L361-Q405 HydrophobicContact CD1-CB 3.67Å; L361-Q405 VanDerWaalsContact CD2-OE1 3.27Å; K365-Q405 VanDerWaalsContact CE-O 3.25Å; K365-Q405 WeakPolarHBondContact CE-O 3.3Å; M401-Q405 WeakPolarHBondContact O-CG 3.4Å; M401-Q405 PolarHBondContact O-N 3.3Å; M401-Q405 PolarHBondContact SD-NE2 3.43Å; V402-Q405 CarbonylContact O-C 3.55Å; V402-Q405 PolarHBondContact O-N 3.21Å; I403-Q405 PolarHBondContact O-N 3.06Å
406	T	86.4	Confident	69.6	Low	11 Å²	11	59.7 Å²	59.7	7%	0.067	33%	0.334	C	S	.	.	S	Bend	trans	-134.8	144	178.4	48.7	0	0	0	0	110.7	L361 L364 K365 E368 V402 I403 R457	L361-T406 HydrophobicContact CD1-CG2 3.93Å; L364-T406 HydrophobicContact CB-CG2 4.01Å; K365-T406 HydrophobicContact CG-CG2 3.93Å; E368-T406 WeakPolarHBondContact OE1-CA 3.36Å; E368-T406 VanDerWaalsContact OE1-CB 3.31Å; E368-T406 WeakPolarHBondContact OE1-CB 3.23Å; V402-T406 PolarHBondContact O-N 3.07Å; V402-T406 PolarHBondContact O-OG1 3.18Å; I403-T406 PolarHBondContact O-N 3.1Å; I403-T406 PolarHBondContact O-OG1 3.48Å; T406-R457 PolarHBondContact O-NH1 3.06Å; T406-R457 PolarHBondContact OG1-NH2 3.05Å
407	S	71.8	Confident	67.2	Low	48 Å²	48	64.5 Å²	64.5	34%	0.336	36%	0.355	S	S	.	.			trans	-70.9	151.1	-171.5	70.8	0	0	0	0	113.1	E368 V409 K424	E368-S407 PolarHBondContact OE1-N 3.36Å; E368-S407 PolarHBondContact OE1-OG 3.31Å; S407-V409 VanDerWaalsContact C-N 3.31Å; S407-V409 WeakPolarHBondContact CB-O 3.48Å; S407-V409 PolarHBondContact OG-O 3.34Å; S407-K424 PolarHBondContact O-NZ 3Å; S407-K424 PolarHBondContact OG-NZ 3.45Å
408	S	58.3	Low	64.8	Low	57 Å²	57	64.2 Å²	64.2	40%	0.399	34%	0.343	S	S	.	.	S	Bend	trans	-86.8	-3.6	164.4	52	0	0	0	0	113.1	C422 S423	S408-C422 CarbonylContact O-C 3.41Å; S408-S423 PolarHBondContact O-N 2.88Å
409	V	45.5	Very low	61.9	Low	71 Å²	71	70.7 Å²	70.7	43%	0.43	37%	0.373	S	S	.	.	S	Bend	trans	-130.1	124.2	-175.8	-177.2	0	0	0	0	109.1	S407 I411	S407-V409 VanDerWaalsContact C-N 3.31Å; S407-V409 WeakPolarHBondContact CB-O 3.48Å; S407-V409 PolarHBondContact OG-O 3.34Å; V409-I411 PolarHBondContact O-N 2.67Å
410	T	43.3	Very low	59.2	Low	27 Å²	27	75.3 Å²	75.3	17%	0.166	40%	0.402	C	S	.	.			trans	-76.1	117.2	166.1	-52.3	0	0	0	0	108.2	C412	T410-C412 PolarHBondContact O-N 2.81Å
411	I	31.4	Very low	56.2	Low	145 Å²	145	80.1 Å²	80.1	74%	0.744	43%	0.432	S	S	*	.			trans	-83.4	105.7	171.6	-58.6	176.1	0	0	0	107.1	V409	V409-I411 PolarHBondContact O-N 2.67Å
412	C	33.2	Very low	53.4	Low	45 Å²	45	78.4 Å²	78.4	30%	0.304	42%	0.424	S	S	.	.			trans	-98.6	121.1	170	-66.4	0	0	0	0	109.2	T410 E414 F418	T410-C412 PolarHBondContact O-N 2.81Å; C412-E414 PolarHBondContact O-N 3.33Å; C412-F418 PolarHBondContact SG-O 3.38Å; C412-F418 VanDerWaalsContact SG-O 3.42Å
413	N	30.6	Very low	51.3	Low	134 Å²	134	80.1 Å²	80.1	72%	0.717	44%	0.436	S	S	*	.			trans	-75.8	116.9	171.8	-63.3	-1.9	0	0	0	108.7	S415	N413-S415 VanDerWaalsContact C-N 3.27Å; N413-S415 PolarHBondContact O-N 3.41Å; N413-S415 PolarHBondContact O-OG 3.4Å
414	E	37.9	Very low	50	Low	187 Å²	187	79.8 Å²	79.8	87%	0.874	43%	0.434	S	S	*	.	S	Bend	trans	35	-35.3	166.2	-60.2	-171	160.2	0	0	122.6	C412 N416	C412-E414 PolarHBondContact O-N 3.33Å; E414-N416 PolarHBondContact O-N 2.94Å; E414-N416 PolarHBondContact O-ND2 3.18Å
415	S	42.7	Very low	48.8	Very low	114 Å²	114	74.6 Å²	74.6	80%	0.797	41%	0.412	S	S	*	.	S	Bend	trans	-78.7	51	174.2	48.1	0	0	0	0	112.7	N413 F417	N413-S415 VanDerWaalsContact C-N 3.27Å; N413-S415 PolarHBondContact O-N 3.41Å; N413-S415 PolarHBondContact O-OG 3.4Å; S415-F417 PolarHBondContact O-N 2.97Å
416	N	37.6	Very low	48.1	Very low	69 Å²	69	69.9 Å²	69.9	37%	0.369	39%	0.39	S	S	.	.			trans	-59.3	111.8	-167.2	-75.4	-61.4	0	0	0	115.3	E414 Q419	E414-N416 PolarHBondContact O-N 2.94Å; E414-N416 PolarHBondContact O-ND2 3.18Å; N416-Q419 HydrophobicContact CB-CB 4.16Å; N416-Q419 PolarHBondContact ND2-NE2 2.6Å; N416-Q419 PolarHBondContact OD1-NE2 3.24Å
417	F	47.3	Very low	47.9	Very low	102 Å²	102	69.4 Å²	69.4	45%	0.447	39%	0.387	S	S	.	.	S	Bend	trans	-124.2	-36.3	154.5	-164.6	-106.5	0	0	0	112.4	Q326 S415 Q419	Q326-F417 HydrophobicContact CB-CD1 4.17Å; Q326-F417 HydrophobicContact CG-CB 4.27Å; Q326-F417 HydrophobicContact CG-CD1 3.86Å; Q326-F417 HydrophobicContact CG-CD2 4.36Å; Q326-F417 HydrophobicContact CG-CE1 4.26Å; Q326-F417 HydrophobicContact CG-CG 3.91Å; S415-F417 PolarHBondContact O-N 2.97Å; F417-Q419 PolarHBondContact O-N 2.99Å
418	F	46.8	Very low	49	Very low	31 Å²	31	67.1 Å²	67.1	14%	0.136	37%	0.371	C	S	.	.	S	Bend	trans	-78.7	40.5	170.7	-82.9	-94.9	0	0	0	113.1	C325 G371 C412 T420	C325-F418 HydrophobicContact CB-CE2 4.33Å; C325-F418 HydrophobicContact CB-CZ 4.23Å; G371-F418 WeakPolarHBondContact O-CD1 3.5Å; G371-F418 VanDerWaalsContact O-CE1 3.23Å; G371-F418 WeakPolarHBondContact O-CE1 3.42Å; C412-F418 PolarHBondContact SG-O 3.38Å; C412-F418 VanDerWaalsContact SG-O 3.42Å; F418-T420 PolarHBondContact O-N 3.38Å; F418-T420 VanDerWaalsContact O-N 3.1Å
419	Q	36	Very low	50.9	Low	137 Å²	137	64.4 Å²	64.4	64%	0.64	35%	0.352	S	S	*	.			trans	-87	76.3	178.4	-165.7	163.8	58.5	0	0	110.7	N416 F417	N416-Q419 HydrophobicContact CB-CB 4.16Å; N416-Q419 PolarHBondContact ND2-NE2 2.6Å; N416-Q419 PolarHBondContact OD1-NE2 3.24Å; F417-Q419 PolarHBondContact O-N 2.99Å
420	T	37.3	Very low	53.4	Low	96 Å²	96	61.1 Å²	61.1	59%	0.589	33%	0.332	S	S	*	.	S	Bend	trans	-146.7	130.1	169	-59.8	0	0	0	0	109.6	F418 C422	F418-T420 PolarHBondContact O-N 3.38Å; F418-T420 VanDerWaalsContact O-N 3.1Å; T420-C422 PolarHBondContact O-N 3.36Å; T420-C422 PolarHBondContact O-SG 3.48Å
421	V	33.6	Very low	56	Low	118 Å²	118	60.2 Å²	60.2	72%	0.715	33%	0.327	S	S	*	.			trans	-59.1	108.6	174.6	-176.7	0	0	0	0	108.6
422	C	36.6	Very low	59.1	Low	10 Å²	10	53.4 Å²	53.4	7%	0.068	29%	0.292	C	S	.	.			trans	-123.7	89.8	-171.6	-77.6	0	0	0	0	110.6	N373 S408 T420 K424	N373-C422 HydrophobicContact CB-CB 3.6Å; S408-C422 CarbonylContact O-C 3.41Å; T420-C422 PolarHBondContact O-N 3.36Å; T420-C422 PolarHBondContact O-SG 3.48Å; C422-K424 PolarHBondContact O-N 2.67Å
423	S	48.4	Very low	62.1	Low	36 Å²	36	51.8 Å²	51.8	25%	0.252	28%	0.282	S	S	.	.			trans	-49.4	121.7	157.1	-79.7	0	0	0	0	108.5	S408 I425	S408-S423 PolarHBondContact O-N 2.88Å; S423-I425 VanDerWaalsContact O-CG1 3.32Å; S423-I425 WeakPolarHBondContact O-CG1 3.46Å; S423-I425 PolarHBondContact O-N 2.7Å
424	K	63.1	Low	65.1	Low	4 Å²	4	47.4 Å²	47.4	2%	0.017	26%	0.258	C	S	.	.			trans	-76.3	118.1	178.9	-57.8	-166.9	-163.6	85.9	0	108.7	E368 N373 S407 C422 R457	E368-K424 HydrophobicContact CG-CD 3.84Å; E368-K424 IonicContact OE1-NZ 3.37Å; E368-K424 PolarHBondContact OE1-NZ 2.72Å; N373-K424 WeakPolarHBondContact O-CA 3.48Å; S407-K424 PolarHBondContact O-NZ 3Å; S407-K424 PolarHBondContact OG-NZ 3.45Å; C422-K424 PolarHBondContact O-N 2.67Å; K424-R457 WeakPolarHBondContact O-CD 3.42Å; K424-R457 PolarHBondContact O-NE 3.19Å
425	I	66.3	Low	67.7	Low	26 Å²	26	42.2 Å²	42.2	13%	0.133	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	109.6	-174.6	-45	-176.3	0	0	0	107.1	N373 L374 Y375 S423 V427 R457 I458 K497	N373-I425 PolarHBondContact O-N 2.76Å; L374-I425 HydrophobicContact CD2-CB 4.2Å; L374-I425 HydrophobicContact CD2-CD1 4.36Å; Y375-I425 PolarHBondContact N-O 3.19Å; S423-I425 VanDerWaalsContact O-CG1 3.32Å; S423-I425 WeakPolarHBondContact O-CG1 3.46Å; S423-I425 PolarHBondContact O-N 2.7Å; I425-V427 HydrophobicContact CB-CG2 4.44Å; I425-V427 HydrophobicContact CG2-CG2 4.24Å; I425-V427 WeakPolarHBondContact O-CG2 3.4Å; I425-V427 PolarHBondContact O-N 3.45Å; I425-R457 WeakPolarHBondContact CA-O 3.37Å; I425-I458 WeakPolarHBondContact CG2-O 3.43Å; I425-K497 HydrophobicContact CD1-CD 3.71Å; I425-K497 HydrophobicContact CD1-CG 4.32Å; I425-K497 HydrophobicContact CG2-CD 4.46Å; I425-K497 HydrophobicContact CG2-CG 4.02Å
426	S	76.4	Confident	70.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	119.3	163	-68.7	0	0	0	0	107.3	R457 I458 G459	S426-R457 PolarHBondContact N-O 3.27Å; S426-I458 CarbonylContact O-C 3.56Å; S426-I458 WeakPolarHBondContact O-CA 3.44Å; S426-I458 WeakPolarHBondContact O-CD1 3.18Å; S426-G459 PolarHBondContact O-N 3.39Å
427	V	82.7	Confident	73.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.9	-173.5	-173.2	0	0	0	0	108.3	L374 Y375 V376 F377 I425 G459 C461 K497	L374-V427 HydrophobicContact CD2-CG2 4.24Å; Y375-V427 PolarHBondContact O-N 3.1Å; V376-V427 WeakPolarHBondContact CA-O 3.28Å; V376-V427 HydrophobicContact CB-CB 4.2Å; V376-V427 HydrophobicContact CG2-CB 4.36Å; V376-V427 HydrophobicContact CG2-CG1 4.26Å; F377-V427 PolarHBondContact N-O 3.46Å; F377-V427 VanDerWaalsContact N-O 3.09Å; I425-V427 HydrophobicContact CB-CG2 4.44Å; I425-V427 HydrophobicContact CG2-CG2 4.24Å; I425-V427 WeakPolarHBondContact O-CG2 3.4Å; I425-V427 PolarHBondContact O-N 3.45Å; V427-G459 WeakPolarHBondContact CA-O 3.45Å; V427-C461 HydrophobicContact CG1-CB 3.62Å; V427-K497 HydrophobicContact CG1-CB 4.27Å; V427-K497 HydrophobicContact CG2-CB 4Å; V427-K497 HydrophobicContact CG2-CG 4.27Å
428	L	94.5	Very high	75.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122	175.3	-64.1	170.1	0	0	0	109.1	F377 P379 L399 L445 I448 I449 I458 G459 V460 C461	F377-L428 HydrophobicContact CE1-CD2 4.05Å; F377-L428 HydrophobicContact CE2-CD2 4.17Å; F377-L428 HydrophobicContact CZ-CD2 3.48Å; F377-L428 VanDerWaalsContact CZ-CD2 3.48Å; P379-L428 HydrophobicContact CB-CD2 4.15Å; P379-L428 HydrophobicContact CG-CB 4.33Å; P379-L428 HydrophobicContact CG-CD2 4.13Å; L399-L428 HydrophobicContact CD1-CD2 4.1Å; L428-L445 HydrophobicContact CB-CD2 4.08Å; L428-I448 HydrophobicContact CD1-CB 4.06Å; L428-I448 HydrophobicContact CD1-CD1 4.41Å; L428-I448 HydrophobicContact CD1-CG2 3.8Å; L428-I448 HydrophobicContact CD2-CD1 4.49Å; L428-I448 HydrophobicContact CD2-CG2 4.41Å; L428-I449 HydrophobicContact CD1-CD1 4.5Å; L428-I449 HydrophobicContact CD1-CG1 3.98Å; L428-I458 HydrophobicContact CD1-CD1 4.13Å; L428-I458 HydrophobicContact CD1-CG1 4.13Å; L428-I458 HydrophobicContact CG-CD1 4.08Å; L428-I458 HydrophobicContact CG-CG1 4.43Å; L428-G459 PolarHBondContact N-O 2.63Å; L428-V460 CarbonylContact O-C 3.57Å; L428-V460 VanDerWaalsContact O-CA 3.22Å; L428-V460 WeakPolarHBondContact O-CA 3.34Å; L428-V460 WeakPolarHBondContact O-CG1 3.47Å; L428-C461 PolarHBondContact O-N 3.31Å
429	E	97.4	Very high	77.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	144.5	171.3	-155.8	178.1	123.6	0	0	111.4	H338 V376 F377 H378 P379 C461 D463 H466 H500	H338-E429 IonicContact NE2-OE2 3.54Å; V376-E429 HydrophobicContact CG2-CB 4.01Å; V376-E429 HydrophobicContact CG2-CG 4.37Å; F377-E429 PolarHBondContact O-N 3.05Å; F377-E429 VanDerWaalsContact O-N 3.12Å; H378-E429 IonicContact CD2-OE2 3.78Å; H378-E429 IonicContact NE2-OE1 3.61Å; P379-E429 WeakPolarHBondContact CD-O 3.26Å; P379-E429 WeakPolarHBondContact CG-O 3.33Å; E429-C461 HydrophobicContact CB-CB 4.41Å; E429-C461 HydrophobicContact CG-CB 4.12Å; E429-D463 HydrophobicContact CG-CB 4.32Å; E429-H466 IonicContact OE1-CE1 3.88Å; E429-H466 PolarHBondContact OE1-CE1 3.27Å; E429-H466 IonicContact OE1-ND1 4Å; E429-H466 PolarHBondContact OE1-ND1 3.36Å; E429-H500 IonicContact OE1-ND1 2.66Å; E429-H500 IonicContact OE2-CE1 3.78Å; E429-H500 PolarHBondContact OE2-CE1 3.2Å; E429-H500 IonicContact OE2-ND1 2.79Å; E429-H500 PolarHBondContact OE2-ND1 2.86Å
430	N	97.8	Very high	80.8	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.011	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-76	147.9	166.4	76.3	-86.5	0	0	0	110.4	G439 L445 C461 L462 D463 H466 I467	N430-G439 CarbonylContact C-O 3.54Å; N430-G439 WeakPolarHBondContact CA-O 3.38Å; N430-L445 HydrophobicContact CB-CD1 3.93Å; N430-C461 PolarHBondContact N-O 3.4Å; N430-C461 PolarHBondContact OD1-O 2.81Å; N430-L462 VanDerWaalsContact OD1-CA 3.3Å; N430-L462 WeakPolarHBondContact OD1-CA 3.5Å; N430-D463 PolarHBondContact OD1-N 3.3Å; N430-H466 WeakPolarHBondContact ND2-CB 3.27Å; N430-H466 WeakPolarHBondContact O-CB 3.27Å; N430-H466 PolarHBondContact O-ND1 2.83Å; N430-I467 WeakPolarHBondContact ND2-CG1 3.29Å; N430-I467 PolarHBondContact ND2-N 2.75Å
431	M	98	Very high	83.7	Confident	9 Å²	9	27.9 Å²	27.9	4%	0.044	17%	0.171	C	C	.	.			trans	-110.2	152.6	-174.2	-55.2	-48.6	-51	0	0	112.3	H378 G433 V438 G439 R440	H378-M431 HydrophobicContact CB-CE 3.92Å; H378-M431 HydrophobicContact CB-SD 3.62Å; H378-M431 VanDerWaalsContact CG-CE 3.45Å; H378-M431 WeakPolarHBondContact ND1-CE 3.41Å; M431-G433 PolarHBondContact O-N 2.67Å; M431-G433 VanDerWaalsContact O-N 3.12Å; M431-V438 VanDerWaalsContact CG-O 3.23Å; M431-V438 WeakPolarHBondContact CG-O 3.36Å; M431-G439 PolarHBondContact N-O 2.87Å; M431-R440 WeakPolarHBondContact O-CA 3.5Å
432	A	97.5	Very high	86.8	Confident	2 Å²	2	22.3 Å²	22.3	2%	0.017	14%	0.137	C	C	.	.			trans	-63.9	-13.7	172.8	0	0	0	0	0	114.3	H466 D469 S470 H511 D513	A432-H466 HydrophobicContact CB-CB 4.48Å; A432-D469 HydrophobicContact CB-CB 3.81Å; A432-S470 WeakPolarHBondContact O-CA 3.25Å; A432-H511 WeakPolarHBondContact O-CA 3.45Å; A432-H511 PolarHBondContact O-ND1 2.69Å; A432-D513 HydrophobicContact CB-CB 3.76Å
433	G	95.7	Very high	89.7	Confident	10 Å²	10	25.6 Å²	25.6	10%	0.103	15%	0.151	C	C	.	.			trans	80.4	25.8	-173.3	0	0	0	0	0	114.2	M431 G435 T437	M431-G433 PolarHBondContact O-N 2.67Å; M431-G433 VanDerWaalsContact O-N 3.12Å; G433-G435 PolarHBondContact O-N 3.36Å; G433-T437 WeakPolarHBondContact CA-OG1 3.09Å
434	Q	93.2	Very high	92.1	Very high	42 Å²	42	24.6 Å²	24.6	20%	0.196	14%	0.143	C	C	.	.			trans	-60.3	125.9	171.6	-75.9	-174.6	24.4	0	0	110.4	N436 T437 H511 D513	Q434-N436 PolarHBondContact O-N 3.29Å; Q434-N436 VanDerWaalsContact O-N 3.13Å; Q434-T437 PolarHBondContact N-OG1 3.2Å; Q434-T437 WeakPolarHBondContact O-CB 3.46Å; Q434-T437 WeakPolarHBondContact O-CG2 3.09Å; Q434-T437 PolarHBondContact O-N 2.94Å; Q434-T437 VanDerWaalsContact O-N 3.17Å; Q434-T437 PolarHBondContact O-OG1 3.4Å; Q434-H511 VanDerWaalsContact CG-O 3.28Å; Q434-H511 WeakPolarHBondContact CG-O 3.2Å; Q434-D513 VanDerWaalsContact NE2-CG 3.25Å; Q434-D513 VanDerWaalsContact NE2-N 3.11Å; Q434-D513 PolarHBondContact NE2-O 2.89Å; Q434-D513 VanDerWaalsContact NE2-O 3.15Å; Q434-D513 PolarHBondContact NE2-OD2 3.17Å
435	G	93.7	Very high	93.8	Very high	78 Å²	78	24.4 Å²	24.4	80%	0.804	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	-114.8	173.3	0	0	0	0	0	113.1	G433	G433-G435 PolarHBondContact O-N 3.36Å
436	N	96.2	Very high	95.3	Very high	82 Å²	82	26.2 Å²	26.2	44%	0.439	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	21	-175.3	-66	-52.1	0	0	0	113.2	S381 T382 G384 Q434	S381-N436 CarbonylContact C-O 3.54Å; S381-N436 VanDerWaalsContact CA-O 3.24Å; S381-N436 WeakPolarHBondContact CA-O 3.48Å; S381-N436 PolarHBondContact OG-O 3.07Å; S381-N436 VanDerWaalsContact OG-O 3.13Å; T382-N436 PolarHBondContact N-O 2.93Å; G384-N436 VanDerWaalsContact N-CG 3.29Å; G384-N436 PolarHBondContact N-ND2 3.38Å; Q434-N436 PolarHBondContact O-N 3.29Å; Q434-N436 VanDerWaalsContact O-N 3.13Å
437	T	97.1	Very high	96.3	Very high	36 Å²	36	29.6 Å²	29.6	22%	0.221	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	144.8	179.2	44.3	0	0	0	0	112.4	G433 Q434	G433-T437 WeakPolarHBondContact CA-OG1 3.09Å; Q434-T437 PolarHBondContact N-OG1 3.2Å; Q434-T437 WeakPolarHBondContact O-CB 3.46Å; Q434-T437 WeakPolarHBondContact O-CG2 3.09Å; Q434-T437 PolarHBondContact O-N 2.94Å; Q434-T437 VanDerWaalsContact O-N 3.17Å; Q434-T437 PolarHBondContact O-OG1 3.4Å
438	V	97.4	Very high	97.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143	176.8	176.2	0	0	0	0	109.6	G380 T382 T388 C391 C392 I395 M431 I448	G380-V438 PolarHBondContact O-N 3.5Å; T382-V438 HydrophobicContact CG2-CG2 3.67Å; T388-V438 HydrophobicContact CG2-CG1 4.26Å; T388-V438 HydrophobicContact CG2-CG2 4.32Å; C391-V438 HydrophobicContact CB-CG2 4.08Å; C392-V438 VanDerWaalsContact SG-CG1 3.55Å; I395-V438 HydrophobicContact CD1-CB 4.3Å; I395-V438 HydrophobicContact CD1-CG1 4.06Å; M431-V438 VanDerWaalsContact CG-O 3.23Å; M431-V438 WeakPolarHBondContact CG-O 3.36Å; V438-I448 HydrophobicContact CG1-CD1 4.27Å
439	G	97.4	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.			trans	98.8	18.7	-175.5	0	0	0	0	0	112.9	N430 M431 T441 E444	N430-G439 CarbonylContact C-O 3.54Å; N430-G439 WeakPolarHBondContact CA-O 3.38Å; M431-G439 PolarHBondContact N-O 2.87Å; G439-T441 VanDerWaalsContact C-N 3.29Å; G439-E444 PolarHBondContact N-OE2 3.27Å
440	R	97.1	Very high	97.2	Very high	97 Å²	97	33.3 Å²	33.3	37%	0.366	19%	0.187	S	C	.	.	S	Bend	trans	-67.1	-32.7	174.9	174.1	-169.6	55.1	-179.5	-10	111.8	M431 E444 S470	M431-R440 WeakPolarHBondContact O-CA 3.5Å; R440-E444 IonicContact CZ-OE1 2.68Å; R440-E444 PolarHBondContact N-OE2 2.9Å; R440-E444 IonicContact NE-OE1 3.35Å; R440-E444 PolarHBondContact NE-OE1 3.06Å; R440-E444 IonicContact NH2-OE1 3.17Å; R440-E444 PolarHBondContact NH2-OE1 3.5Å; R440-S470 WeakPolarHBondContact O-CB 3.49Å
441	T	97.9	Very high	97.2	Very high	32 Å²	32	36.8 Å²	36.8	20%	0.196	21%	0.205	C	C	.	.	S	Bend	trans	-116.5	157.2	177.6	70.5	0	0	0	0	110.8	G439 E443 E444 L445 Y472	G439-T441 VanDerWaalsContact C-N 3.29Å; T441-E443 WeakPolarHBondContact CB-OE2 3.38Å; T441-E443 PolarHBondContact O-N 3.19Å; T441-E444 PolarHBondContact O-N 2.83Å; T441-E444 VanDerWaalsContact OG1-CG 3.29Å; T441-E444 WeakPolarHBondContact OG1-CG 3.33Å; T441-E444 PolarHBondContact OG1-N 3.07Å; T441-E444 VanDerWaalsContact OG1-N 3.1Å; T441-L445 PolarHBondContact O-N 3.37Å; T441-Y472 WeakPolarHBondContact CA-OH 3.44Å; T441-Y472 WeakPolarHBondContact CB-OH 3.41Å
442	F	98.3	Very high	97.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-31.3	173.3	-55.1	-32.2	0	0	0	111.4	L445 K446 L462 Y472 V483 K486 F487 I490 I491	F442-L445 PolarHBondContact O-N 2.89Å; F442-K446 WeakPolarHBondContact O-CB 3.33Å; F442-K446 PolarHBondContact O-N 3.01Å; F442-L462 HydrophobicContact CE1-CD2 4.03Å; F442-Y472 HydrophobicContact CD2-CE1 4.27Å; F442-Y472 HydrophobicContact CE2-CD1 4.42Å; F442-Y472 HydrophobicContact CE2-CE1 4.06Å; F442-Y472 HydrophobicContact CZ-CE2 4.44Å; F442-Y472 PolarHBondContact N-OH 3.43Å; F442-V483 HydrophobicContact CE2-CG1 4.12Å; F442-V483 HydrophobicContact CZ-CG1 4.07Å; F442-K486 HydrophobicContact CD2-CG 4.23Å; F442-F487 AromaticContact CD1-CD2 3.92Å; F442-F487 HydrophobicContact CD1-CD2 3.92Å; F442-F487 HydrophobicContact CD2-CB 4.06Å; F442-F487 HydrophobicContact CD2-CD2 4.34Å; F442-F487 AromaticContact CE1-CD2 3.87Å; F442-F487 HydrophobicContact CE1-CD2 3.87Å; F442-F487 HydrophobicContact CE2-CB 3.74Å; F442-F487 HydrophobicContact CE2-CD2 4.3Å; F442-F487 HydrophobicContact CG-CD2 4.17Å; F442-F487 HydrophobicContact CZ-CB 4.12Å; F442-F487 HydrophobicContact CZ-CD2 4.07Å; F442-I490 HydrophobicContact CB-CB 4.3Å; F442-I490 HydrophobicContact CB-CD1 4.3Å; F442-I490 HydrophobicContact CB-CG2 3.99Å; F442-I491 HydrophobicContact CB-CG1 4.11Å; F442-I491 WeakPolarHBondContact O-CD1 3.49Å
443	E	98.4	Very high	97	Very high	78 Å²	78	42 Å²	42	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-60.8	-43.5	172.8	-64.1	88.3	153.1	0	0	112.2	T441 K446 L447 Y472 K486 I490	T441-E443 WeakPolarHBondContact CB-OE2 3.38Å; T441-E443 PolarHBondContact O-N 3.19Å; E443-K446 PolarHBondContact O-N 2.86Å; E443-L447 WeakPolarHBondContact O-CG 3.35Å; E443-L447 PolarHBondContact O-N 2.79Å; E443-Y472 PolarHBondContact OE2-OH 3.18Å; E443-K486 WeakPolarHBondContact OE1-CE 3.4Å; E443-K486 IonicContact OE1-NZ 2.88Å; E443-K486 PolarHBondContact OE1-NZ 3.34Å; E443-K486 IonicContact OE2-NZ 2.66Å; E443-I490 HydrophobicContact CG-CD1 3.99Å
444	E	98.2	Very high	96.9	Very high	16 Å²	16	44.4 Å²	44.4	8%	0.075	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-40	176.4	-70.8	169.7	-158.2	0	0	112.1	T388 C392 G439 R440 T441	T388-E444 HydrophobicContact CG2-CG 3.88Å; C392-E444 PolarHBondContact SG-O 2.69Å; G439-E444 PolarHBondContact N-OE2 3.27Å; R440-E444 IonicContact CZ-OE1 2.68Å; R440-E444 PolarHBondContact N-OE2 2.9Å; R440-E444 IonicContact NE-OE1 3.35Å; R440-E444 PolarHBondContact NE-OE1 3.06Å; R440-E444 IonicContact NH2-OE1 3.17Å; R440-E444 PolarHBondContact NH2-OE1 3.5Å; T441-E444 PolarHBondContact O-N 2.83Å; T441-E444 VanDerWaalsContact OG1-CG 3.29Å; T441-E444 WeakPolarHBondContact OG1-CG 3.33Å; T441-E444 PolarHBondContact OG1-N 3.07Å; T441-E444 VanDerWaalsContact OG1-N 3.1Å
445	L	98.1	Very high	96.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-39.2	173.8	-66	178.5	0	0	0	111.9	P379 L428 N430 T441 F442 L447 I448 I449 V460 I491	P379-L445 HydrophobicContact CG-CD2 3.73Å; L428-L445 HydrophobicContact CB-CD2 4.08Å; N430-L445 HydrophobicContact CB-CD1 3.93Å; T441-L445 PolarHBondContact O-N 3.37Å; F442-L445 PolarHBondContact O-N 2.89Å; L445-L447 PolarHBondContact O-N 2.83Å; L445-I448 WeakPolarHBondContact O-CB 2.73Å; L445-I448 PolarHBondContact O-N 3.17Å; L445-I448 VanDerWaalsContact O-N 3.17Å; L445-I449 WeakPolarHBondContact O-CG1 3.12Å; L445-I449 PolarHBondContact O-N 2.99Å; L445-I449 VanDerWaalsContact O-N 3.07Å; L445-V460 HydrophobicContact CD1-CG1 4.03Å; L445-I491 HydrophobicContact CB-CD1 3.89Å
446	K	98.2	Very high	96.7	Very high	63 Å²	63	45.9 Å²	45.9	27%	0.274	23%	0.231	S	C	.	.	H	α-helix	trans	-63.8	-39.5	178.8	-176.7	55.6	158.4	69.5	0	112.1	F442 E443 I448 I449 D450 I490 I491	F442-K446 WeakPolarHBondContact O-CB 3.33Å; F442-K446 PolarHBondContact O-N 3.01Å; E443-K446 PolarHBondContact O-N 2.86Å; K446-I448 PolarHBondContact O-N 3.23Å; K446-I449 PolarHBondContact O-N 2.84Å; K446-D450 IonicContact NZ-OD1 3.72Å; K446-D450 PolarHBondContact NZ-OD1 3.35Å; K446-D450 IonicContact NZ-OD2 3.75Å; K446-D450 PolarHBondContact NZ-OD2 2.85Å; K446-D450 WeakPolarHBondContact O-CB 3.13Å; K446-D450 PolarHBondContact O-N 3.09Å; K446-I490 HydrophobicContact CB-CG2 3.78Å; K446-I490 WeakPolarHBondContact CD-O 3.45Å; K446-I490 WeakPolarHBondContact CE-O 3.47Å; K446-I490 HydrophobicContact CG-CG2 4.1Å; K446-I491 HydrophobicContact CB-CD1 3.92Å
447	L	98.1	Very high	96.4	Very high	71 Å²	71	42.3 Å²	42.3	37%	0.372	21%	0.212	S	C	.	.	H	α-helix	trans	-55.9	-37.5	173	-71.8	173.6	0	0	0	112.4	E389 C392 E443 L445	E389-L447 HydrophobicContact CG-CD1 4.27Å; C392-L447 HydrophobicContact CB-CB 3.93Å; E443-L447 WeakPolarHBondContact O-CG 3.35Å; E443-L447 PolarHBondContact O-N 2.79Å; L445-L447 PolarHBondContact O-N 2.83Å
448	I	98.1	Very high	96.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-71.1	-49.3	175.9	-58.1	166.9	0	0	0	110.1	P379 C392 I395 A396 L399 L428 V438 L445 K446 D450 D451 I452	P379-I448 HydrophobicContact CB-CD1 3.77Å; C392-I448 HydrophobicContact CB-CG1 3.7Å; I395-I448 HydrophobicContact CB-CD1 4.44Å; I395-I448 HydrophobicContact CB-CG1 4.49Å; I395-I448 HydrophobicContact CB-CG2 4.49Å; I395-I448 HydrophobicContact CD1-CD1 4.02Å; I395-I448 HydrophobicContact CG2-CD1 4.02Å; I395-I448 HydrophobicContact CG2-CG1 4.35Å; I395-I448 HydrophobicContact CG2-CG2 3.85Å; A396-I448 HydrophobicContact CB-CG2 4.37Å; L399-I448 HydrophobicContact CD1-CG2 3.94Å; L428-I448 HydrophobicContact CD1-CB 4.06Å; L428-I448 HydrophobicContact CD1-CD1 4.41Å; L428-I448 HydrophobicContact CD1-CG2 3.8Å; L428-I448 HydrophobicContact CD2-CD1 4.49Å; L428-I448 HydrophobicContact CD2-CG2 4.41Å; V438-I448 HydrophobicContact CG1-CD1 4.27Å; L445-I448 WeakPolarHBondContact O-CB 2.73Å; L445-I448 PolarHBondContact O-N 3.17Å; L445-I448 VanDerWaalsContact O-N 3.17Å; K446-I448 PolarHBondContact O-N 3.23Å; I448-D450 VanDerWaalsContact C-N 3.31Å; I448-D450 PolarHBondContact O-N 3.1Å; I448-D451 PolarHBondContact O-N 3.12Å; I448-I452 WeakPolarHBondContact O-CG1 3.27Å; I448-I452 PolarHBondContact O-N 3.03Å
449	I	97.2	Very high	96.2	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-36.7	-176.1	-68.5	167.8	0	0	0	112.1	L428 L445 K446 D451 I452 K455 I458 V460 I491 F495	L428-I449 HydrophobicContact CD1-CD1 4.5Å; L428-I449 HydrophobicContact CD1-CG1 3.98Å; L445-I449 WeakPolarHBondContact O-CG1 3.12Å; L445-I449 PolarHBondContact O-N 2.99Å; L445-I449 VanDerWaalsContact O-N 3.07Å; K446-I449 PolarHBondContact O-N 2.84Å; I449-D451 VanDerWaalsContact C-N 3.33Å; I449-D451 PolarHBondContact O-N 3.42Å; I449-I452 PolarHBondContact O-N 3.05Å; I449-K455 WeakPolarHBondContact O-CE 3.38Å; I449-K455 PolarHBondContact O-NZ 3.12Å; I449-I458 HydrophobicContact CG1-CG1 4.23Å; I449-I458 HydrophobicContact CG1-CG2 4.41Å; I449-I458 HydrophobicContact CG2-CG2 4.24Å; I449-V460 HydrophobicContact CD1-CG2 3.86Å; I449-I491 HydrophobicContact CD1-CD1 3.79Å; I449-I491 HydrophobicContact CD1-CG2 4.31Å; I449-F495 HydrophobicContact CG2-CD1 4.35Å; I449-F495 HydrophobicContact CG2-CE1 3.83Å; I449-F495 HydrophobicContact CG2-CZ 3.91Å
450	D	97.8	Very high	96.2	Very high	76 Å²	76	40.7 Å²	40.7	41%	0.406	20%	0.202	S	C	.	.	H	α-helix	trans	-63.2	-38.6	179.1	-79.3	-27.1	0	0	0	112.5	K446 I448 I452 K455	K446-D450 IonicContact NZ-OD1 3.72Å; K446-D450 PolarHBondContact NZ-OD1 3.35Å; K446-D450 IonicContact NZ-OD2 3.75Å; K446-D450 PolarHBondContact NZ-OD2 2.85Å; K446-D450 WeakPolarHBondContact O-CB 3.13Å; K446-D450 PolarHBondContact O-N 3.09Å; I448-D450 VanDerWaalsContact C-N 3.31Å; I448-D450 PolarHBondContact O-N 3.1Å; D450-I452 VanDerWaalsContact C-N 3.32Å; D450-I452 PolarHBondContact O-N 3.19Å; D450-K455 PolarHBondContact O-NZ 2.88Å
451	D	97.7	Very high	96.2	Very high	74 Å²	74	36.1 Å²	36.1	40%	0.396	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2.4	177.2	-75.8	-12.2	0	0	0	113.7	K393 A396 N400 I448 I449	K393-D451 VanDerWaalsContact CG-OD2 3.28Å; K393-D451 WeakPolarHBondContact CG-OD2 3.41Å; A396-D451 HydrophobicContact CB-CB 3.51Å; N400-D451 PolarHBondContact ND2-O 3.29Å; I448-D451 PolarHBondContact O-N 3.12Å; I449-D451 VanDerWaalsContact C-N 3.33Å; I449-D451 PolarHBondContact O-N 3.42Å
452	I	96.5	Very high	96.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.176	C	C	.	.			trans	-75.2	127.8	170.8	-58.8	-53.5	0	0	0	110.9	A396 L399 N400 I403 I448 I449 D450 K455 I458	A396-I452 HydrophobicContact CB-CD1 4.05Å; L399-I452 HydrophobicContact CB-CD1 3.59Å; L399-I452 HydrophobicContact CD1-CD1 4Å; L399-I452 HydrophobicContact CG-CD1 4.46Å; N400-I452 WeakPolarHBondContact OD1-CA 3.46Å; I403-I452 HydrophobicContact CD1-CG2 4.06Å; I448-I452 WeakPolarHBondContact O-CG1 3.27Å; I448-I452 PolarHBondContact O-N 3.03Å; I449-I452 PolarHBondContact O-N 3.05Å; D450-I452 VanDerWaalsContact C-N 3.32Å; D450-I452 PolarHBondContact O-N 3.19Å; I452-K455 PolarHBondContact O-NZ 3.03Å; I452-I458 HydrophobicContact CB-CG2 4.47Å; I452-I458 HydrophobicContact CD1-CD1 4.42Å; I452-I458 HydrophobicContact CG1-CB 4.32Å; I452-I458 HydrophobicContact CG1-CD1 4.18Å; I452-I458 HydrophobicContact CG1-CG1 4.1Å; I452-I458 HydrophobicContact CG1-CG2 4.44Å; I452-I458 HydrophobicContact CG2-CB 4.27Å; I452-I458 HydrophobicContact CG2-CG2 4.3Å
453	E	95.5	Very high	96.3	Very high	121 Å²	121	34.6 Å²	34.6	57%	0.565	18%	0.175	S	C	*	.	S	Bend	trans	-70.9	-54.4	179.5	-67.7	172.7	-131	0	0	112.1	N400 K404 K455	N400-E453 PolarHBondContact OD1-N 3.29Å; K404-E453 WeakPolarHBondContact CE-OE1 3.32Å; K404-E453 WeakPolarHBondContact CE-OE2 3.46Å; K404-E453 IonicContact NZ-OE1 2.69Å; K404-E453 PolarHBondContact NZ-OE1 3.14Å; K404-E453 IonicContact NZ-OE2 3.43Å; K404-E453 PolarHBondContact NZ-OE2 2.8Å; E453-K455 PolarHBondContact O-N 2.93Å
454	D	93.4	Very high	96.3	Very high	60 Å²	60	31 Å²	31	32%	0.321	16%	0.159	S	C	.	.			trans	-97.1	87	176	-174.3	-7.5	0	0	0	110.8	I403 S456 R457	I403-D454 HydrophobicContact CG2-CB 4.16Å; D454-S456 PolarHBondContact O-N 3Å; D454-S456 VanDerWaalsContact O-N 3.1Å; D454-S456 VanDerWaalsContact OD1-CB 3.27Å; D454-S456 WeakPolarHBondContact OD1-CB 3.44Å; D454-S456 PolarHBondContact OD1-N 3.14Å; D454-S456 PolarHBondContact OD1-OG 3.08Å; D454-R457 HydrophobicContact CB-CB 4.48Å; D454-R457 HydrophobicContact CB-CG 4.07Å; D454-R457 VanDerWaalsContact CG-CG 3.41Å; D454-R457 WeakPolarHBondContact O-CB 3.5Å; D454-R457 PolarHBondContact O-N 2.99Å; D454-R457 WeakPolarHBondContact OD2-CG 3.48Å
455	K	91.6	Very high	96.3	Very high	83 Å²	83	30.2 Å²	30.2	36%	0.361	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-65	-8.3	178.7	-70.3	175.4	168.6	60	0	114	I449 D450 I452 E453 R457 F495	I449-K455 WeakPolarHBondContact O-CE 3.38Å; I449-K455 PolarHBondContact O-NZ 3.12Å; D450-K455 PolarHBondContact O-NZ 2.88Å; I452-K455 PolarHBondContact O-NZ 3.03Å; E453-K455 PolarHBondContact O-N 2.93Å; K455-R457 PolarHBondContact O-N 3.01Å; K455-F495 HydrophobicContact CB-CE1 4.23Å; K455-F495 HydrophobicContact CB-CZ 4.28Å
456	S	90	Very high	96.3	Very high	67 Å²	67	30.4 Å²	30.4	47%	0.469	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-76.3	-12.2	171.2	80.9	0	0	0	0	113.4	D454	D454-S456 PolarHBondContact O-N 3Å; D454-S456 VanDerWaalsContact O-N 3.1Å; D454-S456 VanDerWaalsContact OD1-CB 3.27Å; D454-S456 WeakPolarHBondContact OD1-CB 3.44Å; D454-S456 PolarHBondContact OD1-N 3.14Å; D454-S456 PolarHBondContact OD1-OG 3.08Å
457	R	91.6	Very high	96.3	Very high	8 Å²	8	27.5 Å²	27.5	3%	0.03	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-109.1	7.9	-174.5	-60.5	-86.4	-51.3	-103.1	-5.9	113.3	I403 T406 K424 I425 S426 D454 K455	I403-R457 HydrophobicContact CD1-CB 3.99Å; I403-R457 HydrophobicContact CG1-CB 4.14Å; I403-R457 HydrophobicContact CG2-CB 4.13Å; I403-R457 HydrophobicContact CG2-CG 4.07Å; I403-R457 PolarHBondContact O-NH1 2.72Å; I403-R457 PolarHBondContact O-NH2 3.08Å; T406-R457 PolarHBondContact O-NH1 3.06Å; T406-R457 PolarHBondContact OG1-NH2 3.05Å; K424-R457 WeakPolarHBondContact O-CD 3.42Å; K424-R457 PolarHBondContact O-NE 3.19Å; I425-R457 WeakPolarHBondContact CA-O 3.37Å; S426-R457 PolarHBondContact N-O 3.27Å; D454-R457 HydrophobicContact CB-CB 4.48Å; D454-R457 HydrophobicContact CB-CG 4.07Å; D454-R457 VanDerWaalsContact CG-CG 3.41Å; D454-R457 WeakPolarHBondContact O-CB 3.5Å; D454-R457 PolarHBondContact O-N 2.99Å; D454-R457 WeakPolarHBondContact OD2-CG 3.48Å; K455-R457 PolarHBondContact O-N 3.01Å
458	I	93.7	Very high	96.3	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.6	176.1	-160	76.4	0	0	0	110.2	L399 I425 S426 L428 I449 I452 F495	L399-I458 HydrophobicContact CD1-CD1 4.02Å; I425-I458 WeakPolarHBondContact CG2-O 3.43Å; S426-I458 CarbonylContact O-C 3.56Å; S426-I458 WeakPolarHBondContact O-CA 3.44Å; S426-I458 WeakPolarHBondContact O-CD1 3.18Å; L428-I458 HydrophobicContact CD1-CD1 4.13Å; L428-I458 HydrophobicContact CD1-CG1 4.13Å; L428-I458 HydrophobicContact CG-CD1 4.08Å; L428-I458 HydrophobicContact CG-CG1 4.43Å; I449-I458 HydrophobicContact CG1-CG1 4.23Å; I449-I458 HydrophobicContact CG1-CG2 4.41Å; I449-I458 HydrophobicContact CG2-CG2 4.24Å; I452-I458 HydrophobicContact CB-CG2 4.47Å; I452-I458 HydrophobicContact CD1-CD1 4.42Å; I452-I458 HydrophobicContact CG1-CB 4.32Å; I452-I458 HydrophobicContact CG1-CD1 4.18Å; I452-I458 HydrophobicContact CG1-CG1 4.1Å; I452-I458 HydrophobicContact CG1-CG2 4.44Å; I452-I458 HydrophobicContact CG2-CB 4.27Å; I452-I458 HydrophobicContact CG2-CG2 4.3Å; I458-F495 HydrophobicContact CG2-CD1 3.92Å; I458-F495 HydrophobicContact CG2-CE1 3.64Å
459	G	95.3	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	-178.4	176.3	0	0	0	0	0	111.5	S426 V427 L428 F495	S426-G459 PolarHBondContact O-N 3.39Å; V427-G459 WeakPolarHBondContact CA-O 3.45Å; L428-G459 PolarHBondContact N-O 2.63Å; G459-F495 CarbonylContact C-O 3.5Å; G459-F495 WeakPolarHBondContact CA-O 3.49Å
460	V	97.3	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.2	179.7	178.2	0	0	0	0	111.1	L428 L445 I449 L462 F487 I491 F495 K497	L428-V460 CarbonylContact O-C 3.57Å; L428-V460 VanDerWaalsContact O-CA 3.22Å; L428-V460 WeakPolarHBondContact O-CA 3.34Å; L428-V460 WeakPolarHBondContact O-CG1 3.47Å; L445-V460 HydrophobicContact CD1-CG1 4.03Å; I449-V460 HydrophobicContact CD1-CG2 3.86Å; V460-L462 HydrophobicContact CG1-CD2 4.11Å; V460-F487 HydrophobicContact CB-CE2 4.42Å; V460-F487 HydrophobicContact CB-CZ 4.32Å; V460-F487 HydrophobicContact CG1-CE2 3.97Å; V460-F487 HydrophobicContact CG1-CZ 4.29Å; V460-I491 HydrophobicContact CG2-CG2 3.95Å; V460-F495 PolarHBondContact N-O 3.31Å; V460-K497 PolarHBondContact O-N 2.83Å
461	C	98	Very high	96.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.6	164.6	-173.1	0	0	0	0	108	V376 V427 L428 E429 N430 A498 H500	V376-C461 HydrophobicContact CG2-CB 3.59Å; V427-C461 HydrophobicContact CG1-CB 3.62Å; L428-C461 PolarHBondContact O-N 3.31Å; E429-C461 HydrophobicContact CB-CB 4.41Å; E429-C461 HydrophobicContact CG-CB 4.12Å; N430-C461 PolarHBondContact N-O 3.4Å; N430-C461 PolarHBondContact OD1-O 2.81Å; C461-A498 WeakPolarHBondContact CA-O 3.45Å; C461-A498 HydrophobicContact CB-CB 4.17Å; C461-H500 PolarHBondContact SG-CD2 2.92Å
462	L	98.4	Very high	96.3	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	105.8	176.1	-75.7	-174.1	0	0	0	110.1	N430 F442 V460 I467 M484 F487 L496 A498 V499 H500	N430-L462 VanDerWaalsContact OD1-CA 3.3Å; N430-L462 WeakPolarHBondContact OD1-CA 3.5Å; F442-L462 HydrophobicContact CE1-CD2 4.03Å; V460-L462 HydrophobicContact CG1-CD2 4.11Å; L462-I467 HydrophobicContact CB-CD1 3.9Å; L462-I467 HydrophobicContact CD1-CD1 4.45Å; L462-I467 HydrophobicContact CD2-CD1 3.99Å; L462-I467 HydrophobicContact CD2-CG1 4.5Å; L462-I467 HydrophobicContact CG-CD1 4.31Å; L462-M484 HydrophobicContact CD1-SD 4.49Å; L462-F487 HydrophobicContact CD1-CD2 4.19Å; L462-F487 HydrophobicContact CD1-CE1 4.49Å; L462-F487 HydrophobicContact CD1-CE2 4.12Å; L462-F487 HydrophobicContact CD1-CG 4.4Å; L462-F487 HydrophobicContact CD1-CZ 4.27Å; L462-F487 HydrophobicContact CD2-CD2 3.95Å; L462-F487 HydrophobicContact CD2-CE2 3.72Å; L462-F487 HydrophobicContact CD2-CZ 4.48Å; L462-F487 HydrophobicContact CG-CE2 4.16Å; L462-F487 HydrophobicContact CG-CZ 4.47Å; L462-L496 HydrophobicContact CB-CD1 4.23Å; L462-L496 HydrophobicContact CD1-CD1 3.81Å; L462-L496 HydrophobicContact CG-CD1 3.71Å; L462-A498 PolarHBondContact N-O 3.29Å; L462-A498 VanDerWaalsContact N-O 3.1Å; L462-V499 CarbonylContact O-C 3.18Å; L462-V499 WeakPolarHBondContact O-CA 3.17Å; L462-V499 VanDerWaalsContact O-CG1 3.25Å; L462-V499 WeakPolarHBondContact O-CG1 3.18Å; L462-H500 PolarHBondContact O-N 3.32Å
463	D	98.7	Very high	96.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.1	171	179.3	-69	0	0	0	110.5	E429 N430 C465 H466 I467 H500 N502 H515	E429-D463 HydrophobicContact CG-CB 4.32Å; N430-D463 PolarHBondContact OD1-N 3.3Å; D463-C465 PolarHBondContact O-N 3.46Å; D463-C465 VanDerWaalsContact OD1-CA 3.3Å; D463-C465 WeakPolarHBondContact OD1-CA 3.34Å; D463-C465 VanDerWaalsContact OD1-CB 3.25Å; D463-C465 WeakPolarHBondContact OD1-CB 3.4Å; D463-C465 PolarHBondContact OD1-N 3.26Å; D463-H466 HydrophobicContact CB-CB 3.84Å; D463-H466 WeakPolarHBondContact CB-ND1 3.45Å; D463-H466 PolarHBondContact O-N 2.86Å; D463-H466 IonicContact OD1-CD2 3.81Å; D463-H466 IonicContact OD1-CG 3.96Å; D463-H466 PolarHBondContact OD1-N 2.69Å; D463-H466 IonicContact OD1-ND1 3Å; D463-I467 WeakPolarHBondContact O-CB 3.41Å; D463-I467 WeakPolarHBondContact O-CD1 3.08Å; D463-I467 WeakPolarHBondContact O-CG1 3.34Å; D463-I467 PolarHBondContact O-N 3.48Å; D463-H500 HydrophobicContact CB-CB 3.84Å; D463-H500 WeakPolarHBondContact OD2-CB 3.38Å; D463-H500 IonicContact OD2-CG 3.17Å; D463-H500 IonicContact OD2-ND1 3.47Å; D463-N502 PolarHBondContact OD2-ND2 3.01Å; D463-H515 IonicContact OD2-CE1 3.03Å; D463-H515 IonicContact OD2-NE2 3.66Å
464	T	98.5	Very high	96.4	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-68.5	-33.7	-174.5	54.9	0	0	0	0	113.6	F468 I474 V499 H500 L501 N502 L531	T464-F468 WeakPolarHBondContact O-CB 3.21Å; T464-F468 PolarHBondContact O-N 2.78Å; T464-I474 HydrophobicContact CG2-CD1 4.23Å; T464-I474 WeakPolarHBondContact O-CD1 3.46Å; T464-V499 HydrophobicContact CG2-CG1 4.24Å; T464-H500 PolarHBondContact N-O 3.48Å; T464-H500 PolarHBondContact OG1-O 3.38Å; T464-L501 HydrophobicContact CG2-CD2 4.38Å; T464-N502 PolarHBondContact OG1-N 2.75Å; T464-N502 PolarHBondContact OG1-O 2.84Å; T464-L531 HydrophobicContact CG2-CD1 3.53Å
465	C	98.5	Very high	96.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-68.7	-45.3	175.5	-170	0	0	0	0	109.9	D463 F468 D469 N502 D503 S504	D463-C465 PolarHBondContact O-N 3.46Å; D463-C465 VanDerWaalsContact OD1-CA 3.3Å; D463-C465 WeakPolarHBondContact OD1-CA 3.34Å; D463-C465 VanDerWaalsContact OD1-CB 3.25Å; D463-C465 WeakPolarHBondContact OD1-CB 3.4Å; D463-C465 PolarHBondContact OD1-N 3.26Å; C465-F468 PolarHBondContact O-N 2.79Å; C465-D469 VanDerWaalsContact O-CB 3.28Å; C465-D469 WeakPolarHBondContact O-CB 3.38Å; C465-D469 VanDerWaalsContact O-CG 3.23Å; C465-D469 PolarHBondContact O-N 3.48Å; C465-D469 PolarHBondContact SG-OD2 3.37Å; C465-D469 VanDerWaalsContact SG-OD2 3.41Å; C465-N502 HydrophobicContact CB-CB 3.65Å; C465-N502 PolarHBondContact N-O 3.24Å; C465-D503 PolarHBondContact SG-O 3.47Å; C465-S504 VanDerWaalsContact SG-CB 3.54Å
466	H	98.5	Very high	96.6	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-41.3	177.4	-64.7	172.7	0	0	0	112.8	E429 N430 A432 D463 F468 S470 D513 H515	E429-H466 IonicContact OE1-CE1 3.88Å; E429-H466 PolarHBondContact OE1-CE1 3.27Å; E429-H466 IonicContact OE1-ND1 4Å; E429-H466 PolarHBondContact OE1-ND1 3.36Å; N430-H466 WeakPolarHBondContact ND2-CB 3.27Å; N430-H466 WeakPolarHBondContact O-CB 3.27Å; N430-H466 PolarHBondContact O-ND1 2.83Å; A432-H466 HydrophobicContact CB-CB 4.48Å; D463-H466 HydrophobicContact CB-CB 3.84Å; D463-H466 WeakPolarHBondContact CB-ND1 3.45Å; D463-H466 PolarHBondContact O-N 2.86Å; D463-H466 IonicContact OD1-CD2 3.81Å; D463-H466 IonicContact OD1-CG 3.96Å; D463-H466 PolarHBondContact OD1-N 2.69Å; D463-H466 IonicContact OD1-ND1 3Å; H466-F468 VanDerWaalsContact C-N 3.34Å; H466-S470 WeakPolarHBondContact O-CB 3.44Å; H466-S470 PolarHBondContact O-N 2.86Å; H466-S470 PolarHBondContact O-OG 3.21Å; H466-D513 WeakPolarHBondContact NE2-CB 3.25Å; H466-H515 AromaticContact NE2-NE2 3.56Å
467	I	97.8	Very high	96.7	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-47.5	174.6	-70.3	164.9	0	0	0	109.8	N430 L462 D463 S470 G471 Y472 I474 V483	N430-I467 WeakPolarHBondContact ND2-CG1 3.29Å; N430-I467 PolarHBondContact ND2-N 2.75Å; L462-I467 HydrophobicContact CB-CD1 3.9Å; L462-I467 HydrophobicContact CD1-CD1 4.45Å; L462-I467 HydrophobicContact CD2-CD1 3.99Å; L462-I467 HydrophobicContact CD2-CG1 4.5Å; L462-I467 HydrophobicContact CG-CD1 4.31Å; D463-I467 WeakPolarHBondContact O-CB 3.41Å; D463-I467 WeakPolarHBondContact O-CD1 3.08Å; D463-I467 WeakPolarHBondContact O-CG1 3.34Å; D463-I467 PolarHBondContact O-N 3.48Å; I467-S470 PolarHBondContact O-OG 3.28Å; I467-G471 PolarHBondContact O-N 3.49Å; I467-Y472 HydrophobicContact CG2-CD2 4.38Å; I467-Y472 HydrophobicContact CG2-CG 4.34Å; I467-Y472 WeakPolarHBondContact O-CB 3.46Å; I467-Y472 PolarHBondContact O-N 2.7Å; I467-I474 HydrophobicContact CB-CD1 4.32Å; I467-I474 HydrophobicContact CG2-CD1 4.14Å; I467-I474 HydrophobicContact CG2-CG1 4.26Å; I467-I474 HydrophobicContact CG2-CG2 3.53Å; I467-V483 HydrophobicContact CG2-CG1 4.18Å
468	F	98.4	Very high	96.7	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-68	-47.2	-179.1	-173.5	-105.7	0	0	0	112.5	T464 C465 H466 S470 G471 Y472 I474 K475 C508 G509 T522 M523	T464-F468 WeakPolarHBondContact O-CB 3.21Å; T464-F468 PolarHBondContact O-N 2.78Å; C465-F468 PolarHBondContact O-N 2.79Å; H466-F468 VanDerWaalsContact C-N 3.34Å; F468-S470 VanDerWaalsContact C-N 3.31Å; F468-S470 PolarHBondContact O-N 3.02Å; F468-G471 PolarHBondContact O-N 2.93Å; F468-G471 VanDerWaalsContact O-N 3.12Å; F468-Y472 WeakPolarHBondContact CA-O 3.42Å; F468-I474 HydrophobicContact CB-CG1 4.3Å; F468-I474 HydrophobicContact CD2-CG1 4.37Å; F468-K475 HydrophobicContact CE2-CB 3.85Å; F468-C508 HydrophobicContact CD1-CB 4.44Å; F468-C508 HydrophobicContact CD2-CB 4.01Å; F468-C508 HydrophobicContact CE1-CB 4.08Å; F468-C508 HydrophobicContact CE2-CB 3.61Å; F468-C508 HydrophobicContact CG-CB 4.42Å; F468-C508 HydrophobicContact CZ-CB 3.66Å; F468-C508 WeakPolarHBondContact O-CA 3.45Å; F468-C508 PolarHBondContact O-SG 3.45Å; F468-C508 VanDerWaalsContact O-SG 3.41Å; F468-G509 PolarHBondContact O-N 3.39Å; F468-T522 VanDerWaalsContact CE1-OG1 3.25Å; F468-T522 WeakPolarHBondContact CE1-OG1 3.33Å; F468-M523 HydrophobicContact CB-CE 4.46Å; F468-M523 HydrophobicContact CB-CG 4.39Å; F468-M523 HydrophobicContact CB-SD 3.51Å; F468-M523 VanDerWaalsContact CB-SD 3.51Å; F468-M523 HydrophobicContact CD1-CG 3.81Å; F468-M523 HydrophobicContact CD1-SD 4.06Å; F468-M523 HydrophobicContact CD2-CG 3.85Å; F468-M523 HydrophobicContact CD2-SD 3.71Å; F468-M523 HydrophobicContact CE1-CG 3.88Å; F468-M523 HydrophobicContact CE2-CG 3.94Å; F468-M523 HydrophobicContact CE2-SD 4.38Å; F468-M523 HydrophobicContact CG-CG 3.77Å; F468-M523 HydrophobicContact CG-SD 3.51Å; F468-M523 VanDerWaalsContact CG-SD 3.51Å; F468-M523 HydrophobicContact CZ-CG 3.94Å
469	D	98.1	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-70.2	-25.9	-177.7	-70.6	-17.2	0	0	0	113.2	A432 C465 G471 S504 G509 C510 H511 D513	A432-D469 HydrophobicContact CB-CB 3.81Å; C465-D469 VanDerWaalsContact O-CB 3.28Å; C465-D469 WeakPolarHBondContact O-CB 3.38Å; C465-D469 VanDerWaalsContact O-CG 3.23Å; C465-D469 PolarHBondContact O-N 3.48Å; C465-D469 PolarHBondContact SG-OD2 3.37Å; C465-D469 VanDerWaalsContact SG-OD2 3.41Å; D469-G471 VanDerWaalsContact C-N 3.31Å; D469-S504 PolarHBondContact OD1-OG 2.95Å; D469-S504 PolarHBondContact OD2-OG 3.49Å; D469-G509 CarbonylContact O-C 3.55Å; D469-G509 VanDerWaalsContact O-C 3.27Å; D469-G509 WeakPolarHBondContact O-CA 3.38Å; D469-C510 PolarHBondContact O-N 3.24Å; D469-C510 PolarHBondContact OD1-SG 2.84Å; D469-C510 VanDerWaalsContact OD1-SG 3.36Å; D469-H511 WeakPolarHBondContact O-CA 3.49Å; D469-H511 PolarHBondContact O-N 3.22Å; D469-H511 PolarHBondContact O-ND1 3.13Å; D469-D513 PolarHBondContact OD2-N 3.26Å
470	S	97.9	Very high	96.9	Very high	15 Å²	15	30.4 Å²	30.4	11%	0.105	16%	0.16	C	C	.	.	H	α-helix	trans	-75.2	-17.5	172.3	56	0	0	0	0	113.7	A432 R440 H466 I467 F468 Y472 H511	A432-S470 WeakPolarHBondContact O-CA 3.25Å; R440-S470 WeakPolarHBondContact O-CB 3.49Å; H466-S470 WeakPolarHBondContact O-CB 3.44Å; H466-S470 PolarHBondContact O-N 2.86Å; H466-S470 PolarHBondContact O-OG 3.21Å; I467-S470 PolarHBondContact O-OG 3.28Å; F468-S470 VanDerWaalsContact C-N 3.31Å; F468-S470 PolarHBondContact O-N 3.02Å; S470-Y472 WeakPolarHBondContact OG-CD2 3.43Å; S470-H511 PolarHBondContact O-CE1 3.44Å
471	G	97.6	Very high	96.8	Very high	40 Å²	40	33.4 Å²	33.4	41%	0.412	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	124.1	-2.7	172.5	0	0	0	0	0	115.7	I467 F468 D469 N473	I467-G471 PolarHBondContact O-N 3.49Å; F468-G471 PolarHBondContact O-N 2.93Å; F468-G471 VanDerWaalsContact O-N 3.12Å; D469-G471 VanDerWaalsContact C-N 3.31Å; G471-N473 PolarHBondContact O-N 3.19Å
472	Y	97.6	Very high	96.8	Very high	30 Å²	30	38.6 Å²	38.6	12%	0.118	20%	0.201	C	C	.	.			trans	-84.4	104.4	177	-59.7	-81.5	0	0	0	110	T441 F442 E443 I467 F468 S470 I474 V483 K486	T441-Y472 WeakPolarHBondContact CA-OH 3.44Å; T441-Y472 WeakPolarHBondContact CB-OH 3.41Å; F442-Y472 HydrophobicContact CD2-CE1 4.27Å; F442-Y472 HydrophobicContact CE2-CD1 4.42Å; F442-Y472 HydrophobicContact CE2-CE1 4.06Å; F442-Y472 HydrophobicContact CZ-CE2 4.44Å; F442-Y472 PolarHBondContact N-OH 3.43Å; E443-Y472 PolarHBondContact OE2-OH 3.18Å; I467-Y472 HydrophobicContact CG2-CD2 4.38Å; I467-Y472 HydrophobicContact CG2-CG 4.34Å; I467-Y472 WeakPolarHBondContact O-CB 3.46Å; I467-Y472 PolarHBondContact O-N 2.7Å; F468-Y472 WeakPolarHBondContact CA-O 3.42Å; S470-Y472 WeakPolarHBondContact OG-CD2 3.43Å; Y472-I474 VanDerWaalsContact C-N 3.29Å; Y472-I474 PolarHBondContact O-N 3.05Å; Y472-V483 HydrophobicContact CD1-CG1 4.3Å; Y472-V483 HydrophobicContact CD1-CG2 4.15Å; Y472-V483 HydrophobicContact CG-CG1 4.31Å; Y472-V483 HydrophobicContact CG-CG2 4.42Å; Y472-K486 HydrophobicContact CE1-CD 4.15Å
473	N	96.8	Very high	96.8	Very high	55 Å²	55	38.9 Å²	38.9	29%	0.294	20%	0.203	S	C	.	.			trans	-73.7	71.2	-173.2	-175.2	23.3	0	0	0	113.8	G471 K475 D476 E479	G471-N473 PolarHBondContact O-N 3.19Å; N473-K475 PolarHBondContact O-N 2.69Å; N473-K475 VanDerWaalsContact O-N 3.12Å; N473-D476 PolarHBondContact O-N 3.49Å; N473-E479 HydrophobicContact CB-CB 4.35Å; N473-E479 WeakPolarHBondContact O-CB 3.35Å
474	I	97.5	Very high	96.8	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-8.1	177.3	55.4	167.3	0	0	0	114.6	T464 I467 F468 Y472 Y480 V483 M523 V527	T464-I474 HydrophobicContact CG2-CD1 4.23Å; T464-I474 WeakPolarHBondContact O-CD1 3.46Å; I467-I474 HydrophobicContact CB-CD1 4.32Å; I467-I474 HydrophobicContact CG2-CD1 4.14Å; I467-I474 HydrophobicContact CG2-CG1 4.26Å; I467-I474 HydrophobicContact CG2-CG2 3.53Å; F468-I474 HydrophobicContact CB-CG1 4.3Å; F468-I474 HydrophobicContact CD2-CG1 4.37Å; Y472-I474 VanDerWaalsContact C-N 3.29Å; Y472-I474 PolarHBondContact O-N 3.05Å; I474-Y480 HydrophobicContact CB-CD2 4.05Å; I474-Y480 HydrophobicContact CG2-CD2 4.22Å; I474-V483 HydrophobicContact CG2-CB 4.2Å; I474-V483 HydrophobicContact CG2-CG1 3.86Å; I474-V483 HydrophobicContact CG2-CG2 4.35Å; I474-M523 HydrophobicContact CD1-SD 3.96Å; I474-M523 HydrophobicContact CG1-SD 3.95Å; I474-V527 HydrophobicContact CB-CG2 4.23Å; I474-V527 HydrophobicContact CD1-CG2 4.16Å; I474-V527 HydrophobicContact CG1-CG2 4.21Å; I474-V527 VanDerWaalsContact O-CG2 3.22Å; I474-V527 WeakPolarHBondContact O-CG2 3.42Å
475	K	96	Very high	96.7	Very high	104 Å²	104	44.3 Å²	44.3	45%	0.452	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-35.2	175.8	-176.6	-176.2	-176.1	167.4	0	112.8	F468 N473 P477 T522 M523	F468-K475 HydrophobicContact CE2-CB 3.85Å; N473-K475 PolarHBondContact O-N 2.69Å; N473-K475 VanDerWaalsContact O-N 3.12Å; K475-P477 WeakPolarHBondContact O-CD 3.26Å; K475-T522 WeakPolarHBondContact CD-O 3.18Å; K475-T522 WeakPolarHBondContact CE-O 3.39Å; K475-T522 PolarHBondContact NZ-O 3.3Å; K475-M523 WeakPolarHBondContact CE-O 3.28Å
476	D	93.6	Very high	96.7	Very high	62 Å²	62	47.8 Å²	47.8	33%	0.332	24%	0.243	S	C	.	.	S	Bend	trans	-82.9	120.8	175.6	-179.1	-21.4	0	0	0	109.2	N473 K478 E479 Y480	N473-D476 PolarHBondContact O-N 3.49Å; D476-K478 PolarHBondContact O-N 3.25Å; D476-K478 VanDerWaalsContact O-N 3.08Å; D476-K478 WeakPolarHBondContact OD1-CB 3.31Å; D476-K478 PolarHBondContact OD1-N 3.49Å; D476-E479 HydrophobicContact CB-CB 4.15Å; D476-E479 HydrophobicContact CB-CG 4.13Å; D476-E479 PolarHBondContact O-N 2.91Å; D476-Y480 WeakPolarHBondContact O-CB 3.43Å; D476-Y480 PolarHBondContact O-N 2.82Å
477	P	90.8	Very high	96.7	Very high	80 Å²	80	47.6 Å²	47.6	52%	0.519	24%	0.242	S	C	.	.	H	α-helix	trans	-55.3	-26.9	178.9	-27.1	35.9	0	0	0	115.1	K475 T481	K475-P477 WeakPolarHBondContact O-CD 3.26Å; P477-T481 PolarHBondContact O-N 2.86Å; P477-T481 PolarHBondContact O-OG1 2.92Å
478	K	91.2	Very high	96.8	Very high	161 Å²	161	51.4 Å²	51.4	70%	0.7	26%	0.263	S	S	*	.	H	α-helix	trans	-74.2	-43.9	175.9	-66.2	179.5	179.3	175.7	0	111.6	D476 K482	D476-K478 PolarHBondContact O-N 3.25Å; D476-K478 VanDerWaalsContact O-N 3.08Å; D476-K478 WeakPolarHBondContact OD1-CB 3.31Å; D476-K478 PolarHBondContact OD1-N 3.49Å; K478-K482 PolarHBondContact O-N 3.39Å
479	E	96.2	Very high	96.8	Very high	64 Å²	64	55.6 Å²	55.6	30%	0.299	29%	0.293	S	S	.	.	H	α-helix	trans	-73.8	-37.2	177.8	-61.9	-51.3	121	0	0	111.2	N473 D476 T481 K482 V483	N473-E479 HydrophobicContact CB-CB 4.35Å; N473-E479 WeakPolarHBondContact O-CB 3.35Å; D476-E479 HydrophobicContact CB-CB 4.15Å; D476-E479 HydrophobicContact CB-CG 4.13Å; D476-E479 PolarHBondContact O-N 2.91Å; E479-T481 VanDerWaalsContact C-N 3.26Å; E479-T481 PolarHBondContact O-N 2.99Å; E479-K482 CarbonylContact O-C 3.27Å; E479-K482 WeakPolarHBondContact O-CB 3.34Å; E479-K482 PolarHBondContact O-N 3.2Å; E479-K482 VanDerWaalsContact O-N 3.07Å; E479-K482 WeakPolarHBondContact OE1-CE 3.41Å; E479-K482 IonicContact OE1-NZ 3.75Å; E479-K482 PolarHBondContact OE1-NZ 3.34Å; E479-K482 WeakPolarHBondContact OE2-CD 3.39Å; E479-K482 IonicContact OE2-NZ 3.12Å; E479-K482 PolarHBondContact OE2-NZ 3.24Å; E479-V483 VanDerWaalsContact O-CG2 3.27Å; E479-V483 WeakPolarHBondContact O-CG2 3.4Å; E479-V483 PolarHBondContact O-N 3.29Å
480	Y	97.7	Very high	96.8	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.027	30%	0.301	C	S	.	.	H	α-helix	trans	-47.1	-49.5	170.1	176.1	-88.9	0	0	0	112.1	I474 D476 K482 V483 M484 T530 L531 D534 F537	I474-Y480 HydrophobicContact CB-CD2 4.05Å; I474-Y480 HydrophobicContact CG2-CD2 4.22Å; D476-Y480 WeakPolarHBondContact O-CB 3.43Å; D476-Y480 PolarHBondContact O-N 2.82Å; Y480-K482 PolarHBondContact O-N 2.77Å; Y480-V483 PolarHBondContact O-N 2.74Å; Y480-M484 HydrophobicContact CD1-CG 4.45Å; Y480-M484 HydrophobicContact CD2-CE 4.37Å; Y480-M484 HydrophobicContact CE1-CG 4.01Å; Y480-M484 HydrophobicContact CE2-CE 3.69Å; Y480-M484 HydrophobicContact CE2-CG 4.3Å; Y480-M484 VanDerWaalsContact O-CG 3.31Å; Y480-M484 WeakPolarHBondContact O-CG 3.32Å; Y480-M484 PolarHBondContact O-N 2.96Å; Y480-T530 HydrophobicContact CD1-CG2 3.88Å; Y480-T530 HydrophobicContact CD2-CG2 4.43Å; Y480-T530 HydrophobicContact CE1-CG2 3.72Å; Y480-T530 HydrophobicContact CE2-CG2 4.28Å; Y480-T530 HydrophobicContact CG-CG2 4.26Å; Y480-L531 HydrophobicContact CE2-CD2 3.83Å; Y480-L531 HydrophobicContact CE2-CG 4.37Å; Y480-D534 WeakPolarHBondContact CE1-OD2 3.37Å; Y480-D534 PolarHBondContact OH-OD2 3.15Å; Y480-F537 VanDerWaalsContact OH-CE2 3.28Å; Y480-F537 WeakPolarHBondContact OH-CE2 3.22Å
481	T	96.2	Very high	96.8	Very high	64 Å²	64	57 Å²	57	39%	0.393	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-48.9	179	-55.8	0	0	0	0	111	P477 E479 V483 M484 E485	P477-T481 PolarHBondContact O-N 2.86Å; P477-T481 PolarHBondContact O-OG1 2.92Å; E479-T481 VanDerWaalsContact C-N 3.26Å; E479-T481 PolarHBondContact O-N 2.99Å; T481-V483 PolarHBondContact O-N 3.19Å; T481-M484 PolarHBondContact O-N 2.88Å; T481-E485 WeakPolarHBondContact O-CG 3.33Å; T481-E485 PolarHBondContact O-N 2.95Å
482	K	97.6	Very high	96.7	Very high	109 Å²	109	55.6 Å²	55.6	47%	0.474	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-37.8	177.6	-62.6	172.7	-175.2	171	0	113.4	K478 E479 Y480 M484 E485 K486	K478-K482 PolarHBondContact O-N 3.39Å; E479-K482 CarbonylContact O-C 3.27Å; E479-K482 WeakPolarHBondContact O-CB 3.34Å; E479-K482 PolarHBondContact O-N 3.2Å; E479-K482 VanDerWaalsContact O-N 3.07Å; E479-K482 WeakPolarHBondContact OE1-CE 3.41Å; E479-K482 IonicContact OE1-NZ 3.75Å; E479-K482 PolarHBondContact OE1-NZ 3.34Å; E479-K482 WeakPolarHBondContact OE2-CD 3.39Å; E479-K482 IonicContact OE2-NZ 3.12Å; E479-K482 PolarHBondContact OE2-NZ 3.24Å; Y480-K482 PolarHBondContact O-N 2.77Å; K482-M484 VanDerWaalsContact C-N 3.31Å; K482-E485 PolarHBondContact O-N 3.34Å; K482-K486 VanDerWaalsContact O-CB 3.27Å; K482-K486 WeakPolarHBondContact O-CB 3.38Å; K482-K486 PolarHBondContact O-N 3.49Å
483	V	98.1	Very high	96.7	Very high	9 Å²	9	56.3 Å²	56.3	6%	0.055	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-42.7	177.1	170.8	0	0	0	0	109.8	F442 I467 Y472 I474 E479 Y480 T481 K486 F487	F442-V483 HydrophobicContact CE2-CG1 4.12Å; F442-V483 HydrophobicContact CZ-CG1 4.07Å; I467-V483 HydrophobicContact CG2-CG1 4.18Å; Y472-V483 HydrophobicContact CD1-CG1 4.3Å; Y472-V483 HydrophobicContact CD1-CG2 4.15Å; Y472-V483 HydrophobicContact CG-CG1 4.31Å; Y472-V483 HydrophobicContact CG-CG2 4.42Å; I474-V483 HydrophobicContact CG2-CB 4.2Å; I474-V483 HydrophobicContact CG2-CG1 3.86Å; I474-V483 HydrophobicContact CG2-CG2 4.35Å; E479-V483 VanDerWaalsContact O-CG2 3.27Å; E479-V483 WeakPolarHBondContact O-CG2 3.4Å; E479-V483 PolarHBondContact O-N 3.29Å; Y480-V483 PolarHBondContact O-N 2.74Å; T481-V483 PolarHBondContact O-N 3.19Å; V483-K486 PolarHBondContact O-N 2.94Å; V483-F487 PolarHBondContact O-N 3.09Å
484	M	98	Very high	96.5	Very high	3 Å²	3	58 Å²	58	2%	0.015	31%	0.305	C	S	.	.	H	α-helix	trans	-73.4	-33.9	178.8	-64.8	-62.1	164	0	0	112.9	L462 Y480 T481 K482 F487 D488 F493 F537	L462-M484 HydrophobicContact CD1-SD 4.49Å; Y480-M484 HydrophobicContact CD1-CG 4.45Å; Y480-M484 HydrophobicContact CD2-CE 4.37Å; Y480-M484 HydrophobicContact CE1-CG 4.01Å; Y480-M484 HydrophobicContact CE2-CE 3.69Å; Y480-M484 HydrophobicContact CE2-CG 4.3Å; Y480-M484 VanDerWaalsContact O-CG 3.31Å; Y480-M484 WeakPolarHBondContact O-CG 3.32Å; Y480-M484 PolarHBondContact O-N 2.96Å; T481-M484 PolarHBondContact O-N 2.88Å; K482-M484 VanDerWaalsContact C-N 3.31Å; M484-F487 PolarHBondContact O-N 3.46Å; M484-D488 PolarHBondContact O-N 2.87Å; M484-D488 VanDerWaalsContact O-N 3.08Å; M484-F493 HydrophobicContact CB-CZ 4.13Å; M484-F493 WeakPolarHBondContact O-CZ 3.41Å; M484-F493 HydrophobicContact SD-CZ 4.38Å; M484-F537 HydrophobicContact CE-CZ 3.99Å; M484-F537 HydrophobicContact SD-CZ 4.12Å
485	E	97.8	Very high	96.4	Very high	113 Å²	113	59.7 Å²	59.7	53%	0.528	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-41.7	168.5	-71.6	168.8	169.5	0	0	111.8	T481 K482 D488 S489	T481-E485 WeakPolarHBondContact O-CG 3.33Å; T481-E485 PolarHBondContact O-N 2.95Å; K482-E485 PolarHBondContact O-N 3.34Å; E485-D488 PolarHBondContact O-N 3.13Å; E485-S489 WeakPolarHBondContact O-CB 3.37Å; E485-S489 PolarHBondContact O-N 3.15Å; E485-S489 PolarHBondContact O-OG 2.7Å
486	K	98.3	Very high	96.5	Very high	72 Å²	72	55.1 Å²	55.1	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-40.3	174.4	-174.4	173.7	173.7	176.1	0	111.7	F442 E443 Y472 K482 V483 S489 I490	F442-K486 HydrophobicContact CD2-CG 4.23Å; E443-K486 WeakPolarHBondContact OE1-CE 3.4Å; E443-K486 IonicContact OE1-NZ 2.88Å; E443-K486 PolarHBondContact OE1-NZ 3.34Å; E443-K486 IonicContact OE2-NZ 2.66Å; Y472-K486 HydrophobicContact CE1-CD 4.15Å; K482-K486 VanDerWaalsContact O-CB 3.27Å; K482-K486 WeakPolarHBondContact O-CB 3.38Å; K482-K486 PolarHBondContact O-N 3.49Å; V483-K486 PolarHBondContact O-N 2.94Å; K486-S489 WeakPolarHBondContact CA-OG 3.48Å; K486-S489 PolarHBondContact O-OG 3.31Å; K486-I490 HydrophobicContact CD-CD1 4.2Å; K486-I490 HydrophobicContact CG-CD1 3.65Å; K486-I490 HydrophobicContact CG-CG1 4.48Å; K486-I490 WeakPolarHBondContact O-CB 3.39Å; K486-I490 WeakPolarHBondContact O-CG1 3.46Å; K486-I490 PolarHBondContact O-N 3.06Å
487	F	98.6	Very high	96.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-47.3	173.1	179.3	-94.6	0	0	0	111.7	F442 V460 L462 V483 M484 I490 I491 G492 F493 L496	F442-F487 AromaticContact CD1-CD2 3.92Å; F442-F487 HydrophobicContact CD1-CD2 3.92Å; F442-F487 HydrophobicContact CD2-CB 4.06Å; F442-F487 HydrophobicContact CD2-CD2 4.34Å; F442-F487 AromaticContact CE1-CD2 3.87Å; F442-F487 HydrophobicContact CE1-CD2 3.87Å; F442-F487 HydrophobicContact CE2-CB 3.74Å; F442-F487 HydrophobicContact CE2-CD2 4.3Å; F442-F487 HydrophobicContact CG-CD2 4.17Å; F442-F487 HydrophobicContact CZ-CB 4.12Å; F442-F487 HydrophobicContact CZ-CD2 4.07Å; V460-F487 HydrophobicContact CB-CE2 4.42Å; V460-F487 HydrophobicContact CB-CZ 4.32Å; V460-F487 HydrophobicContact CG1-CE2 3.97Å; V460-F487 HydrophobicContact CG1-CZ 4.29Å; L462-F487 HydrophobicContact CD1-CD2 4.19Å; L462-F487 HydrophobicContact CD1-CE1 4.49Å; L462-F487 HydrophobicContact CD1-CE2 4.12Å; L462-F487 HydrophobicContact CD1-CG 4.4Å; L462-F487 HydrophobicContact CD1-CZ 4.27Å; L462-F487 HydrophobicContact CD2-CD2 3.95Å; L462-F487 HydrophobicContact CD2-CE2 3.72Å; L462-F487 HydrophobicContact CD2-CZ 4.48Å; L462-F487 HydrophobicContact CG-CE2 4.16Å; L462-F487 HydrophobicContact CG-CZ 4.47Å; V483-F487 PolarHBondContact O-N 3.09Å; M484-F487 PolarHBondContact O-N 3.46Å; F487-I490 PolarHBondContact O-N 2.95Å; F487-I491 HydrophobicContact CD2-CB 4.17Å; F487-I491 HydrophobicContact CD2-CG1 4.17Å; F487-I491 HydrophobicContact CE1-CB 4.42Å; F487-I491 HydrophobicContact CE1-CG2 4.25Å; F487-I491 HydrophobicContact CE2-CB 3.84Å; F487-I491 HydrophobicContact CE2-CG1 3.97Å; F487-I491 HydrophobicContact CE2-CG2 3.8Å; F487-I491 HydrophobicContact CZ-CB 3.99Å; F487-I491 HydrophobicContact CZ-CG2 3.6Å; F487-I491 WeakPolarHBondContact O-CA 3.38Å; F487-I491 WeakPolarHBondContact O-CB 3.49Å; F487-I491 PolarHBondContact O-N 3.16Å; F487-G492 PolarHBondContact O-N 3.39Å; F487-G492 VanDerWaalsContact O-N 3.1Å; F487-F493 AromaticContact CD1-CD1 3.83Å; F487-F493 HydrophobicContact CD1-CD1 3.83Å; F487-F493 AromaticContact CD1-CE1 3.5Å; F487-F493 HydrophobicContact CD1-CE1 3.5Å; F487-F493 VanDerWaalsContact CD1-CE1 3.5Å; F487-F493 HydrophobicContact CD1-CG 4.46Å; F487-F493 AromaticContact CD1-CZ 3.87Å; F487-F493 HydrophobicContact CD1-CZ 3.87Å; F487-F493 AromaticContact CE1-CD1 3.77Å; F487-F493 HydrophobicContact CE1-CD1 3.77Å; F487-F493 AromaticContact CE1-CE1 3.86Å; F487-F493 HydrophobicContact CE1-CE1 3.86Å; F487-F493 HydrophobicContact CE1-CG 4.47Å; F487-L496 HydrophobicContact CE1-CB 4.24Å; F487-L496 HydrophobicContact CZ-CB 4.37Å; F487-L496 HydrophobicContact CZ-CD1 4.32Å
488	D	98.3	Very high	96.9	Very high	82 Å²	82	50.7 Å²	50.7	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-42.1	-179	-158.8	38	0	0	0	112.6	M484 E485 I490 G492 F493	M484-D488 PolarHBondContact O-N 2.87Å; M484-D488 VanDerWaalsContact O-N 3.08Å; E485-D488 PolarHBondContact O-N 3.13Å; D488-I490 VanDerWaalsContact C-N 3.3Å; D488-I490 PolarHBondContact O-N 3.1Å; D488-G492 WeakPolarHBondContact O-CA 3.23Å; D488-G492 PolarHBondContact O-N 3.04Å; D488-G492 WeakPolarHBondContact OD1-CA 3.45Å; D488-F493 HydrophobicContact CB-CD2 3.7Å; D488-F493 HydrophobicContact CB-CE2 3.56Å; D488-F493 HydrophobicContact CB-CZ 4.47Å; D488-F493 WeakPolarHBondContact OD1-CD2 3.27Å; D488-F493 PolarHBondContact OD1-N 3.14Å
489	S	98.5	Very high	97.2	Very high	96 Å²	96	43.1 Å²	43.1	67%	0.671	23%	0.229	S	C	*	.	H	α-helix	trans	-66.9	-26.1	179	55.9	0	0	0	0	114.6	E485 K486	E485-S489 WeakPolarHBondContact O-CB 3.37Å; E485-S489 PolarHBondContact O-N 3.15Å; E485-S489 PolarHBondContact O-OG 2.7Å; K486-S489 WeakPolarHBondContact CA-OG 3.48Å; K486-S489 PolarHBondContact O-OG 3.31Å
490	I	98.5	Very high	97.3	Very high	33 Å²	33	40.1 Å²	40.1	17%	0.169	22%	0.215	C	C	.	.	H	α-helix	trans	-100.4	-47.6	-177.9	-65.1	174.1	0	0	0	111.7	F442 E443 K446 K486 F487 D488	F442-I490 HydrophobicContact CB-CB 4.3Å; F442-I490 HydrophobicContact CB-CD1 4.3Å; F442-I490 HydrophobicContact CB-CG2 3.99Å; E443-I490 HydrophobicContact CG-CD1 3.99Å; K446-I490 HydrophobicContact CB-CG2 3.78Å; K446-I490 WeakPolarHBondContact CD-O 3.45Å; K446-I490 WeakPolarHBondContact CE-O 3.47Å; K446-I490 HydrophobicContact CG-CG2 4.1Å; K486-I490 HydrophobicContact CD-CD1 4.2Å; K486-I490 HydrophobicContact CG-CD1 3.65Å; K486-I490 HydrophobicContact CG-CG1 4.48Å; K486-I490 WeakPolarHBondContact O-CB 3.39Å; K486-I490 WeakPolarHBondContact O-CG1 3.46Å; K486-I490 PolarHBondContact O-N 3.06Å; F487-I490 PolarHBondContact O-N 2.95Å; D488-I490 VanDerWaalsContact C-N 3.3Å; D488-I490 PolarHBondContact O-N 3.1Å
491	I	97.8	Very high	97.4	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.051	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-50.9	-175.5	-61.5	-70.1	0	0	0	110.5	F442 L445 K446 I449 V460 F487 F495	F442-I491 HydrophobicContact CB-CG1 4.11Å; F442-I491 WeakPolarHBondContact O-CD1 3.49Å; L445-I491 HydrophobicContact CB-CD1 3.89Å; K446-I491 HydrophobicContact CB-CD1 3.92Å; I449-I491 HydrophobicContact CD1-CD1 3.79Å; I449-I491 HydrophobicContact CD1-CG2 4.31Å; V460-I491 HydrophobicContact CG2-CG2 3.95Å; F487-I491 HydrophobicContact CD2-CB 4.17Å; F487-I491 HydrophobicContact CD2-CG1 4.17Å; F487-I491 HydrophobicContact CE1-CB 4.42Å; F487-I491 HydrophobicContact CE1-CG2 4.25Å; F487-I491 HydrophobicContact CE2-CB 3.84Å; F487-I491 HydrophobicContact CE2-CG1 3.97Å; F487-I491 HydrophobicContact CE2-CG2 3.8Å; F487-I491 HydrophobicContact CZ-CB 3.99Å; F487-I491 HydrophobicContact CZ-CG2 3.6Å; F487-I491 WeakPolarHBondContact O-CA 3.38Å; F487-I491 WeakPolarHBondContact O-CB 3.49Å; F487-I491 PolarHBondContact O-N 3.16Å; I491-F495 HydrophobicContact CG2-CB 3.82Å; I491-F495 HydrophobicContact CG2-CD2 4.45Å; I491-F495 HydrophobicContact CG2-CG 4.41Å; I491-F495 WeakPolarHBondContact O-CD2 3.1Å
492	G	96.9	Very high	97.5	Very high	11 Å²	11	36.8 Å²	36.8	11%	0.113	20%	0.195	C	C	.	.			trans	91.7	132.4	-173.6	0	0	0	0	0	113	F487 D488 S494 F495	F487-G492 PolarHBondContact O-N 3.39Å; F487-G492 VanDerWaalsContact O-N 3.1Å; D488-G492 WeakPolarHBondContact O-CA 3.23Å; D488-G492 PolarHBondContact O-N 3.04Å; D488-G492 WeakPolarHBondContact OD1-CA 3.45Å; G492-S494 PolarHBondContact O-N 2.65Å; G492-F495 PolarHBondContact O-N 2.68Å
493	F	95.9	Very high	97.5	Very high	45 Å²	45	31.6 Å²	31.6	20%	0.197	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-60.7	-16.7	179.8	-77.1	-63.3	0	0	0	114.3	M484 F487 D488 F495 L496 R536	M484-F493 HydrophobicContact CB-CZ 4.13Å; M484-F493 WeakPolarHBondContact O-CZ 3.41Å; M484-F493 HydrophobicContact SD-CZ 4.38Å; F487-F493 AromaticContact CD1-CD1 3.83Å; F487-F493 HydrophobicContact CD1-CD1 3.83Å; F487-F493 AromaticContact CD1-CE1 3.5Å; F487-F493 HydrophobicContact CD1-CE1 3.5Å; F487-F493 VanDerWaalsContact CD1-CE1 3.5Å; F487-F493 HydrophobicContact CD1-CG 4.46Å; F487-F493 AromaticContact CD1-CZ 3.87Å; F487-F493 HydrophobicContact CD1-CZ 3.87Å; F487-F493 AromaticContact CE1-CD1 3.77Å; F487-F493 HydrophobicContact CE1-CD1 3.77Å; F487-F493 AromaticContact CE1-CE1 3.86Å; F487-F493 HydrophobicContact CE1-CE1 3.86Å; F487-F493 HydrophobicContact CE1-CG 4.47Å; D488-F493 HydrophobicContact CB-CD2 3.7Å; D488-F493 HydrophobicContact CB-CE2 3.56Å; D488-F493 HydrophobicContact CB-CZ 4.47Å; D488-F493 WeakPolarHBondContact OD1-CD2 3.27Å; D488-F493 PolarHBondContact OD1-N 3.14Å; F493-F495 PolarHBondContact O-N 3.13Å; F493-L496 HydrophobicContact CD1-CB 4.38Å; F493-L496 HydrophobicContact CD1-CD2 3.79Å; F493-L496 HydrophobicContact CE1-CD2 4.12Å; F493-L496 WeakPolarHBondContact O-CB 3.18Å; F493-L496 PolarHBondContact O-N 3.07Å; F493-L496 VanDerWaalsContact O-N 3.15Å; F493-R536 HydrophobicContact CD1-CB 4.38Å; F493-R536 HydrophobicContact CE1-CB 4.34Å; F493-R536 VanDerWaalsContact CE2-CD 3.45Å; F493-R536 VanDerWaalsContact CZ-CD 3.47Å
494	S	93.9	Very high	97.5	Very high	92 Å²	92	31.1 Å²	31.1	64%	0.643	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-60.9	-25.9	171.2	56.1	0	0	0	0	113.6	G492 K497	G492-S494 PolarHBondContact O-N 2.65Å; S494-K497 PolarHBondContact O-NZ 3.28Å
495	F	95.6	Very high	97.5	Very high	37 Å²	37	35.7 Å²	35.7	16%	0.162	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-88.4	-15.8	175.6	-71.4	-84.5	0	0	0	113.7	I449 K455 I458 G459 V460 I491 G492 F493 K497	I449-F495 HydrophobicContact CG2-CD1 4.35Å; I449-F495 HydrophobicContact CG2-CE1 3.83Å; I449-F495 HydrophobicContact CG2-CZ 3.91Å; K455-F495 HydrophobicContact CB-CE1 4.23Å; K455-F495 HydrophobicContact CB-CZ 4.28Å; I458-F495 HydrophobicContact CG2-CD1 3.92Å; I458-F495 HydrophobicContact CG2-CE1 3.64Å; G459-F495 CarbonylContact C-O 3.5Å; G459-F495 WeakPolarHBondContact CA-O 3.49Å; V460-F495 PolarHBondContact N-O 3.31Å; I491-F495 HydrophobicContact CG2-CB 3.82Å; I491-F495 HydrophobicContact CG2-CD2 4.45Å; I491-F495 HydrophobicContact CG2-CG 4.41Å; I491-F495 WeakPolarHBondContact O-CD2 3.1Å; G492-F495 PolarHBondContact O-N 2.68Å; F493-F495 PolarHBondContact O-N 3.13Å; F495-K497 WeakPolarHBondContact O-CG 3.46Å; F495-K497 PolarHBondContact O-N 3.29Å
496	L	96.7	Very high	97.4	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	131.2	177.8	-173.3	63.1	0	0	0	110.3	L462 F487 F493 A498 F537 I540	L462-L496 HydrophobicContact CB-CD1 4.23Å; L462-L496 HydrophobicContact CD1-CD1 3.81Å; L462-L496 HydrophobicContact CG-CD1 3.71Å; F487-L496 HydrophobicContact CE1-CB 4.24Å; F487-L496 HydrophobicContact CZ-CB 4.37Å; F487-L496 HydrophobicContact CZ-CD1 4.32Å; F493-L496 HydrophobicContact CD1-CB 4.38Å; F493-L496 HydrophobicContact CD1-CD2 3.79Å; F493-L496 HydrophobicContact CE1-CD2 4.12Å; F493-L496 WeakPolarHBondContact O-CB 3.18Å; F493-L496 PolarHBondContact O-N 3.07Å; F493-L496 VanDerWaalsContact O-N 3.15Å; L496-A498 WeakPolarHBondContact CD1-O 3.3Å; L496-F537 HydrophobicContact CD2-CD1 3.76Å; L496-F537 HydrophobicContact CD2-CE1 3.77Å; L496-I540 HydrophobicContact CD2-CD1 3.95Å; L496-I540 HydrophobicContact CG-CD1 3.85Å
497	K	96.1	Very high	97.4	Very high	49 Å²	49	34.9 Å²	34.9	21%	0.213	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	-19.9	-179.7	-57	-59.9	151.7	-133.1	0	115.2	L374 I425 V427 V460 S494 F495 P541	L374-K497 HydrophobicContact CD2-CB 4.1Å; L374-K497 HydrophobicContact CD2-CG 4.42Å; I425-K497 HydrophobicContact CD1-CD 3.71Å; I425-K497 HydrophobicContact CD1-CG 4.32Å; I425-K497 HydrophobicContact CG2-CD 4.46Å; I425-K497 HydrophobicContact CG2-CG 4.02Å; V427-K497 HydrophobicContact CG1-CB 4.27Å; V427-K497 HydrophobicContact CG2-CB 4Å; V427-K497 HydrophobicContact CG2-CG 4.27Å; V460-K497 PolarHBondContact O-N 2.83Å; S494-K497 PolarHBondContact O-NZ 3.28Å; F495-K497 WeakPolarHBondContact O-CG 3.46Å; F495-K497 PolarHBondContact O-N 3.29Å; K497-P541 WeakPolarHBondContact O-CD 3.24Å
498	A	97.1	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	165.9	179.7	0	0	0	0	0	110.8	L336 C461 L462 L496 P541	L336-A498 HydrophobicContact CD1-CB 4Å; L336-A498 HydrophobicContact CD2-CB 3.56Å; L336-A498 HydrophobicContact CG-CB 4.44Å; C461-A498 WeakPolarHBondContact CA-O 3.45Å; C461-A498 HydrophobicContact CB-CB 4.17Å; L462-A498 PolarHBondContact N-O 3.29Å; L462-A498 VanDerWaalsContact N-O 3.1Å; L496-A498 WeakPolarHBondContact CD1-O 3.3Å; A498-P541 WeakPolarHBondContact CA-O 3.28Å; A498-P541 HydrophobicContact CB-CB 4.48Å
499	V	98.2	Very high	97.3	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.6	168.5	180	0	0	0	0	107.8	L462 T464 L501 F537 I540 P541 M542 I543	L462-V499 CarbonylContact O-C 3.18Å; L462-V499 WeakPolarHBondContact O-CA 3.17Å; L462-V499 VanDerWaalsContact O-CG1 3.25Å; L462-V499 WeakPolarHBondContact O-CG1 3.18Å; T464-V499 HydrophobicContact CG2-CG1 4.24Å; V499-L501 HydrophobicContact CG1-CD2 3.73Å; V499-L501 HydrophobicContact CG1-CG 4.41Å; V499-F537 HydrophobicContact CG2-CB 4.38Å; V499-F537 HydrophobicContact CG2-CD1 3.31Å; V499-F537 HydrophobicContact CG2-CE1 3.74Å; V499-F537 HydrophobicContact CG2-CG 3.97Å; V499-I540 HydrophobicContact CG2-CD1 4.18Å; V499-P541 PolarHBondContact N-O 3.21Å; V499-M542 HydrophobicContact CB-CG 4.41Å; V499-M542 CarbonylContact O-C 3.57Å; V499-M542 VanDerWaalsContact O-CA 3.32Å; V499-M542 WeakPolarHBondContact O-CA 3.41Å; V499-I543 PolarHBondContact O-N 3.21Å
500	H	98.6	Very high	97.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.4	163.2	-65.4	174.4	0	0	0	108.9	L336 H338 E429 C461 L462 D463 T464 I543 E545	L336-H500 VanDerWaalsContact CD2-NE2 3.34Å; L336-H500 WeakPolarHBondContact CD2-NE2 3.5Å; H338-H500 AromaticContact CD2-CE1 3.89Å; E429-H500 IonicContact OE1-ND1 2.66Å; E429-H500 IonicContact OE2-CE1 3.78Å; E429-H500 PolarHBondContact OE2-CE1 3.2Å; E429-H500 IonicContact OE2-ND1 2.79Å; E429-H500 PolarHBondContact OE2-ND1 2.86Å; C461-H500 PolarHBondContact SG-CD2 2.92Å; L462-H500 PolarHBondContact O-N 3.32Å; D463-H500 HydrophobicContact CB-CB 3.84Å; D463-H500 WeakPolarHBondContact OD2-CB 3.38Å; D463-H500 IonicContact OD2-CG 3.17Å; D463-H500 IonicContact OD2-ND1 3.47Å; T464-H500 PolarHBondContact N-O 3.48Å; T464-H500 PolarHBondContact OG1-O 3.38Å; H500-I543 CarbonylContact C-O 3.6Å; H500-I543 VanDerWaalsContact CA-O 3.25Å; H500-I543 WeakPolarHBondContact CA-O 3.5Å; H500-E545 IonicContact CE1-OE1 3.16Å; H500-E545 IonicContact CE1-OE2 3.68Å; H500-E545 IonicContact CG-OE2 3.99Å; H500-E545 IonicContact ND1-OE1 2.61Å; H500-E545 IonicContact ND1-OE2 3.52Å; H500-E545 PolarHBondContact ND1-OE2 2.85Å; H500-E545 VanDerWaalsContact ND1-OE2 3.16Å
501	L	98.5	Very high	97.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	96.3	-176.4	-66.1	-177.1	0	0	0	109.3	V255 T464 V499 I518 F528 L531 M542 I543 L544 L558	V255-L501 HydrophobicContact CG1-CD1 4.34Å; T464-L501 HydrophobicContact CG2-CD2 4.38Å; V499-L501 HydrophobicContact CG1-CD2 3.73Å; V499-L501 HydrophobicContact CG1-CG 4.41Å; L501-I518 HydrophobicContact CB-CD1 4.4Å; L501-F528 HydrophobicContact CD2-CD1 4.42Å; L501-L531 HydrophobicContact CD2-CD1 4.06Å; L501-M542 HydrophobicContact CD1-CB 3.87Å; L501-M542 HydrophobicContact CD1-CE 4.25Å; L501-M542 HydrophobicContact CD2-CE 4.09Å; L501-M542 HydrophobicContact CG-CB 4.19Å; L501-I543 PolarHBondContact N-O 3.23Å; L501-L544 HydrophobicContact CB-CD2 4.06Å; L501-L558 HydrophobicContact CD1-CD1 3.6Å; L501-L558 HydrophobicContact CD1-CD2 4.42Å
502	N	98.6	Very high	97	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.			trans	-135	126.6	-176.7	-68.8	-52.8	0	0	0	110	D463 T464 C465 H515 M523 E545 T546	D463-N502 PolarHBondContact OD2-ND2 3.01Å; T464-N502 PolarHBondContact OG1-N 2.75Å; T464-N502 PolarHBondContact OG1-O 2.84Å; C465-N502 HydrophobicContact CB-CB 3.65Å; C465-N502 PolarHBondContact N-O 3.24Å; N502-H515 HydrophobicContact CB-CB 4.19Å; N502-H515 PolarHBondContact ND2-CE1 2.92Å; N502-H515 PolarHBondContact ND2-ND1 3.3Å; N502-H515 PolarHBondContact OD1-ND1 3.41Å; N502-M523 WeakPolarHBondContact O-CE 3.22Å; N502-E545 VanDerWaalsContact OD1-CA 3.26Å; N502-E545 WeakPolarHBondContact OD1-CA 3.23Å; N502-E545 WeakPolarHBondContact OD1-CB 3.47Å; N502-E545 PolarHBondContact OD1-N 3.25Å; N502-E545 PolarHBondContact OD1-O 3.3Å; N502-T546 PolarHBondContact OD1-N 2.86Å; N502-T546 VanDerWaalsContact OD1-N 3.07Å
503	D	98.4	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	164.3	166.2	-154.1	-27.2	0	0	0	109	C465 H515 E516 G519 G521 T522 M523 G524 F528	C465-D503 PolarHBondContact SG-O 3.47Å; D503-H515 CarbonylContact O-C 3.54Å; D503-H515 WeakPolarHBondContact O-CA 3.28Å; D503-E516 HydrophobicContact CB-CB 4.18Å; D503-E516 WeakPolarHBondContact CB-O 3.46Å; D503-E516 PolarHBondContact N-O 3.48Å; D503-E516 PolarHBondContact O-N 3.35Å; D503-G519 WeakPolarHBondContact OD2-CA 3.44Å; D503-G519 PolarHBondContact OD2-N 3.39Å; D503-G521 VanDerWaalsContact OD1-CA 3.27Å; D503-G521 WeakPolarHBondContact OD1-CA 3.49Å; D503-G521 PolarHBondContact OD2-N 3.02Å; D503-G521 VanDerWaalsContact OD2-N 3.09Å; D503-T522 PolarHBondContact OD1-N 2.87Å; D503-M523 VanDerWaalsContact OD1-CB 3.29Å; D503-M523 WeakPolarHBondContact OD1-CB 3.5Å; D503-M523 PolarHBondContact OD1-N 3.03Å; D503-G524 PolarHBondContact OD2-N 3.18Å; D503-F528 HydrophobicContact CB-CE2 3.92Å; D503-F528 HydrophobicContact CB-CZ 3.9Å
504	S	98.2	Very high	97	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.7	-177.9	-179.5	0	0	0	0	112.1	C465 D469 G506 G521 T522	C465-S504 VanDerWaalsContact SG-CB 3.54Å; D469-S504 PolarHBondContact OD1-OG 2.95Å; D469-S504 PolarHBondContact OD2-OG 3.49Å; S504-G506 WeakPolarHBondContact OG-CA 3.23Å; S504-G506 PolarHBondContact OG-N 3.25Å; S504-G506 PolarHBondContact OG-O 2.99Å; S504-G521 CarbonylContact O-C 3.58Å; S504-G521 WeakPolarHBondContact O-CA 2.98Å; S504-T522 PolarHBondContact O-N 3.21Å; S504-T522 PolarHBondContact O-OG1 2.91Å
505	K	98	Very high	97.2	Very high	98 Å²	98	38.8 Å²	38.8	43%	0.426	19%	0.189	S	C	.	.	S	Bend	trans	-72.4	-21.8	164.2	-66.1	180	163.9	143.4	0	112.3	R514 H515 E516	K505-R514 HydrophobicContact CB-CB 3.96Å; K505-R514 WeakPolarHBondContact CB-O 3.33Å; K505-R514 HydrophobicContact CD-CB 4.35Å; K505-R514 HydrophobicContact CG-CB 4.43Å; K505-R514 WeakPolarHBondContact CG-O 3.49Å; K505-R514 PolarHBondContact N-O 3.11Å; K505-H515 PolarHBondContact NZ-O 3.32Å; K505-E516 WeakPolarHBondContact CE-OE1 3.43Å; K505-E516 WeakPolarHBondContact CE-OE2 3.44Å; K505-E516 HydrophobicContact CG-CB 3.88Å; K505-E516 HydrophobicContact CG-CG 4.34Å; K505-E516 IonicContact NZ-OE1 3.93Å; K505-E516 PolarHBondContact NZ-OE1 3.22Å; K505-E516 IonicContact NZ-OE2 3.27Å; K505-E516 PolarHBondContact NZ-OE2 3Å
506	G	95.5	Very high	97.3	Very high	11 Å²	11	39 Å²	39	11%	0.113	19%	0.191	C	C	.	.	S	Bend	trans	-80.1	170.1	179.5	0	0	0	0	0	112.7	S504 C510 T522	S504-G506 WeakPolarHBondContact OG-CA 3.23Å; S504-G506 PolarHBondContact OG-N 3.25Å; S504-G506 PolarHBondContact OG-O 2.99Å; G506-C510 VanDerWaalsContact CA-SG 3.51Å; G506-T522 WeakPolarHBondContact O-CB 3.41Å; G506-T522 WeakPolarHBondContact O-CG2 3.44Å; G506-T522 PolarHBondContact O-OG1 3.13Å
507	K	97	Very high	97.4	Very high	158 Å²	158	40.6 Å²	40.6	69%	0.687	20%	0.2	S	C	*	.	P	Polyproline II helix	trans	-91.6	160.7	163.8	63.5	174.9	-176.6	173.8	0	109.4	G509 C510	K507-G509 PolarHBondContact O-N 3.37Å; K507-C510 HydrophobicContact CG-CB 3.94Å; K507-C510 WeakPolarHBondContact O-CB 3.45Å; K507-C510 PolarHBondContact O-N 3.01Å; K507-C510 PolarHBondContact O-SG 3.3Å
508	C	97.9	Very high	97.5	Very high	42 Å²	42	38.5 Å²	38.5	28%	0.284	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	132.3	174.5	-169.9	0	0	0	0	110.8	F468 C510	F468-C508 HydrophobicContact CD1-CB 4.44Å; F468-C508 HydrophobicContact CD2-CB 4.01Å; F468-C508 HydrophobicContact CE1-CB 4.08Å; F468-C508 HydrophobicContact CE2-CB 3.61Å; F468-C508 HydrophobicContact CG-CB 4.42Å; F468-C508 HydrophobicContact CZ-CB 3.66Å; F468-C508 WeakPolarHBondContact O-CA 3.45Å; F468-C508 PolarHBondContact O-SG 3.45Å; F468-C508 VanDerWaalsContact O-SG 3.41Å; C508-C510 VanDerWaalsContact C-N 3.31Å; C508-C510 PolarHBondContact O-N 3.12Å
509	G	97.6	Very high	97.5	Very high	30 Å²	30	39.9 Å²	39.9	31%	0.309	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	22.9	-178.3	0	0	0	0	0	115	F468 D469 K507 H511	F468-G509 PolarHBondContact O-N 3.39Å; D469-G509 CarbonylContact O-C 3.55Å; D469-G509 VanDerWaalsContact O-C 3.27Å; D469-G509 WeakPolarHBondContact O-CA 3.38Å; K507-G509 PolarHBondContact O-N 3.37Å; G509-H511 VanDerWaalsContact C-N 3.35Å
510	C	97.2	Very high	97.4	Very high	26 Å²	26	43.7 Å²	43.7	18%	0.176	23%	0.233	C	C	.	.			trans	-80.7	-12.9	177.5	73	0	0	0	0	114.7	D469 G506 K507 C508 K512	D469-C510 PolarHBondContact O-N 3.24Å; D469-C510 PolarHBondContact OD1-SG 2.84Å; D469-C510 VanDerWaalsContact OD1-SG 3.36Å; G506-C510 VanDerWaalsContact CA-SG 3.51Å; K507-C510 HydrophobicContact CG-CB 3.94Å; K507-C510 WeakPolarHBondContact O-CB 3.45Å; K507-C510 PolarHBondContact O-N 3.01Å; K507-C510 PolarHBondContact O-SG 3.3Å; C508-C510 VanDerWaalsContact C-N 3.31Å; C508-C510 PolarHBondContact O-N 3.12Å; C510-K512 VanDerWaalsContact C-N 3.31Å; C510-K512 PolarHBondContact O-N 2.81Å; C510-K512 PolarHBondContact SG-N 3.17Å
511	H	97.3	Very high	97.4	Very high	76 Å²	76	44.7 Å²	44.7	35%	0.352	24%	0.243	S	C	.	.			trans	54	40.4	-175.2	-53.7	-52.6	0	0	0	114.2	A432 Q434 D469 S470 G509	A432-H511 WeakPolarHBondContact O-CA 3.45Å; A432-H511 PolarHBondContact O-ND1 2.69Å; Q434-H511 VanDerWaalsContact CG-O 3.28Å; Q434-H511 WeakPolarHBondContact CG-O 3.2Å; D469-H511 WeakPolarHBondContact O-CA 3.49Å; D469-H511 PolarHBondContact O-N 3.22Å; D469-H511 PolarHBondContact O-ND1 3.13Å; S470-H511 PolarHBondContact O-CE1 3.44Å; G509-H511 VanDerWaalsContact C-N 3.35Å
512	K	94.1	Very high	97.3	Very high	130 Å²	130	47.2 Å²	47.2	57%	0.565	26%	0.258	S	S	*	.			trans	-133.7	78.8	-178.8	-64.3	174	-176.4	-178.5	0	112	C510 R514	C510-K512 VanDerWaalsContact C-N 3.31Å; C510-K512 PolarHBondContact O-N 2.81Å; C510-K512 PolarHBondContact SG-N 3.17Å; K512-R514 HydrophobicContact CB-CG 4.37Å; K512-R514 WeakPolarHBondContact O-CB 3.34Å; K512-R514 PolarHBondContact O-N 2.8Å
513	D	96.4	Very high	97.3	Very high	36 Å²	36	47.4 Å²	47.4	19%	0.193	26%	0.259	C	S	.	.			trans	-43.1	107.1	163.7	120.9	56.4	0	0	0	109.6	A432 Q434 H466 D469 H515	A432-D513 HydrophobicContact CB-CB 3.76Å; Q434-D513 VanDerWaalsContact NE2-CG 3.25Å; Q434-D513 VanDerWaalsContact NE2-N 3.11Å; Q434-D513 PolarHBondContact NE2-O 2.89Å; Q434-D513 VanDerWaalsContact NE2-O 3.15Å; Q434-D513 PolarHBondContact NE2-OD2 3.17Å; H466-D513 WeakPolarHBondContact NE2-CB 3.25Å; D469-D513 PolarHBondContact OD2-N 3.26Å; D513-H515 IonicContact OD1-CD2 3.86Å; D513-H515 IonicContact OD1-NE2 3.81Å
514	R	96.8	Very high	97.2	Very high	93 Å²	93	48.1 Å²	48.1	35%	0.351	27%	0.267	S	S	.	.			trans	-155.6	79.7	-178.7	-72.9	-55.5	176.6	-102.7	4	105.9	K505 K512	K505-R514 HydrophobicContact CB-CB 3.96Å; K505-R514 WeakPolarHBondContact CB-O 3.33Å; K505-R514 HydrophobicContact CD-CB 4.35Å; K505-R514 HydrophobicContact CG-CB 4.43Å; K505-R514 WeakPolarHBondContact CG-O 3.49Å; K505-R514 PolarHBondContact N-O 3.11Å; K512-R514 HydrophobicContact CB-CG 4.37Å; K512-R514 WeakPolarHBondContact O-CB 3.34Å; K512-R514 PolarHBondContact O-N 2.8Å
515	H	97.9	Very high	97.1	Very high	17 Å²	17	50.8 Å²	50.8	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	147.1	-178	-57.2	-177.2	0	0	0	111.4	D463 H466 N502 D503 K505 D513 E545 P547	D463-H515 IonicContact OD2-CE1 3.03Å; D463-H515 IonicContact OD2-NE2 3.66Å; H466-H515 AromaticContact NE2-NE2 3.56Å; N502-H515 HydrophobicContact CB-CB 4.19Å; N502-H515 PolarHBondContact ND2-CE1 2.92Å; N502-H515 PolarHBondContact ND2-ND1 3.3Å; N502-H515 PolarHBondContact OD1-ND1 3.41Å; D503-H515 CarbonylContact O-C 3.54Å; D503-H515 WeakPolarHBondContact O-CA 3.28Å; K505-H515 PolarHBondContact NZ-O 3.32Å; D513-H515 IonicContact OD1-CD2 3.86Å; D513-H515 IonicContact OD1-NE2 3.81Å; H515-E545 IonicContact CE1-OE2 2.92Å; H515-E545 PolarHBondContact ND1-O 3.47Å; H515-E545 VanDerWaalsContact ND1-O 3.1Å; H515-P547 WeakPolarHBondContact O-CG 3.4Å
516	E	98	Very high	97	Very high	42 Å²	42	51.2 Å²	51.2	20%	0.196	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	157.2	170.7	-168.3	58.5	-61.7	0	0	111.3	D503 K505 T546 P547	D503-E516 HydrophobicContact CB-CB 4.18Å; D503-E516 WeakPolarHBondContact CB-O 3.46Å; D503-E516 PolarHBondContact N-O 3.48Å; D503-E516 PolarHBondContact O-N 3.35Å; K505-E516 WeakPolarHBondContact CE-OE1 3.43Å; K505-E516 WeakPolarHBondContact CE-OE2 3.44Å; K505-E516 HydrophobicContact CG-CB 3.88Å; K505-E516 HydrophobicContact CG-CG 4.34Å; K505-E516 IonicContact NZ-OE1 3.93Å; K505-E516 PolarHBondContact NZ-OE1 3.22Å; K505-E516 IonicContact NZ-OE2 3.27Å; K505-E516 PolarHBondContact NZ-OE2 3Å; E516-T546 WeakPolarHBondContact O-CG2 3.38Å; E516-P547 WeakPolarHBondContact OE1-CG 3.47Å
517	V	97.8	Very high	97.1	Very high	41 Å²	41	50.8 Å²	50.8	25%	0.248	28%	0.282	C	S	.	.			trans	-53.3	137.4	170.4	178.6	0	0	0	0	110.3	G519 S520 P547 A548 E554	V517-G519 PolarHBondContact O-N 3.16Å; V517-S520 WeakPolarHBondContact O-CB 3.48Å; V517-S520 PolarHBondContact O-N 3.44Å; V517-P547 HydrophobicContact CG2-CG 4.34Å; V517-A548 HydrophobicContact CG2-CB 4.12Å; V517-E554 VanDerWaalsContact CA-OE1 3.22Å; V517-E554 WeakPolarHBondContact CA-OE1 3.31Å; V517-E554 HydrophobicContact CG1-CG 4.12Å; V517-E554 VanDerWaalsContact CG1-OE1 3.3Å; V517-E554 WeakPolarHBondContact CG1-OE1 3.48Å
518	I	98.1	Very high	97.1	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	120.9	-178.9	-62.3	-60.1	0	0	0	110.8	L501 S520 F528 L544 T546 E554 L557 L558	L501-I518 HydrophobicContact CB-CD1 4.4Å; I518-S520 VanDerWaalsContact C-N 3.28Å; I518-S520 PolarHBondContact O-N 2.83Å; I518-F528 HydrophobicContact CD1-CD1 3.75Å; I518-F528 HydrophobicContact CD1-CD2 4.23Å; I518-F528 HydrophobicContact CD1-CE1 3.48Å; I518-F528 VanDerWaalsContact CD1-CE1 3.48Å; I518-F528 HydrophobicContact CD1-CE2 3.99Å; I518-F528 HydrophobicContact CD1-CG 4.12Å; I518-F528 HydrophobicContact CD1-CZ 3.61Å; I518-F528 HydrophobicContact CG2-CB 4.3Å; I518-F528 HydrophobicContact CG2-CD2 3.76Å; I518-F528 HydrophobicContact CG2-CE2 4.27Å; I518-F528 HydrophobicContact CG2-CG 3.96Å; I518-L544 HydrophobicContact CD1-CD2 3.82Å; I518-L544 HydrophobicContact CG1-CD2 3.51Å; I518-T546 HydrophobicContact CD1-CG2 4.34Å; I518-T546 HydrophobicContact CG1-CG2 4.31Å; I518-E554 HydrophobicContact CB-CG 4.33Å; I518-E554 HydrophobicContact CG1-CB 4.34Å; I518-E554 HydrophobicContact CG1-CG 4.33Å; I518-E554 WeakPolarHBondContact CG1-OE1 3.39Å; I518-E554 PolarHBondContact N-OE1 2.72Å; I518-L557 HydrophobicContact CG2-CD2 4.02Å; I518-L558 HydrophobicContact CG2-CD2 4.34Å
519	G	96.9	Very high	97.1	Very high	29 Å²	29	45.4 Å²	45.4	30%	0.299	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-8.5	178.6	0	0	0	0	0	115.1	D503 V517	D503-G519 WeakPolarHBondContact OD2-CA 3.44Å; D503-G519 PolarHBondContact OD2-N 3.39Å; V517-G519 PolarHBondContact O-N 3.16Å
520	S	97.3	Very high	97.1	Very high	81 Å²	81	46.1 Å²	46.1	57%	0.566	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-8.9	178.8	-54.5	0	0	0	0	113.2	V517 I518	V517-S520 WeakPolarHBondContact O-CB 3.48Å; V517-S520 PolarHBondContact O-N 3.44Å; I518-S520 VanDerWaalsContact C-N 3.28Å; I518-S520 PolarHBondContact O-N 2.83Å
521	G	97.4	Very high	97.1	Very high	21 Å²	21	45 Å²	45	22%	0.216	24%	0.244	C	C	.	.	S	Bend	trans	-92.8	-166.8	176.9	0	0	0	0	0	113.2	D503 S504 M523	D503-G521 VanDerWaalsContact OD1-CA 3.27Å; D503-G521 WeakPolarHBondContact OD1-CA 3.49Å; D503-G521 PolarHBondContact OD2-N 3.02Å; D503-G521 VanDerWaalsContact OD2-N 3.09Å; S504-G521 CarbonylContact O-C 3.58Å; S504-G521 WeakPolarHBondContact O-CA 2.98Å; G521-M523 VanDerWaalsContact C-N 3.34Å
522	T	97.6	Very high	97.1	Very high	54 Å²	54	41.5 Å²	41.5	33%	0.331	23%	0.228	S	C	.	.	S	Bend	trans	-80.3	-15.7	-177.9	72.8	0	0	0	0	113	F468 K475 D503 S504 G506	F468-T522 VanDerWaalsContact CE1-OG1 3.25Å; F468-T522 WeakPolarHBondContact CE1-OG1 3.33Å; K475-T522 WeakPolarHBondContact CD-O 3.18Å; K475-T522 WeakPolarHBondContact CE-O 3.39Å; K475-T522 PolarHBondContact NZ-O 3.3Å; D503-T522 PolarHBondContact OD1-N 2.87Å; S504-T522 PolarHBondContact O-N 3.21Å; S504-T522 PolarHBondContact O-OG1 2.91Å; G506-T522 WeakPolarHBondContact O-CB 3.41Å; G506-T522 WeakPolarHBondContact O-CG2 3.44Å; G506-T522 PolarHBondContact O-OG1 3.13Å
523	M	97.6	Very high	97.2	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.02	22%	0.221	C	C	.	.	S	Bend	trans	-78.4	-44.6	173.9	-59.6	-161.9	-75.9	0	0	110.9	F468 I474 K475 N502 D503 G521 V527 F528	F468-M523 HydrophobicContact CB-CE 4.46Å; F468-M523 HydrophobicContact CB-CG 4.39Å; F468-M523 HydrophobicContact CB-SD 3.51Å; F468-M523 VanDerWaalsContact CB-SD 3.51Å; F468-M523 HydrophobicContact CD1-CG 3.81Å; F468-M523 HydrophobicContact CD1-SD 4.06Å; F468-M523 HydrophobicContact CD2-CG 3.85Å; F468-M523 HydrophobicContact CD2-SD 3.71Å; F468-M523 HydrophobicContact CE1-CG 3.88Å; F468-M523 HydrophobicContact CE2-CG 3.94Å; F468-M523 HydrophobicContact CE2-SD 4.38Å; F468-M523 HydrophobicContact CG-CG 3.77Å; F468-M523 HydrophobicContact CG-SD 3.51Å; F468-M523 VanDerWaalsContact CG-SD 3.51Å; F468-M523 HydrophobicContact CZ-CG 3.94Å; I474-M523 HydrophobicContact CD1-SD 3.96Å; I474-M523 HydrophobicContact CG1-SD 3.95Å; K475-M523 WeakPolarHBondContact CE-O 3.28Å; N502-M523 WeakPolarHBondContact O-CE 3.22Å; D503-M523 VanDerWaalsContact OD1-CB 3.29Å; D503-M523 WeakPolarHBondContact OD1-CB 3.5Å; D503-M523 PolarHBondContact OD1-N 3.03Å; G521-M523 VanDerWaalsContact C-N 3.34Å; M523-V527 HydrophobicContact CB-CG1 3.79Å; M523-V527 HydrophobicContact SD-CG1 4.38Å; M523-F528 HydrophobicContact CE-CZ 3.95Å
524	G	96.4	Very high	97.2	Very high	15 Å²	15	39 Å²	39	16%	0.155	22%	0.218	C	C	.	.			trans	75.6	-177	179.6	0	0	0	0	0	113.1	D503 E526 F528	D503-G524 PolarHBondContact OD2-N 3.18Å; G524-E526 PolarHBondContact O-N 2.56Å; G524-F528 WeakPolarHBondContact O-CD2 3.27Å; G524-F528 WeakPolarHBondContact O-CE2 3.29Å
525	T	96.6	Very high	97.2	Very high	56 Å²	56	37.8 Å²	37.8	34%	0.344	23%	0.228	S	C	.	.	H	α-helix	trans	-69.6	-30.5	-168.1	49.9	0	0	0	0	115.9	V527 F528 K529 M561	T525-V527 VanDerWaalsContact C-N 3.34Å; T525-V527 PolarHBondContact O-N 3.47Å; T525-F528 PolarHBondContact O-N 3.18Å; T525-F528 VanDerWaalsContact O-N 3.12Å; T525-K529 PolarHBondContact O-N 2.84Å; T525-M561 HydrophobicContact CG2-CE 3.92Å
526	E	96.2	Very high	97.1	Very high	107 Å²	107	41.3 Å²	41.3	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-68.9	-28.4	-168.7	-64.2	-52.7	108	0	0	113.8	G524 K529 T530	G524-E526 PolarHBondContact O-N 2.56Å; E526-K529 IonicContact OE2-NZ 3.29Å; E526-T530 PolarHBondContact O-N 3.21Å; E526-T530 PolarHBondContact O-OG1 2.96Å
527	V	96.9	Very high	97.1	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-67.7	-41	172.1	66.9	0	0	0	0	111	I474 M523 T525 K529 T530 L531	I474-V527 HydrophobicContact CB-CG2 4.23Å; I474-V527 HydrophobicContact CD1-CG2 4.16Å; I474-V527 HydrophobicContact CG1-CG2 4.21Å; I474-V527 VanDerWaalsContact O-CG2 3.22Å; I474-V527 WeakPolarHBondContact O-CG2 3.42Å; M523-V527 HydrophobicContact CB-CG1 3.79Å; M523-V527 HydrophobicContact SD-CG1 4.38Å; T525-V527 VanDerWaalsContact C-N 3.34Å; T525-V527 PolarHBondContact O-N 3.47Å; V527-K529 PolarHBondContact O-N 2.86Å; V527-T530 WeakPolarHBondContact O-CA 3.25Å; V527-T530 VanDerWaalsContact O-CB 3.31Å; V527-T530 WeakPolarHBondContact O-CB 3.12Å; V527-T530 PolarHBondContact O-N 3.27Å; V527-T530 VanDerWaalsContact O-N 3.1Å; V527-L531 HydrophobicContact CG2-CD1 4.24Å; V527-L531 HydrophobicContact CG2-CG 4.49Å; V527-L531 WeakPolarHBondContact O-CG 3.46Å; V527-L531 PolarHBondContact O-N 3.44Å
528	F	98	Very high	96.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-37.7	178.8	-60.5	-68.7	0	0	0	112	L501 D503 I518 M523 G524 T525 T530 L531 M532 L558 M561	L501-F528 HydrophobicContact CD2-CD1 4.42Å; D503-F528 HydrophobicContact CB-CE2 3.92Å; D503-F528 HydrophobicContact CB-CZ 3.9Å; I518-F528 HydrophobicContact CD1-CD1 3.75Å; I518-F528 HydrophobicContact CD1-CD2 4.23Å; I518-F528 HydrophobicContact CD1-CE1 3.48Å; I518-F528 VanDerWaalsContact CD1-CE1 3.48Å; I518-F528 HydrophobicContact CD1-CE2 3.99Å; I518-F528 HydrophobicContact CD1-CG 4.12Å; I518-F528 HydrophobicContact CD1-CZ 3.61Å; I518-F528 HydrophobicContact CG2-CB 4.3Å; I518-F528 HydrophobicContact CG2-CD2 3.76Å; I518-F528 HydrophobicContact CG2-CE2 4.27Å; I518-F528 HydrophobicContact CG2-CG 3.96Å; M523-F528 HydrophobicContact CE-CZ 3.95Å; G524-F528 WeakPolarHBondContact O-CD2 3.27Å; G524-F528 WeakPolarHBondContact O-CE2 3.29Å; T525-F528 PolarHBondContact O-N 3.18Å; T525-F528 VanDerWaalsContact O-N 3.12Å; F528-T530 VanDerWaalsContact C-N 3.27Å; F528-T530 PolarHBondContact O-N 2.98Å; F528-L531 HydrophobicContact CD1-CD1 3.92Å; F528-L531 HydrophobicContact CE1-CD1 4.33Å; F528-L531 PolarHBondContact O-N 3.26Å; F528-M532 WeakPolarHBondContact O-CB 3.4Å; F528-M532 VanDerWaalsContact O-CG 3.29Å; F528-M532 WeakPolarHBondContact O-CG 3.4Å; F528-M532 PolarHBondContact O-N 3.04Å; F528-L558 HydrophobicContact CB-CD2 3.81Å; F528-L558 HydrophobicContact CG-CD2 4.46Å; F528-M561 HydrophobicContact CB-CE 4.39Å; F528-M561 HydrophobicContact CB-SD 4.11Å
529	K	97.3	Very high	96.6	Very high	86 Å²	86	41.2 Å²	41.2	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-60.2	-38	169.8	-174.9	177.8	179.5	-175.8	0	112.2	T525 E526 V527 H533 M561	T525-K529 PolarHBondContact O-N 2.84Å; E526-K529 IonicContact OE2-NZ 3.29Å; V527-K529 PolarHBondContact O-N 2.86Å; K529-H533 PolarHBondContact O-N 3.19Å; K529-H533 PolarHBondContact O-ND1 3.24Å; K529-M561 VanDerWaalsContact CA-SD 3.59Å; K529-M561 HydrophobicContact CB-CB 4.34Å; K529-M561 HydrophobicContact CB-CG 4.28Å; K529-M561 HydrophobicContact CB-SD 3.79Å; K529-M561 HydrophobicContact CG-CB 4.23Å; K529-M561 PolarHBondContact N-SD 3.41Å; K529-M561 VanDerWaalsContact N-SD 3.36Å
530	T	96.9	Very high	96.5	Very high	45 Å²	45	41.1 Å²	41.1	28%	0.276	24%	0.235	S	C	.	.	H	α-helix	trans	-66.1	-50.1	174.9	-57	0	0	0	0	110.9	Y480 E526 V527 F528 M532 H533 D534	Y480-T530 HydrophobicContact CD1-CG2 3.88Å; Y480-T530 HydrophobicContact CD2-CG2 4.43Å; Y480-T530 HydrophobicContact CE1-CG2 3.72Å; Y480-T530 HydrophobicContact CE2-CG2 4.28Å; Y480-T530 HydrophobicContact CG-CG2 4.26Å; E526-T530 PolarHBondContact O-N 3.21Å; E526-T530 PolarHBondContact O-OG1 2.96Å; V527-T530 WeakPolarHBondContact O-CA 3.25Å; V527-T530 VanDerWaalsContact O-CB 3.31Å; V527-T530 WeakPolarHBondContact O-CB 3.12Å; V527-T530 PolarHBondContact O-N 3.27Å; V527-T530 VanDerWaalsContact O-N 3.1Å; F528-T530 VanDerWaalsContact C-N 3.27Å; F528-T530 PolarHBondContact O-N 2.98Å; T530-M532 VanDerWaalsContact C-N 3.31Å; T530-M532 PolarHBondContact O-N 3.4Å; T530-H533 PolarHBondContact O-N 3Å; T530-H533 VanDerWaalsContact O-N 3.07Å; T530-D534 PolarHBondContact O-N 3.17Å
531	L	97.2	Very high	96.4	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-57.2	-41.4	175.9	-67.5	164.4	0	0	0	112.2	T464 Y480 L501 V527 F528 H533 D534 F537	T464-L531 HydrophobicContact CG2-CD1 3.53Å; Y480-L531 HydrophobicContact CE2-CD2 3.83Å; Y480-L531 HydrophobicContact CE2-CG 4.37Å; L501-L531 HydrophobicContact CD2-CD1 4.06Å; V527-L531 HydrophobicContact CG2-CD1 4.24Å; V527-L531 HydrophobicContact CG2-CG 4.49Å; V527-L531 WeakPolarHBondContact O-CG 3.46Å; V527-L531 PolarHBondContact O-N 3.44Å; F528-L531 HydrophobicContact CD1-CD1 3.92Å; F528-L531 HydrophobicContact CE1-CD1 4.33Å; F528-L531 PolarHBondContact O-N 3.26Å; L531-H533 VanDerWaalsContact C-N 3.28Å; L531-H533 PolarHBondContact O-N 3.43Å; L531-D534 PolarHBondContact O-N 2.94Å; L531-F537 HydrophobicContact CD2-CD2 4.17Å; L531-F537 HydrophobicContact CD2-CE2 3.43Å; L531-F537 VanDerWaalsContact CD2-CE2 3.43Å; L531-F537 HydrophobicContact CD2-CZ 3.82Å
532	M	97.6	Very high	96.5	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-25	177.6	-72.7	-58.2	-73.7	0	0	113.3	K253 V255 F528 T530 M542 L558 Y559 L562	K253-M532 HydrophobicContact CB-CE 3.82Å; K253-M532 HydrophobicContact CB-SD 4.36Å; K253-M532 WeakPolarHBondContact CE-O 3.43Å; K253-M532 HydrophobicContact CG-CE 3.74Å; K253-M532 HydrophobicContact CG-SD 4.1Å; V255-M532 HydrophobicContact CG2-CE 3.68Å; V255-M532 HydrophobicContact CG2-SD 3.64Å; F528-M532 WeakPolarHBondContact O-CB 3.4Å; F528-M532 VanDerWaalsContact O-CG 3.29Å; F528-M532 WeakPolarHBondContact O-CG 3.4Å; F528-M532 PolarHBondContact O-N 3.04Å; T530-M532 VanDerWaalsContact C-N 3.31Å; T530-M532 PolarHBondContact O-N 3.4Å; M532-M542 HydrophobicContact SD-CE 4.12Å; M532-M542 HydrophobicContact SD-SD 4.48Å; M532-L558 HydrophobicContact CE-CB 4.26Å; M532-L558 VanDerWaalsContact CE-O 3.31Å; M532-L558 WeakPolarHBondContact CE-O 3.11Å; M532-L558 HydrophobicContact CG-CB 4.4Å; M532-L558 HydrophobicContact CG-CD2 3.97Å; M532-L558 HydrophobicContact SD-CB 4.27Å; M532-L558 HydrophobicContact SD-CD2 4.4Å; M532-Y559 HydrophobicContact CE-CD1 4.21Å; M532-Y559 HydrophobicContact CE-CE1 4.39Å; M532-L562 HydrophobicContact CB-CD2 4.01Å; M532-L562 HydrophobicContact CE-CD1 4.07Å; M532-L562 HydrophobicContact CE-CD2 4.38Å; M532-L562 HydrophobicContact CE-CG 4.18Å; M532-L562 VanDerWaalsContact O-CD2 3.27Å; M532-L562 WeakPolarHBondContact O-CD2 3Å
533	H	96.6	Very high	96.5	Very high	92 Å²	92	33.8 Å²	33.8	43%	0.426	18%	0.183	S	C	.	.	H	α-helix	trans	-91.5	-13.4	173.6	-75.4	84.4	0	0	0	114.2	K121 K529 T530 L531 A535 M561	K121-H533 PolarHBondContact NZ-NE2 3.47Å; K529-H533 PolarHBondContact O-N 3.19Å; K529-H533 PolarHBondContact O-ND1 3.24Å; T530-H533 PolarHBondContact O-N 3Å; T530-H533 VanDerWaalsContact O-N 3.07Å; L531-H533 VanDerWaalsContact C-N 3.28Å; L531-H533 PolarHBondContact O-N 3.43Å; H533-A535 PolarHBondContact O-N 3.45Å; H533-M561 PolarHBondContact CE1-O 3.03Å
534	D	96.9	Very high	96.6	Very high	21 Å²	21	33.6 Å²	33.6	11%	0.112	18%	0.182	C	C	.	.			trans	-81.4	105.8	-173.9	-170.2	-27.1	0	0	0	111.3	K253 Y480 T530 L531 R536 F537	K253-D534 PolarHBondContact NZ-O 3.13Å; Y480-D534 WeakPolarHBondContact CE1-OD2 3.37Å; Y480-D534 PolarHBondContact OH-OD2 3.15Å; T530-D534 PolarHBondContact O-N 3.17Å; L531-D534 PolarHBondContact O-N 2.94Å; D534-R536 PolarHBondContact O-N 2.9Å; D534-R536 VanDerWaalsContact OD1-CB 3.27Å; D534-R536 WeakPolarHBondContact OD1-CB 3.41Å; D534-R536 VanDerWaalsContact OD1-CG 3.31Å; D534-R536 WeakPolarHBondContact OD1-CG 3.46Å; D534-R536 IonicContact OD1-CZ 2.68Å; D534-R536 PolarHBondContact OD1-N 3.37Å; D534-R536 IonicContact OD1-NE 3.31Å; D534-R536 PolarHBondContact OD1-NE 3.34Å; D534-R536 IonicContact OD1-NH2 3.22Å; D534-R536 IonicContact OD2-CZ 2.73Å; D534-R536 VanDerWaalsContact OD2-CZ 3.31Å; D534-R536 IonicContact OD2-NE 3.79Å; D534-R536 PolarHBondContact OD2-NE 3.23Å; D534-R536 VanDerWaalsContact OD2-NE 3.12Å; D534-R536 IonicContact OD2-NH2 3.53Å; D534-R536 PolarHBondContact OD2-NH2 3.08Å; D534-F537 HydrophobicContact CB-CD2 3.8Å; D534-F537 HydrophobicContact CB-CE2 3.71Å; D534-F537 PolarHBondContact O-N 2.94Å; D534-F537 VanDerWaalsContact O-N 3.08Å
535	A	96.3	Very high	96.6	Very high	68 Å²	68	33.6 Å²	33.6	56%	0.562	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-57.4	-14.3	-176.5	0	0	0	0	0	114.6	H533 F537 D538	H533-A535 PolarHBondContact O-N 3.45Å; A535-F537 PolarHBondContact O-N 3.43Å; A535-D538 WeakPolarHBondContact O-CB 3.34Å; A535-D538 PolarHBondContact O-N 3.5Å; A535-D538 VanDerWaalsContact O-N 3.17Å
536	R	95.9	Very high	96.6	Very high	91 Å²	91	31.2 Å²	31.2	34%	0.343	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-66.9	-20.1	175.5	-63.3	176.2	-76.3	-162.3	1.6	113.4	F493 D534	F493-R536 HydrophobicContact CD1-CB 4.38Å; F493-R536 HydrophobicContact CE1-CB 4.34Å; F493-R536 VanDerWaalsContact CE2-CD 3.45Å; F493-R536 VanDerWaalsContact CZ-CD 3.47Å; D534-R536 PolarHBondContact O-N 2.9Å; D534-R536 VanDerWaalsContact OD1-CB 3.27Å; D534-R536 WeakPolarHBondContact OD1-CB 3.41Å; D534-R536 VanDerWaalsContact OD1-CG 3.31Å; D534-R536 WeakPolarHBondContact OD1-CG 3.46Å; D534-R536 IonicContact OD1-CZ 2.68Å; D534-R536 PolarHBondContact OD1-N 3.37Å; D534-R536 IonicContact OD1-NE 3.31Å; D534-R536 PolarHBondContact OD1-NE 3.34Å; D534-R536 IonicContact OD1-NH2 3.22Å; D534-R536 IonicContact OD2-CZ 2.73Å; D534-R536 VanDerWaalsContact OD2-CZ 3.31Å; D534-R536 IonicContact OD2-NE 3.79Å; D534-R536 PolarHBondContact OD2-NE 3.23Å; D534-R536 VanDerWaalsContact OD2-NE 3.12Å; D534-R536 IonicContact OD2-NH2 3.53Å; D534-R536 PolarHBondContact OD2-NH2 3.08Å
537	F	96.6	Very high	96.5	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-103.9	20.8	173.5	-39.6	-65.7	0	0	0	113.1	K253 Y480 M484 L496 V499 L531 D534 A535 I540 M542	K253-F537 VanDerWaalsContact NZ-C 3.28Å; K253-F537 PolarHBondContact NZ-O 2.78Å; Y480-F537 VanDerWaalsContact OH-CE2 3.28Å; Y480-F537 WeakPolarHBondContact OH-CE2 3.22Å; M484-F537 HydrophobicContact CE-CZ 3.99Å; M484-F537 HydrophobicContact SD-CZ 4.12Å; L496-F537 HydrophobicContact CD2-CD1 3.76Å; L496-F537 HydrophobicContact CD2-CE1 3.77Å; V499-F537 HydrophobicContact CG2-CB 4.38Å; V499-F537 HydrophobicContact CG2-CD1 3.31Å; V499-F537 HydrophobicContact CG2-CE1 3.74Å; V499-F537 HydrophobicContact CG2-CG 3.97Å; L531-F537 HydrophobicContact CD2-CD2 4.17Å; L531-F537 HydrophobicContact CD2-CE2 3.43Å; L531-F537 VanDerWaalsContact CD2-CE2 3.43Å; L531-F537 HydrophobicContact CD2-CZ 3.82Å; D534-F537 HydrophobicContact CB-CD2 3.8Å; D534-F537 HydrophobicContact CB-CE2 3.71Å; D534-F537 PolarHBondContact O-N 2.94Å; D534-F537 VanDerWaalsContact O-N 3.08Å; A535-F537 PolarHBondContact O-N 3.43Å; F537-I540 HydrophobicContact CB-CD1 4.3Å; F537-I540 HydrophobicContact CB-CG1 4.36Å; F537-I540 HydrophobicContact CD1-CD1 4.19Å; F537-M542 HydrophobicContact CB-CE 3.98Å; F537-M542 HydrophobicContact CB-SD 3.98Å; F537-M542 HydrophobicContact CG-CE 4.47Å
538	D	94.5	Very high	96.1	Very high	46 Å²	46	29.8 Å²	29.8	25%	0.246	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	144.9	169.1	-75.4	2.2	0	0	0	110	K252 K253 A535 I540	K252-D538 HydrophobicContact CB-CB 3.82Å; K252-D538 HydrophobicContact CD-CB 4.03Å; K252-D538 WeakPolarHBondContact CD-OD2 3.49Å; K253-D538 WeakPolarHBondContact CE-OD1 3.39Å; K253-D538 IonicContact NZ-OD1 3.03Å; K253-D538 PolarHBondContact NZ-OD1 3.32Å; A535-D538 WeakPolarHBondContact O-CB 3.34Å; A535-D538 PolarHBondContact O-N 3.5Å; A535-D538 VanDerWaalsContact O-N 3.17Å; D538-I540 PolarHBondContact O-N 3.08Å
539	S	92.7	Very high	95.5	Very high	40 Å²	40	35.3 Å²	35.3	28%	0.28	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	13.2	171.6	-58.9	0	0	0	0	116.5	Y226 K252	Y226-S539 WeakPolarHBondContact OH-CB 3.5Å; Y226-S539 PolarHBondContact OH-O 2.94Å; K252-S539 PolarHBondContact O-N 3.42Å
540	I	93.8	Very high	95.1	Very high	27 Å²	27	33 Å²	33	14%	0.138	19%	0.194	C	C	.	.	S	Bend	trans	-117.1	151.4	169.8	63.3	172.7	0	0	0	111.1	L254 L496 V499 F537 D538 M542	L254-I540 WeakPolarHBondContact CB-O 3.49Å; L496-I540 HydrophobicContact CD2-CD1 3.95Å; L496-I540 HydrophobicContact CG-CD1 3.85Å; V499-I540 HydrophobicContact CG2-CD1 4.18Å; F537-I540 HydrophobicContact CB-CD1 4.3Å; F537-I540 HydrophobicContact CB-CG1 4.36Å; F537-I540 HydrophobicContact CD1-CD1 4.19Å; D538-I540 PolarHBondContact O-N 3.08Å; I540-M542 PolarHBondContact O-N 3.27Å
541	P	96.2	Very high	95	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.013	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	132.5	175	-26.3	36.2	0	0	0	112.8	A297 G333 L336 L374 K497 A498 V499 I543	A297-P541 HydrophobicContact CB-CB 3.94Å; A297-P541 HydrophobicContact CB-CG 4.4Å; G333-P541 WeakPolarHBondContact O-CD 3.47Å; G333-P541 WeakPolarHBondContact O-CG 3.12Å; L336-P541 HydrophobicContact CB-CB 4.49Å; L374-P541 HydrophobicContact CD1-CG 3.9Å; K497-P541 WeakPolarHBondContact O-CD 3.24Å; A498-P541 WeakPolarHBondContact CA-O 3.28Å; A498-P541 HydrophobicContact CB-CB 4.48Å; V499-P541 PolarHBondContact N-O 3.21Å; P541-I543 HydrophobicContact CB-CD1 3.92Å; P541-I543 HydrophobicContact CB-CG1 4.04Å
542	M	98.4	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	99.7	171.9	-59	177	78.2	0	0	107.8	K253 L254 V255 G256 V499 L501 M532 F537 I540	K253-M542 HydrophobicContact CB-SD 4.19Å; K253-M542 HydrophobicContact CD-SD 3.82Å; K253-M542 HydrophobicContact CG-SD 4.36Å; L254-M542 PolarHBondContact O-N 3.01Å; V255-M542 VanDerWaalsContact CA-O 3.31Å; V255-M542 WeakPolarHBondContact CA-O 3.47Å; V255-M542 HydrophobicContact CG2-CB 4.23Å; V255-M542 HydrophobicContact CG2-SD 4.35Å; G256-M542 PolarHBondContact N-O 3.22Å; V499-M542 HydrophobicContact CB-CG 4.41Å; V499-M542 CarbonylContact O-C 3.57Å; V499-M542 VanDerWaalsContact O-CA 3.32Å; V499-M542 WeakPolarHBondContact O-CA 3.41Å; L501-M542 HydrophobicContact CD1-CB 3.87Å; L501-M542 HydrophobicContact CD1-CE 4.25Å; L501-M542 HydrophobicContact CD2-CE 4.09Å; L501-M542 HydrophobicContact CG-CB 4.19Å; M532-M542 HydrophobicContact SD-CE 4.12Å; M532-M542 HydrophobicContact SD-SD 4.48Å; F537-M542 HydrophobicContact CB-CE 3.98Å; F537-M542 HydrophobicContact CB-SD 3.98Å; F537-M542 HydrophobicContact CG-CE 4.47Å; I540-M542 PolarHBondContact O-N 3.27Å
543	I	98.2	Very high	94.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.2	-164.1	-55.7	-51.3	0	0	0	111.2	G256 H258 A297 L336 V499 H500 L501 P541 E545	G256-I543 CarbonylContact O-C 3.59Å; G256-I543 WeakPolarHBondContact O-CA 3.4Å; H258-I543 HydrophobicContact CB-CG2 4.04Å; A297-I543 HydrophobicContact CB-CD1 3.92Å; L336-I543 HydrophobicContact CB-CG1 4.22Å; L336-I543 HydrophobicContact CD2-CG1 3.84Å; V499-I543 PolarHBondContact O-N 3.21Å; H500-I543 CarbonylContact C-O 3.6Å; H500-I543 VanDerWaalsContact CA-O 3.25Å; H500-I543 WeakPolarHBondContact CA-O 3.5Å; L501-I543 PolarHBondContact N-O 3.23Å; P541-I543 HydrophobicContact CB-CD1 3.92Å; P541-I543 HydrophobicContact CB-CG1 4.04Å; I543-E545 HydrophobicContact CG2-CG 4.33Å
544	L	98.5	Very high	94.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.6	169.2	-65.1	157.4	0	0	0	110.4	G256 G257 H258 L501 I518 T546 Y551 E554 I555 L558	G256-L544 PolarHBondContact O-N 3.39Å; G257-L544 CarbonylContact C-O 3.58Å; G257-L544 WeakPolarHBondContact CA-O 3.42Å; H258-L544 PolarHBondContact N-O 3.44Å; L501-L544 HydrophobicContact CB-CD2 4.06Å; I518-L544 HydrophobicContact CD1-CD2 3.82Å; I518-L544 HydrophobicContact CG1-CD2 3.51Å; L544-T546 HydrophobicContact CB-CG2 4.48Å; L544-T546 HydrophobicContact CD2-CG2 3.96Å; L544-Y551 HydrophobicContact CB-CD1 3.66Å; L544-Y551 HydrophobicContact CB-CE1 3.73Å; L544-Y551 HydrophobicContact CB-CG 4.33Å; L544-Y551 HydrophobicContact CD1-CD1 4.04Å; L544-Y551 HydrophobicContact CD1-CG 4.3Å; L544-Y551 HydrophobicContact CG-CD1 4.45Å; L544-Y551 PolarHBondContact O-OH 2.94Å; L544-E554 HydrophobicContact CD1-CB 3.78Å; L544-E554 HydrophobicContact CD2-CB 4.14Å; L544-I555 HydrophobicContact CD1-CD1 4.5Å; L544-I555 HydrophobicContact CD1-CG1 3.63Å; L544-L558 HydrophobicContact CD1-CD1 4.38Å; L544-L558 HydrophobicContact CD2-CD1 3.9Å; L544-L558 HydrophobicContact CG-CD1 4.35Å
545	E	97.2	Very high	94.8	Very high	16 Å²	16	36.5 Å²	36.5	8%	0.075	20%	0.203	C	C	.	.			trans	-127.4	27.2	170.4	-46	-164.6	120.6	0	0	111.6	H258 H338 H500 N502 H515 I543	H258-E545 HydrophobicContact CB-CG 4.11Å; H258-E545 IonicContact CD2-OE1 3.39Å; H258-E545 PolarHBondContact CD2-OE1 3.33Å; H258-E545 VanDerWaalsContact CD2-OE1 3.27Å; H258-E545 IonicContact CG-OE1 2.65Å; H338-E545 IonicContact CD2-OE1 3.91Å; H500-E545 IonicContact CE1-OE1 3.16Å; H500-E545 IonicContact CE1-OE2 3.68Å; H500-E545 IonicContact CG-OE2 3.99Å; H500-E545 IonicContact ND1-OE1 2.61Å; H500-E545 IonicContact ND1-OE2 3.52Å; H500-E545 PolarHBondContact ND1-OE2 2.85Å; H500-E545 VanDerWaalsContact ND1-OE2 3.16Å; N502-E545 VanDerWaalsContact OD1-CA 3.26Å; N502-E545 WeakPolarHBondContact OD1-CA 3.23Å; N502-E545 WeakPolarHBondContact OD1-CB 3.47Å; N502-E545 PolarHBondContact OD1-N 3.25Å; N502-E545 PolarHBondContact OD1-O 3.3Å; H515-E545 IonicContact CE1-OE2 2.92Å; H515-E545 PolarHBondContact ND1-O 3.47Å; H515-E545 VanDerWaalsContact ND1-O 3.1Å; I543-E545 HydrophobicContact CG2-CG 4.33Å
546	T	96.7	Very high	94.7	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.037	19%	0.186	C	C	.	.			trans	-66.4	159.4	-177.4	70.2	0	0	0	0	110.3	N502 E516 I518 L544 A548 Y551 E554	N502-T546 PolarHBondContact OD1-N 2.86Å; N502-T546 VanDerWaalsContact OD1-N 3.07Å; E516-T546 WeakPolarHBondContact O-CG2 3.38Å; I518-T546 HydrophobicContact CD1-CG2 4.34Å; I518-T546 HydrophobicContact CG1-CG2 4.31Å; L544-T546 HydrophobicContact CB-CG2 4.48Å; L544-T546 HydrophobicContact CD2-CG2 3.96Å; T546-A548 PolarHBondContact O-N 2.72Å; T546-A548 WeakPolarHBondContact OG1-CB 3.42Å; T546-Y551 WeakPolarHBondContact OG1-CE1 3.42Å; T546-E554 WeakPolarHBondContact CG2-OE1 3.45Å; T546-E554 PolarHBondContact OG1-OE1 2.88Å; T546-E554 PolarHBondContact OG1-OE2 3.35Å
547	P	94	Very high	94.8	Very high	62 Å²	62	34 Å²	34	40%	0.403	19%	0.185	S	C	.	.	S	Bend	trans	-76.8	21.3	175.3	34.9	-38.2	0	0	0	113.3	H515 E516 V517	H515-P547 WeakPolarHBondContact O-CG 3.4Å; E516-P547 WeakPolarHBondContact OE1-CG 3.47Å; V517-P547 HydrophobicContact CG2-CG 4.34Å
548	A	89.3	Confident	94.8	Very high	17 Å²	17	33.9 Å²	33.9	14%	0.14	19%	0.185	C	C	.	.			trans	-63.5	147.4	179.7	0	0	0	0	0	112	V264 V517 T546 S550 Y551 E554	V264-A548 WeakPolarHBondContact CG1-O 3.14Å; V517-A548 HydrophobicContact CG2-CB 4.12Å; T546-A548 PolarHBondContact O-N 2.72Å; T546-A548 WeakPolarHBondContact OG1-CB 3.42Å; A548-S550 PolarHBondContact O-N 3.01Å; A548-Y551 HydrophobicContact CB-CD1 4.4Å; A548-E554 WeakPolarHBondContact CB-OE2 3.36Å
549	T	84.9	Confident	94.9	Very high	117 Å²	117	31.7 Å²	31.7	72%	0.718	17%	0.173	S	C	*	.	S	Bend	trans	-69.9	-22.8	174.8	51.3	0	0	0	0	112.7	V264	V264-T549 WeakPolarHBondContact CB-O 3.39Å; V264-T549 WeakPolarHBondContact CG1-O 3.45Å
550	S	88	Confident	95	Very high	38 Å²	38	33.3 Å²	33.3	27%	0.266	18%	0.176	S	C	.	.			trans	-165.6	152.8	166	-155.9	0	0	0	0	110.5	A548 E552	A548-S550 PolarHBondContact O-N 3.01Å; S550-E552 WeakPolarHBondContact CB-OE2 3.29Å; S550-E552 PolarHBondContact OG-OE1 3.2Å; S550-E552 PolarHBondContact OG-OE2 2.89Å
551	Y	94.8	Very high	95	Very high	16 Å²	16	33.1 Å²	33.1	6%	0.063	18%	0.175	C	C	.	.	S	Bend	trans	-89.9	-8.1	-167.9	-61.1	-63.5	0	0	0	115.1	H258 M259 V264 L544 T546 A548 K553 E554 I555	H258-Y551 WeakPolarHBondContact O-CE2 3.41Å; M259-Y551 HydrophobicContact CE-CD2 3.66Å; M259-Y551 HydrophobicContact CE-CE2 4.01Å; V264-Y551 HydrophobicContact CG2-CD2 4.03Å; V264-Y551 HydrophobicContact CG2-CE2 4.15Å; L544-Y551 HydrophobicContact CB-CD1 3.66Å; L544-Y551 HydrophobicContact CB-CE1 3.73Å; L544-Y551 HydrophobicContact CB-CG 4.33Å; L544-Y551 HydrophobicContact CD1-CD1 4.04Å; L544-Y551 HydrophobicContact CD1-CG 4.3Å; L544-Y551 HydrophobicContact CG-CD1 4.45Å; L544-Y551 PolarHBondContact O-OH 2.94Å; T546-Y551 WeakPolarHBondContact OG1-CE1 3.42Å; A548-Y551 HydrophobicContact CB-CD1 4.4Å; Y551-K553 VanDerWaalsContact C-N 3.25Å; Y551-K553 PolarHBondContact O-N 3.02Å; Y551-K553 VanDerWaalsContact O-N 3.16Å; Y551-E554 WeakPolarHBondContact CD1-OE2 3.36Å; Y551-E554 PolarHBondContact O-N 3.09Å; Y551-I555 WeakPolarHBondContact O-CB 3.33Å; Y551-I555 VanDerWaalsContact O-CG1 3.3Å; Y551-I555 WeakPolarHBondContact O-CG1 3.34Å; Y551-I555 PolarHBondContact O-N 2.84Å
552	E	94.4	Very high	94.8	Very high	41 Å²	41	35 Å²	35	19%	0.192	18%	0.184	C	C	.	.	H	α-helix	trans	-53.8	-43.9	-171.9	-64.6	74.5	-162.5	0	0	111.9	A239 T293 S550 I555 E556	A239-E552 HydrophobicContact CB-CB 4.32Å; A239-E552 HydrophobicContact CB-CG 3.52Å; T293-E552 WeakPolarHBondContact CA-OE1 3.49Å; T293-E552 VanDerWaalsContact CB-OE1 3.26Å; T293-E552 WeakPolarHBondContact CB-OE1 3.27Å; T293-E552 HydrophobicContact CG2-CG 4.09Å; T293-E552 VanDerWaalsContact CG2-OE1 3.26Å; T293-E552 WeakPolarHBondContact CG2-OE1 3.38Å; T293-E552 PolarHBondContact OG1-OE1 2.84Å; S550-E552 WeakPolarHBondContact CB-OE2 3.29Å; S550-E552 PolarHBondContact OG-OE1 3.2Å; S550-E552 PolarHBondContact OG-OE2 2.89Å; E552-I555 PolarHBondContact O-N 2.79Å; E552-E556 VanDerWaalsContact O-CB 3.25Å; E552-E556 WeakPolarHBondContact O-CB 3.36Å; E552-E556 PolarHBondContact O-N 2.96Å
553	K	94.9	Very high	94.6	Very high	172 Å²	172	36.8 Å²	36.8	75%	0.748	19%	0.194	S	C	*	.	H	α-helix	trans	-68	-35	-179.3	-66.1	-175.4	177.5	-176.7	0	113.3	Y551 L557	Y551-K553 VanDerWaalsContact C-N 3.25Å; Y551-K553 PolarHBondContact O-N 3.02Å; Y551-K553 VanDerWaalsContact O-N 3.16Å; K553-L557 WeakPolarHBondContact O-CB 3.27Å; K553-L557 PolarHBondContact O-N 2.62Å
554	E	97.3	Very high	94.4	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-77.5	-38.6	178.3	-68.6	-179.9	114.4	0	0	111.1	V517 I518 L544 T546 A548 Y551 L557 L558	V517-E554 VanDerWaalsContact CA-OE1 3.22Å; V517-E554 WeakPolarHBondContact CA-OE1 3.31Å; V517-E554 HydrophobicContact CG1-CG 4.12Å; V517-E554 VanDerWaalsContact CG1-OE1 3.3Å; V517-E554 WeakPolarHBondContact CG1-OE1 3.48Å; I518-E554 HydrophobicContact CB-CG 4.33Å; I518-E554 HydrophobicContact CG1-CB 4.34Å; I518-E554 HydrophobicContact CG1-CG 4.33Å; I518-E554 WeakPolarHBondContact CG1-OE1 3.39Å; I518-E554 PolarHBondContact N-OE1 2.72Å; L544-E554 HydrophobicContact CD1-CB 3.78Å; L544-E554 HydrophobicContact CD2-CB 4.14Å; T546-E554 WeakPolarHBondContact CG2-OE1 3.45Å; T546-E554 PolarHBondContact OG1-OE1 2.88Å; T546-E554 PolarHBondContact OG1-OE2 3.35Å; A548-E554 WeakPolarHBondContact CB-OE2 3.36Å; Y551-E554 WeakPolarHBondContact CD1-OE2 3.36Å; Y551-E554 PolarHBondContact O-N 3.09Å; E554-L557 PolarHBondContact O-N 2.84Å; E554-L558 WeakPolarHBondContact O-CB 3.36Å; E554-L558 WeakPolarHBondContact O-CG 3.3Å; E554-L558 PolarHBondContact O-N 3.31Å
555	I	97.4	Very high	94.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-50.8	171.5	-68.8	168.9	0	0	0	109.5	M248 V255 T293 C295 L544 Y551 E552 L558 Y559	M248-I555 HydrophobicContact CE-CG2 3.45Å; M248-I555 VanDerWaalsContact CE-CG2 3.45Å; V255-I555 HydrophobicContact CG1-CG1 4.38Å; T293-I555 HydrophobicContact CG2-CD1 3.93Å; T293-I555 WeakPolarHBondContact O-CD1 3.22Å; C295-I555 VanDerWaalsContact SG-CD1 3.55Å; L544-I555 HydrophobicContact CD1-CD1 4.5Å; L544-I555 HydrophobicContact CD1-CG1 3.63Å; Y551-I555 WeakPolarHBondContact O-CB 3.33Å; Y551-I555 VanDerWaalsContact O-CG1 3.3Å; Y551-I555 WeakPolarHBondContact O-CG1 3.34Å; Y551-I555 PolarHBondContact O-N 2.84Å; E552-I555 PolarHBondContact O-N 2.79Å; I555-L558 PolarHBondContact O-N 2.73Å; I555-Y559 HydrophobicContact CG2-CD2 3.96Å; I555-Y559 HydrophobicContact CG2-CE2 3.87Å; I555-Y559 WeakPolarHBondContact O-CD2 3.39Å; I555-Y559 PolarHBondContact O-N 2.76Å
556	E	95.8	Very high	94	Very high	45 Å²	45	42.3 Å²	42.3	21%	0.21	22%	0.223	C	C	.	.	H	α-helix	trans	-56.2	-55.2	175.1	174.2	151.5	-117.5	0	0	111.5	V240 S241 A244 E552 L558 Y559 E560	V240-E556 HydrophobicContact CG1-CB 4.2Å; S241-E556 WeakPolarHBondContact CA-OE1 3.22Å; S241-E556 WeakPolarHBondContact CB-OE1 3.44Å; S241-E556 PolarHBondContact N-OE1 2.99Å; S241-E556 PolarHBondContact OG-OE1 2.77Å; A244-E556 HydrophobicContact CB-CB 4.5Å; A244-E556 HydrophobicContact CB-CG 4.08Å; E552-E556 VanDerWaalsContact O-CB 3.25Å; E552-E556 WeakPolarHBondContact O-CB 3.36Å; E552-E556 PolarHBondContact O-N 2.96Å; E556-L558 VanDerWaalsContact C-N 3.29Å; E556-L558 PolarHBondContact O-N 3.28Å; E556-Y559 PolarHBondContact O-N 3.28Å; E556-Y559 VanDerWaalsContact O-N 3.16Å; E556-E560 HydrophobicContact CG-CG 4.18Å; E556-E560 WeakPolarHBondContact O-CB 3.36Å; E556-E560 WeakPolarHBondContact O-CG 3.46Å; E556-E560 PolarHBondContact O-N 3.33Å
557	L	96.6	Very high	93.9	Very high	60 Å²	60	44.6 Å²	44.6	31%	0.314	24%	0.235	S	C	.	.	H	α-helix	trans	-52.2	-44.6	177.5	173.5	62.5	0	0	0	112.5	I518 K553 E554 E560 M561	I518-L557 HydrophobicContact CG2-CD2 4.02Å; K553-L557 WeakPolarHBondContact O-CB 3.27Å; K553-L557 PolarHBondContact O-N 2.62Å; E554-L557 PolarHBondContact O-N 2.84Å; L557-E560 PolarHBondContact O-N 2.98Å; L557-M561 HydrophobicContact CD1-CE 4Å; L557-M561 HydrophobicContact CD2-CE 4.41Å; L557-M561 HydrophobicContact CG-CE 3.94Å; L557-M561 WeakPolarHBondContact O-CG 3.46Å; L557-M561 PolarHBondContact O-N 2.72Å
558	L	98	Very high	93.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-45	179.2	-76.1	168.6	0	0	0	112.3	V255 L501 I518 F528 M532 L544 E554 I555 E556 E560 M561	V255-L558 HydrophobicContact CG1-CB 4.34Å; V255-L558 HydrophobicContact CG1-CD1 3.6Å; L501-L558 HydrophobicContact CD1-CD1 3.6Å; L501-L558 HydrophobicContact CD1-CD2 4.42Å; I518-L558 HydrophobicContact CG2-CD2 4.34Å; F528-L558 HydrophobicContact CB-CD2 3.81Å; F528-L558 HydrophobicContact CG-CD2 4.46Å; M532-L558 HydrophobicContact CE-CB 4.26Å; M532-L558 VanDerWaalsContact CE-O 3.31Å; M532-L558 WeakPolarHBondContact CE-O 3.11Å; M532-L558 HydrophobicContact CG-CB 4.4Å; M532-L558 HydrophobicContact CG-CD2 3.97Å; M532-L558 HydrophobicContact SD-CB 4.27Å; M532-L558 HydrophobicContact SD-CD2 4.4Å; L544-L558 HydrophobicContact CD1-CD1 4.38Å; L544-L558 HydrophobicContact CD2-CD1 3.9Å; L544-L558 HydrophobicContact CG-CD1 4.35Å; E554-L558 WeakPolarHBondContact O-CB 3.36Å; E554-L558 WeakPolarHBondContact O-CG 3.3Å; E554-L558 PolarHBondContact O-N 3.31Å; I555-L558 PolarHBondContact O-N 2.73Å; E556-L558 VanDerWaalsContact C-N 3.29Å; E556-L558 PolarHBondContact O-N 3.28Å; L558-E560 VanDerWaalsContact C-N 3.28Å; L558-E560 PolarHBondContact O-N 2.85Å; L558-M561 HydrophobicContact CD2-SD 4.41Å; L558-M561 WeakPolarHBondContact O-CB 2.96Å; L558-M561 PolarHBondContact O-N 2.93Å
559	Y	96.6	Very high	94.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-29.5	173.6	-74.6	-72.7	0	0	0	112	R247 M248 K253 V255 R296 M532 I555 E556 M561 L562	R247-Y559 WeakPolarHBondContact CD-O 3.29Å; M248-Y559 HydrophobicContact CB-CD1 4.32Å; M248-Y559 HydrophobicContact CB-CE1 4.32Å; M248-Y559 HydrophobicContact CE-CD2 3.38Å; M248-Y559 HydrophobicContact CE-CE2 3.56Å; M248-Y559 HydrophobicContact CE-CG 4.29Å; M248-Y559 HydrophobicContact CG-CD1 3.68Å; M248-Y559 HydrophobicContact CG-CD2 3.42Å; M248-Y559 VanDerWaalsContact CG-CD2 3.42Å; M248-Y559 HydrophobicContact CG-CE1 3.79Å; M248-Y559 HydrophobicContact CG-CE2 3.52Å; M248-Y559 HydrophobicContact CG-CG 3.52Å; M248-Y559 HydrophobicContact SD-CD2 4.25Å; M248-Y559 HydrophobicContact SD-CE2 4.28Å; K253-Y559 HydrophobicContact CB-CE1 4.21Å; K253-Y559 PolarHBondContact O-OH 3.04Å; V255-Y559 HydrophobicContact CB-CE2 3.68Å; V255-Y559 WeakPolarHBondContact CB-OH 3.4Å; V255-Y559 HydrophobicContact CG1-CE2 4.42Å; V255-Y559 HydrophobicContact CG2-CE2 4.24Å; V255-Y559 PolarHBondContact N-OH 3.13Å; V255-Y559 PolarHBondContact O-OH 3.36Å; R296-Y559 WeakPolarHBondContact CD-OH 3.32Å; M532-Y559 HydrophobicContact CE-CD1 4.21Å; M532-Y559 HydrophobicContact CE-CE1 4.39Å; I555-Y559 HydrophobicContact CG2-CD2 3.96Å; I555-Y559 HydrophobicContact CG2-CE2 3.87Å; I555-Y559 WeakPolarHBondContact O-CD2 3.39Å; I555-Y559 PolarHBondContact O-N 2.76Å; E556-Y559 PolarHBondContact O-N 3.28Å; E556-Y559 VanDerWaalsContact O-N 3.16Å; Y559-M561 PolarHBondContact O-N 2.92Å; Y559-L562 HydrophobicContact CD1-CD1 3.97Å; Y559-L562 WeakPolarHBondContact O-CB 3.22Å; Y559-L562 PolarHBondContact O-N 3.39Å
560	E	94.1	Very high	94.9	Very high	73 Å²	73	39.8 Å²	39.8	34%	0.341	19%	0.192	S	C	.	.	H	α-helix	trans	-68.9	-18.8	176.4	-76.5	-138.2	105.3	0	0	114.5	K243 R247 E556 L557 L558 L562	K243-E560 IonicContact NZ-OE1 3.38Å; K243-E560 PolarHBondContact NZ-OE1 3.5Å; R247-E560 VanDerWaalsContact NH1-CA 3.29Å; R247-E560 PolarHBondContact NH1-O 3.19Å; R247-E560 IonicContact NH1-OE1 3.56Å; R247-E560 PolarHBondContact NH1-OE1 2.69Å; R247-E560 PolarHBondContact NH2-O 3.35Å; E556-E560 HydrophobicContact CG-CG 4.18Å; E556-E560 WeakPolarHBondContact O-CB 3.36Å; E556-E560 WeakPolarHBondContact O-CG 3.46Å; E556-E560 PolarHBondContact O-N 3.33Å; L557-E560 PolarHBondContact O-N 2.98Å; L558-E560 VanDerWaalsContact C-N 3.28Å; L558-E560 PolarHBondContact O-N 2.85Å; E560-L562 PolarHBondContact O-N 3.1Å
561	M	94.4	Very high	95.5	Very high	24 Å²	24	39.9 Å²	39.9	12%	0.118	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.5	172.9	-70.5	175.9	-176.4	0	0	113.5	T525 F528 K529 H533 L557 L558 Y559	T525-M561 HydrophobicContact CG2-CE 3.92Å; F528-M561 HydrophobicContact CB-CE 4.39Å; F528-M561 HydrophobicContact CB-SD 4.11Å; K529-M561 VanDerWaalsContact CA-SD 3.59Å; K529-M561 HydrophobicContact CB-CB 4.34Å; K529-M561 HydrophobicContact CB-CG 4.28Å; K529-M561 HydrophobicContact CB-SD 3.79Å; K529-M561 HydrophobicContact CG-CB 4.23Å; K529-M561 PolarHBondContact N-SD 3.41Å; K529-M561 VanDerWaalsContact N-SD 3.36Å; H533-M561 PolarHBondContact CE1-O 3.03Å; L557-M561 HydrophobicContact CD1-CE 4Å; L557-M561 HydrophobicContact CD2-CE 4.41Å; L557-M561 HydrophobicContact CG-CE 3.94Å; L557-M561 WeakPolarHBondContact O-CG 3.46Å; L557-M561 PolarHBondContact O-N 2.72Å; L558-M561 HydrophobicContact CD2-SD 4.41Å; L558-M561 WeakPolarHBondContact O-CB 2.96Å; L558-M561 PolarHBondContact O-N 2.93Å; Y559-M561 PolarHBondContact O-N 2.92Å
562	L	91.7	Very high	95.6	Very high	41 Å²	41	42.1 Å²	42.1	22%	0.215	20%	0.197	C	C	.	.			trans	-75.1	0	176.1	-60.9	175.8	0	0	0	111.4	K121 R247 S251 M532 Y559 E560	K121-L562 WeakPolarHBondContact CE-O 3.34Å; K121-L562 PolarHBondContact NZ-O 2.91Å; R247-L562 VanDerWaalsContact CZ-OXT 3.24Å; R247-L562 PolarHBondContact NE-OXT 3.2Å; R247-L562 PolarHBondContact NH2-OXT 3.11Å; S251-L562 WeakPolarHBondContact OG-CD1 3.21Å; M532-L562 HydrophobicContact CB-CD2 4.01Å; M532-L562 HydrophobicContact CE-CD1 4.07Å; M532-L562 HydrophobicContact CE-CD2 4.38Å; M532-L562 HydrophobicContact CE-CG 4.18Å; M532-L562 VanDerWaalsContact O-CD2 3.27Å; M532-L562 WeakPolarHBondContact O-CD2 3Å; Y559-L562 HydrophobicContact CD1-CD1 3.97Å; Y559-L562 WeakPolarHBondContact O-CB 3.22Å; Y559-L562 PolarHBondContact O-N 3.39Å; E560-L562 PolarHBondContact O-N 3.1Å

Retrieved 562 of 562 residues in 238.3 ms (Link to these results)

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