A0A077ZA75_TRITR Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A077ZA75, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 571 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	31.6	Very low	32.6	Very low	238 Å²	238	150.2 Å²	150.2	100%	1.172	86%	0.859	S	S	*	*				0	78.6	0	-71.4	166.3	173.9	0	0	106.4
2	K	31.2	Very low	32.1	Very low	214 Å²	214	145.3 Å²	145.3	93%	0.93	84%	0.84	S	S	*	*				55.2	125.4	96.2	-70.7	-169.6	179.9	-176.7	0	111.3
3	A	35.3	Very low	32.3	Very low	102 Å²	102	147.4 Å²	147.4	84%	0.843	85%	0.846	S	S	*	*			cis	-160.9	164.1	24.6	0	0	0	0	0	112.6
4	L	28.9	Very low	32	Very low	159 Å²	159	141.4 Å²	141.4	83%	0.832	83%	0.832	S	S	*	*			trans	-94.8	164.2	171.7	-98.7	153.6	0	0	0	110.7
5	L	33.5	Very low	32	Very low	168 Å²	168	149.4 Å²	149.4	88%	0.88	84%	0.842	S	S	*	*			trans	95.4	134.4	151.6	-69.1	146.4	0	0	0	121.5
6	G	40	Very low	31.8	Very low	73 Å²	73	155.3 Å²	155.3	75%	0.753	85%	0.847	S	S	*	*			trans	164.4	90.6	159.1	0	0	0	0	0	110.1
7	C	31.4	Very low	31.8	Very low	110 Å²	110	154.8 Å²	154.8	74%	0.743	85%	0.85	S	S	*	*				76.7	111.2	78.4	-82.7	0	0	0	0	117.3
8	F	29.4	Very low	31.5	Very low	198 Å²	198	159.4 Å²	159.4	87%	0.868	85%	0.853	S	S	*	*			trans	57	114.9	133.2	-79.7	-90.2	0	0	0	124.6
9	A	27.8	Very low	31.2	Very low	87 Å²	87	158.3 Å²	158.3	72%	0.719	86%	0.857	S	S	*	*				50.9	124.6	120.3	0	0	0	0	0	123.2
10	V	36.7	Very low	30.9	Very low	148 Å²	148	156.9 Å²	156.9	90%	0.897	85%	0.854	S	S	*	*			trans	-147.8	151.3	145.1	179.9	0	0	0	0	110.4
11	L	32.6	Very low	30.7	Very low	155 Å²	155	158.8 Å²	158.8	81%	0.812	86%	0.86	S	S	*	*			trans	-82.7	154.6	-157.9	-74.5	135.2	0	0	0	117.9
12	S	26.9	Very low	30.2	Very low	91 Å²	91	155.8 Å²	155.8	64%	0.636	84%	0.843	S	S	*	*			trans	21.6	132	141.3	69.7	0	0	0	0	122.4
13	L	34.1	Very low	30.1	Very low	173 Å²	173	157 Å²	157	91%	0.906	84%	0.842	S	S	*	*				-178.4	159.8	109.4	-93.8	154.9	0	0	0	110
14	G	28.1	Very low	29.8	Very low	63 Å²	63	156.1 Å²	156.1	65%	0.649	83%	0.829	S	S	*	*			trans	-56.3	166.5	-160	0	0	0	0	0	116.2
15	W	32.9	Very low	29.7	Very low	262 Å²	262	156.7 Å²	156.7	99%	0.992	83%	0.832	S	S	*	*				-151.5	154.2	81.1	-95	47.2	0	0	0	111.8
16	R	28.5	Very low	29.5	Very low	244 Å²	244	157.4 Å²	157.4	92%	0.921	83%	0.828	S	S	*	*			trans	-72.5	133	-170	-65.3	169.5	169.6	-161.2	-2.4	113.4
17	T	31.9	Very low	28.8	Very low	146 Å²	146	161.1 Å²	161.1	90%	0.896	83%	0.831	S	S	*	*			trans	-156	123.3	139	16.5	0	0	0	0	109.4
18	R	25.6	Very low	28.7	Very low	238 Å²	238	163 Å²	163	90%	0.898	84%	0.839	S	S	*	*			trans	-78.2	129.5	-177.5	-75.5	176.1	173.8	-170	-2.7	110.5
19	C	26.5	Very low	28.5	Very low	138 Å²	138	160.6 Å²	160.6	93%	0.932	83%	0.834	S	S	*	*			trans	-144.6	89.9	150	-105.1	0	0	0	0	108.3
20	T	25.2	Very low	28.4	Very low	131 Å²	131	162.6 Å²	162.6	80%	0.804	84%	0.841	S	S	*	*			trans	-87	117.2	166.8	37.9	0	0	0	0	108.5
21	M	26.8	Very low	28	Very low	197 Å²	197	162.4 Å²	162.4	97%	0.97	84%	0.835	S	S	*	*			trans	-113.9	93.9	163.1	-134.1	-178.2	167.7	0	0	108
22	Q	21.8	Very low	27.8	Very low	175 Å²	175	166.8 Å²	166.8	82%	0.818	84%	0.841	S	S	*	*			trans	-134.7	105.5	171.2	-163.7	-179.5	12.6	0	0	105.2
23	W	28.6	Very low	27.8	Very low	239 Å²	239	172 Å²	172	91%	0.905	85%	0.853	S	S	*	*			trans	-140.2	107.6	167.9	-92.2	79.6	0	0	0	106.2
24	S	29.3	Very low	27.5	Very low	83 Å²	83	172 Å²	172	58%	0.58	85%	0.852	S	S	*	*				77.9	99.8	70.2	174.7	0	0	0	0	112.1	K26	S24-K26 PolarHBondContact O-N 3.46Å
25	L	25.1	Very low	27.5	Very low	172 Å²	172	173.4 Å²	173.4	90%	0.901	85%	0.852	S	S	*	*			trans	-53.6	119	152.2	-90.8	132.1	0	0	0	109.8
26	K	29.5	Very low	27.4	Very low	183 Å²	183	169.5 Å²	169.5	80%	0.796	85%	0.845	S	S	*	*			trans	-176.8	117.5	146	-104.9	167.3	-175.6	-176	0	111.4	S24	S24-K26 PolarHBondContact O-N 3.46Å
27	N	25.4	Very low	27.6	Very low	151 Å²	151	166.4 Å²	166.4	81%	0.807	85%	0.846	S	S	*	*			trans	37.5	111.2	142.6	-61.4	-19.5	0	0	0	119.3
28	V	29.7	Very low	27.5	Very low	150 Å²	150	167.1 Å²	167.1	91%	0.909	84%	0.844	S	S	*	*			trans	-113.2	117.1	147	175.3	0	0	0	0	108.3
29	L	26.1	Very low	27.8	Very low	147 Å²	147	160.9 Å²	160.9	77%	0.77	84%	0.837	S	S	*	*			trans	-60.5	135.9	171.1	-72	142.7	0	0	0	111
30	C	26.1	Very low	28.2	Very low	129 Å²	129	160.4 Å²	160.4	87%	0.872	84%	0.835	S	S	*	*			trans	-150.9	105.9	137.8	-154.8	0	0	0	0	109.5	R32	C30-R32 PolarHBondContact O-N 3.39Å
31	N	26.7	Very low	28.3	Very low	144 Å²	144	164 Å²	164	77%	0.77	84%	0.84	S	S	*	*			trans	-66.6	119.3	170.8	-90.8	-40.3	0	0	0	110.1
32	R	28.1	Very low	28.5	Very low	246 Å²	246	161 Å²	161	93%	0.928	83%	0.832	S	S	*	*			trans	-140.2	109.5	143.8	-89.4	-169.5	176.9	-175	-1.6	109.1	C30	C30-R32 PolarHBondContact O-N 3.39Å
33	K	26.9	Very low	28.8	Very low	202 Å²	202	158.7 Å²	158.7	88%	0.878	83%	0.83	S	S	*	*			trans	-62.4	133.2	162.5	-79.5	177.6	172.8	179.1	0	108.8
34	L	29.8	Very low	28.8	Very low	171 Å²	171	155.7 Å²	155.7	90%	0.895	83%	0.83	S	S	*	*			trans	-150.9	108.5	138.7	-106.7	147.9	0	0	0	106.8
35	S	27.5	Very low	28.7	Very low	93 Å²	93	160.4 Å²	160.4	65%	0.65	84%	0.842	S	S	*	*			trans	-55.5	160.5	164.2	41.9	0	0	0	0	111.2
36	E	30.4	Very low	28.8	Very low	181 Å²	181	161.7 Å²	161.7	85%	0.846	84%	0.841	S	S	*	*			trans	89.1	90.7	172.9	-54.9	179.4	-180	0	0	115.6
37	L	32.3	Very low	28.7	Very low	178 Å²	178	161.2 Å²	161.2	93%	0.932	85%	0.846	S	S	*	*			trans	-164.3	80.3	138.2	-99.6	155.5	0	0	0	107.8
38	N	30.2	Very low	28.9	Very low	162 Å²	162	162.9 Å²	162.9	87%	0.866	85%	0.853	S	S	*	*			trans	-77.1	118.4	163.1	-97.6	-27	0	0	0	108.1
39	S	32.8	Very low	28.9	Very low	106 Å²	106	158.3 Å²	158.3	74%	0.741	84%	0.837	S	S	*	*			trans	158.3	91.8	136	58.1	0	0	0	0	110.9
40	S	34.1	Very low	29.1	Very low	129 Å²	129	157.1 Å²	157.1	90%	0.902	84%	0.841	S	S	*	*			trans	177.6	76.8	145.8	-75.9	0	0	0	0	108.5
41	K	26.9	Very low	29.4	Very low	206 Å²	206	162.5 Å²	162.5	90%	0.896	84%	0.843	S	S	*	*			trans	-77.1	135	160.3	-87.3	178.9	172.1	177.3	0	107.4
42	V	31.3	Very low	29.7	Very low	135 Å²	135	162.8 Å²	162.8	82%	0.818	84%	0.844	S	S	*	*			trans	-174.1	106.7	131.4	158.7	0	0	0	0	108.6
43	V	28.8	Very low	29.8	Very low	126 Å²	126	159.2 Å²	159.2	76%	0.764	84%	0.842	S	S	*	*			trans	70.6	88.5	142.6	-168.3	0	0	0	0	119
44	I	27.6	Very low	29.9	Very low	176 Å²	176	157 Å²	157	90%	0.903	84%	0.839	S	S	*	*			trans	-129.1	90.2	141.8	-61.3	179	0	0	0	106.7
45	E	26.9	Very low	29.8	Very low	181 Å²	181	160.8 Å²	160.8	85%	0.846	84%	0.842	S	S	*	*			trans	-163.3	90.2	166.1	-114.6	177.6	-156.2	0	0	109.1
46	K	27.6	Very low	29.9	Very low	200 Å²	200	164.1 Å²	164.1	87%	0.87	85%	0.847	S	S	*	*			trans	162.7	105.7	152.3	-96.3	172	-179	-179.7	0	107.3
47	L	28.6	Very low	29.7	Very low	173 Å²	173	163.5 Å²	163.5	91%	0.906	85%	0.849	S	S	*	*			trans	159.3	55.4	149.4	-82.2	163.9	0	0	0	108.8
48	I	29.3	Very low	29.6	Very low	185 Å²	185	163.9 Å²	163.9	95%	0.949	85%	0.848	S	S	*	*			trans	-112.4	99.8	151.6	-62	176.2	0	0	0	104.3
49	G	29.2	Very low	29.7	Very low	55 Å²	55	160.7 Å²	160.7	57%	0.567	84%	0.844	S	S	*	*			trans	161.5	121.9	-179.5	0	0	0	0	0	110.1
50	S	30.8	Very low	29.4	Very low	122 Å²	122	163.3 Å²	163.3	85%	0.853	85%	0.845	S	S	*	*			trans	93.2	71.2	172.1	-32.1	0	0	0	0	115.9
51	R	31.6	Very low	29.6	Very low	242 Å²	242	163.4 Å²	163.4	91%	0.913	84%	0.842	S	S	*	*	S	Bend	trans	-76.8	130.4	137.3	-99.7	177.1	159	-179	-6.1	106.8
52	N	32.7	Very low	29.9	Very low	150 Å²	150	161.4 Å²	161.4	80%	0.802	83%	0.834	S	S	*	*	S	Bend	trans	72.1	95.8	175.4	-58.2	-15.5	0	0	0	116.7
53	L	31.4	Very low	29.9	Very low	170 Å²	170	164.8 Å²	164.8	89%	0.89	84%	0.838	S	S	*	*			trans	-174	156.5	133	-123.3	83.2	0	0	0	109
54	L	28.5	Very low	29.9	Very low	156 Å²	156	163.9 Å²	163.9	82%	0.817	84%	0.837	S	S	*	*			trans	90.8	65.5	178.1	-67.4	139.5	0	0	0	116.8
55	W	27.7	Very low	30.3	Very low	250 Å²	250	160.8 Å²	160.8	95%	0.947	83%	0.828	S	S	*	*			trans	-84	148.8	130.2	-95.1	86.1	0	0	0	108.9
56	Q	29.4	Very low	30.6	Very low	164 Å²	164	160.1 Å²	160.1	77%	0.766	83%	0.83	S	S	*	*			trans	87.2	138.9	171.6	-65.1	178.8	-34.5	0	0	118.7
57	L	27.3	Very low	30.8	Very low	167 Å²	167	155 Å²	155	87%	0.874	82%	0.819	S	S	*	*			trans	85.4	113.5	-178.4	-51.3	168.3	0	0	0	111.9
58	M	29.6	Very low	31	Very low	186 Å²	186	157.9 Å²	157.9	92%	0.916	82%	0.82	S	S	*	*			cis	-152.9	125.5	38.1	-63.9	-176.8	-70.3	0	0	110.5
59	A	31.4	Very low	30.9	Very low	96 Å²	96	151.9 Å²	151.9	79%	0.793	80%	0.803	S	S	*	*			trans	-107	130.8	162.5	0	0	0	0	0	107.6
60	E	27.8	Very low	31.1	Very low	160 Å²	160	161.4 Å²	161.4	75%	0.748	82%	0.822	S	S	*	*			trans	66.8	136.1	174.3	-55.8	-167.5	179.9	0	0	117
61	P	37.5	Very low	31.1	Very low	131 Å²	131	161.8 Å²	161.8	85%	0.851	82%	0.819	S	S	*	*				-143.5	154.9	89	31.1	-11.4	0	0	0	116
62	K	33.8	Very low	30.9	Very low	165 Å²	165	154.3 Å²	154.3	72%	0.717	81%	0.809	S	S	*	*			trans	-71.9	165.2	169.8	-68.1	171.6	177.5	169.9	0	112.3
63	F	31.2	Very low	30.8	Very low	205 Å²	205	152.2 Å²	152.2	90%	0.899	81%	0.807	S	S	*	*			trans	99.5	143.8	166.9	-73.3	-84.9	0	0	0	118.3
64	S	29.2	Very low	30.7	Very low	107 Å²	107	151.4 Å²	151.4	75%	0.748	80%	0.803	S	S	*	*			trans	-118.6	-175.1	-140.8	75.2	0	0	0	0	111.3
65	P	34.8	Very low	30.7	Very low	111 Å²	111	152 Å²	152	72%	0.721	81%	0.806	S	S	*	*				-103.9	158.7	-125.9	38.7	-24.3	0	0	0	113.6
66	L	32.8	Very low	30.9	Very low	167 Å²	167	145.7 Å²	145.7	87%	0.874	80%	0.797	S	S	*	*			trans	-164.7	118.6	153.3	-102.5	159.2	0	0	0	111.4
67	S	32.6	Very low	30.9	Very low	92 Å²	92	149.3 Å²	149.3	64%	0.643	80%	0.804	S	S	*	*			trans	91.7	116.1	137.6	83.9	0	0	0	0	120.9
68	Y	31.7	Very low	31	Very low	235 Å²	235	150 Å²	150	92%	0.922	80%	0.796	S	S	*	*			trans	60.4	131.8	155	-59.5	-82.8	0	0	0	119.8
69	G	29	Very low	30.9	Very low	59 Å²	59	149.5 Å²	149.5	61%	0.608	80%	0.796	S	S	*	*			cis	146.1	147.5	9.4	0	0	0	0	0	109
70	W	31.5	Very low	30.6	Very low	254 Å²	254	154.8 Å²	154.8	96%	0.962	80%	0.801	S	S	*	*			trans	85.6	121.4	178.2	-63.2	80	0	0	0	115.6
71	V	30.7	Very low	30.7	Very low	130 Å²	130	153 Å²	153	79%	0.788	81%	0.805	S	S	*	*			cis	-150.8	140.5	21.1	173.8	0	0	0	0	110.2
72	A	27.8	Very low	30.2	Very low	86 Å²	86	152 Å²	152	71%	0.711	80%	0.797	S	S	*	*			trans	-89.8	145.9	-179.2	0	0	0	0	0	114
73	S	30.2	Very low	29.8	Very low	106 Å²	106	152.6 Å²	152.6	74%	0.741	81%	0.807	S	S	*	*				161.5	140.4	116.2	52.3	0	0	0	0	113.5
74	N	29.9	Very low	29.8	Very low	153 Å²	153	149.6 Å²	149.6	82%	0.818	81%	0.805	S	S	*	*			trans	105.6	64.1	163.8	-56.6	-39.6	0	0	0	120
75	L	28.1	Very low	29.6	Very low	169 Å²	169	152.3 Å²	152.3	89%	0.885	81%	0.811	S	S	*	*			trans	-142.7	138.2	137.4	-119.1	88.8	0	0	0	104.5
76	P	32.7	Very low	29.3	Very low	117 Å²	117	151.8 Å²	151.8	76%	0.76	82%	0.816	S	S	*	*			cis	-139	150.6	23.7	36.9	-16.4	0	0	0	116.1
77	R	29.7	Very low	29.1	Very low	240 Å²	240	149.3 Å²	149.3	91%	0.906	81%	0.813	S	S	*	*			trans	-140.9	47.6	168.6	-107.9	-167.9	-168.9	-172.3	4.1	113.1
78	Y	29.4	Very low	29	Very low	181 Å²	181	153.8 Å²	153.8	71%	0.71	82%	0.823	S	S	*	*			trans	-146.9	88.7	170.5	-78.4	-83.3	0	0	0	110.5
79	L	27.5	Very low	28.8	Very low	176 Å²	176	147.9 Å²	147.9	92%	0.921	81%	0.814	S	S	*	*			trans	171	81.2	157.7	-98.8	144.8	0	0	0	108.5
80	K	25.8	Very low	28.8	Very low	206 Å²	206	151.1 Å²	151.1	90%	0.896	82%	0.822	S	S	*	*			trans	-165.7	102.1	161.6	-110.4	173.4	-174.5	-178.1	0	109.3
81	C	28.1	Very low	28.6	Very low	123 Å²	123	144.8 Å²	144.8	83%	0.831	81%	0.812	S	S	*	*			trans	165.5	100.4	147.7	-93.4	0	0	0	0	108.7
82	V	27.7	Very low	28.3	Very low	110 Å²	110	146.3 Å²	146.3	67%	0.667	82%	0.815	S	S	*	*				-178.9	94.8	123.5	176.6	0	0	0	0	106.5	W98	V82-W98 HydrophobicContact CG2-CZ3 4.43Å
83	L	25.2	Very low	28.4	Very low	178 Å²	178	151.5 Å²	151.5	93%	0.932	83%	0.827	S	S	*	*			trans	-151.8	92.2	151.2	-87.8	178.5	0	0	0	105.6
84	V	30.8	Very low	28.1	Very low	141 Å²	141	155.9 Å²	155.9	86%	0.855	83%	0.832	S	S	*	*			trans	-110.8	123.7	163.5	177.3	0	0	0	0	106.3	A86	V84-A86 PolarHBondContact O-N 3.36Å
85	N	25.3	Very low	28	Very low	164 Å²	164	155.2 Å²	155.2	88%	0.877	83%	0.829	S	S	*	*			trans	-43.6	123.3	180	-83	-31.7	0	0	0	113.1
86	A	29.3	Very low	28.1	Very low	100 Å²	100	151 Å²	151	83%	0.826	82%	0.818	S	S	*	*			trans	-131.3	93.4	157.7	0	0	0	0	0	108.2	V84 Q88	V84-A86 PolarHBondContact O-N 3.36Å; A86-Q88 PolarHBondContact O-N 3.48Å
87	S	28.5	Very low	28.1	Very low	116 Å²	116	155.4 Å²	155.4	81%	0.811	82%	0.821	S	S	*	*			trans	-73.9	101.1	163.4	49.9	0	0	0	0	109
88	Q	29.3	Very low	28.8	Very low	185 Å²	185	154.3 Å²	154.3	86%	0.864	82%	0.817	S	S	*	*				168	139.1	127	-91.4	-170.7	-8.5	0	0	110.5	A86	A86-Q88 PolarHBondContact O-N 3.48Å
89	P	29.3	Very low	29.8	Very low	111 Å²	111	148.2 Å²	148.2	72%	0.721	80%	0.796	S	S	*	*			trans	-92.6	142.6	-172.1	36.1	-30	0	0	0	110.8
90	T	28.9	Very low	31.1	Very low	127 Å²	127	143.1 Å²	143.1	78%	0.779	78%	0.776	S	S	*	*				172.6	123.3	123.2	33.7	0	0	0	0	112.1
91	T	26.2	Very low	32.5	Very low	122 Å²	122	136 Å²	136	75%	0.748	75%	0.747	S	S	*	*			trans	63.5	124.8	146.6	37.9	0	0	0	0	122.1
92	L	25.2	Very low	33.4	Very low	162 Å²	162	131.3 Å²	131.3	85%	0.848	72%	0.717	S	S	*	*			trans	78.8	91.2	149.6	-69.6	150.9	0	0	0	118
93	M	28.7	Very low	34.4	Very low	195 Å²	195	130.4 Å²	130.4	96%	0.961	70%	0.702	S	S	*	*				-168.9	124.8	115.3	-101.1	-169.1	-133.5	0	0	111.2
94	K	25.2	Very low	35.2	Very low	197 Å²	197	129.7 Å²	129.7	86%	0.857	69%	0.691	S	S	*	*			trans	-74.9	147.5	175.8	-71.3	174	173.8	176.7	0	110.3
95	N	27	Very low	35.9	Very low	140 Å²	140	126.4 Å²	126.4	75%	0.749	66%	0.664	S	S	*	*			trans	83.4	82.5	166.1	-55.4	-16.4	0	0	0	117.5
96	A	29.4	Very low	36.3	Very low	81 Å²	81	123.6 Å²	123.6	67%	0.669	66%	0.663	S	S	*	*			trans	-115.1	105.7	153.5	0	0	0	0	0	108.5	W98	A96-W98 PolarHBondContact O-N 2.97Å
97	Y	34.5	Very low	36.8	Very low	208 Å²	208	125.7 Å²	125.7	82%	0.816	65%	0.654	S	S	*	*			trans	-74.8	117.9	172.3	-78.4	-88.2	0	0	0	109.2	L99	Y97-L99 PolarHBondContact O-N 2.71Å
98	W	43.5	Very low	37	Very low	218 Å²	218	131.7 Å²	131.7	83%	0.826	66%	0.659	S	S	*	*			trans	-77.2	103.8	176.1	-67.5	90.9	0	0	0	110.1	V82 A96	V82-W98 HydrophobicContact CG2-CZ3 4.43Å; A96-W98 PolarHBondContact O-N 2.97Å
99	L	49.7	Very low	37	Very low	52 Å²	52	131.3 Å²	131.3	27%	0.272	66%	0.661	S	S	.	*			trans	-96.4	121.9	166.2	-73.1	172.1	0	0	0	109.2	Y97 F252	Y97-L99 PolarHBondContact O-N 2.71Å; L99-F252 HydrophobicContact CD1-CB 3.51Å; L99-F252 HydrophobicContact CD1-CG 4.08Å
100	S	54.8	Low	37.2	Very low	70 Å²	70	129.5 Å²	129.5	49%	0.49	66%	0.655	S	S	.	*			trans	-51.6	141.2	173.2	176.5	0	0	0	0	110.8	A102	S100-A102 PolarHBondContact O-N 2.87Å; S100-A102 PolarHBondContact OG-N 2.78Å; S100-A102 PolarHBondContact OG-O 3.41Å
101	L	56.8	Low	37.6	Very low	57 Å²	57	131.6 Å²	131.6	30%	0.298	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.9	-23	169.8	-69.5	171.1	0	0	0	111.9	S137 L140 R141	L101-S137 WeakPolarHBondContact CD2-O 3.34Å; L101-L140 HydrophobicContact CD1-CD2 4.15Å; L101-L140 HydrophobicContact CD2-CB 3.93Å; L101-R141 HydrophobicContact CD2-CB 4.37Å
102	A	46.5	Very low	38.6	Very low	23 Å²	23	132.9 Å²	132.9	19%	0.19	66%	0.655	C	S	.	*	T	Hydrogen-bonded Turn	trans	-114.7	62.4	178.3	0	0	0	0	0	110.7	S100 F104 E148	S100-A102 PolarHBondContact O-N 2.87Å; S100-A102 PolarHBondContact OG-N 2.78Å; S100-A102 PolarHBondContact OG-O 3.41Å; A102-F104 PolarHBondContact O-N 2.85Å; A102-E148 WeakPolarHBondContact CB-OE1 3.34Å
103	R	48.4	Very low	40	Very low	91 Å²	91	132.7 Å²	132.7	34%	0.343	65%	0.653	S	S	.	*			trans	-76.7	114.3	177.9	-156.4	178.9	-171.3	-175.6	3.1	109.3	Y105 R149	R103-Y105 PolarHBondContact NH1-OH 2.91Å; R103-R149 PolarHBondContact O-NH2 3.28Å
104	F	40.9	Very low	41.6	Very low	163 Å²	163	128.4 Å²	128.4	72%	0.715	64%	0.638	S	S	*	*			trans	-85.9	123.9	169.9	-87.5	-94	0	0	0	110	A102	A102-F104 PolarHBondContact O-N 2.85Å
105	Y	47.1	Very low	44.1	Very low	73 Å²	73	122 Å²	122	29%	0.286	61%	0.613	S	S	.	*			trans	-97.5	98	165.9	-73.1	-80	0	0	0	108.8	R103 F107	R103-Y105 PolarHBondContact NH1-OH 2.91Å; Y105-F107 PolarHBondContact O-N 2.85Å; Y105-F107 VanDerWaalsContact O-N 3.13Å
106	A	33.3	Very low	46.8	Very low	104 Å²	104	123.8 Å²	123.8	86%	0.86	62%	0.616	S	S	*	*			trans	-75.3	96.5	168.5	0	0	0	0	0	109
107	F	39.1	Very low	49.8	Very low	145 Å²	145	121.7 Å²	121.7	64%	0.636	59%	0.591	S	S	*	*			trans	-79.5	133.2	172.1	-101.1	-90.8	0	0	0	110.7	Y105	Y105-F107 PolarHBondContact O-N 2.85Å; Y105-F107 VanDerWaalsContact O-N 3.13Å
108	R	32.4	Very low	52.6	Low	242 Å²	242	114.6 Å²	114.6	91%	0.913	57%	0.57	S	S	*	*			trans	-50.5	138.4	175.6	-77.7	179.9	168.5	-177.5	-3.6	111.2	A110	R108-A110 PolarHBondContact O-N 3.43Å
109	I	30	Very low	55	Low	177 Å²	177	106 Å²	106	91%	0.908	54%	0.542	S	S	*	.			trans	-55.1	95.6	178	-58.1	168.8	0	0	0	109.7
110	A	34.5	Very low	57.1	Low	72 Å²	72	109.3 Å²	109.3	60%	0.595	56%	0.56	S	S	*	*			trans	-92.4	146.4	149.2	0	0	0	0	0	106.4	R108 K112	R108-A110 PolarHBondContact O-N 3.43Å; A110-K112 PolarHBondContact O-N 3.38Å
111	I	35.5	Very low	59.1	Low	171 Å²	171	112.3 Å²	112.3	88%	0.877	57%	0.566	S	S	*	*			trans	-58	92	171.2	-62	171.3	0	0	0	107	I113	I111-I113 PolarHBondContact O-N 3.47Å
112	K	48.2	Very low	61.1	Low	150 Å²	150	110 Å²	110	65%	0.652	55%	0.554	S	S	*	*			trans	-76.8	120	173.1	-90.7	-175.6	174.1	-178.5	0	105.7	A110 V114	A110-K112 PolarHBondContact O-N 3.38Å; K112-V114 VanDerWaalsContact C-N 3.31Å; K112-V114 HydrophobicContact CB-CG2 4.33Å; K112-V114 PolarHBondContact O-N 3.02Å
113	I	53.8	Low	63.5	Low	157 Å²	157	109.4 Å²	109.4	81%	0.805	55%	0.548	S	S	*	.			trans	-62.4	103.9	158	-63.7	173.3	0	0	0	105	I111 I115	I111-I113 PolarHBondContact O-N 3.47Å; I113-I115 HydrophobicContact CG2-CG1 4.48Å; I113-I115 PolarHBondContact O-N 3.36Å
114	V	63.3	Low	65.9	Low	106 Å²	106	106.8 Å²	106.8	64%	0.642	54%	0.541	S	S	*	.			trans	-82.7	107.9	175.1	-178.4	0	0	0	0	106.2	K112 E116	K112-V114 VanDerWaalsContact C-N 3.31Å; K112-V114 HydrophobicContact CB-CG2 4.33Å; K112-V114 PolarHBondContact O-N 3.02Å; V114-E116 HydrophobicContact CG1-CG 4.46Å; V114-E116 PolarHBondContact O-N 3.13Å
115	I	77	Confident	68.7	Low	63 Å²	63	99 Å²	99	32%	0.323	51%	0.507	S	S	.	.			trans	-76.3	114	167.5	-56.5	-178.5	0	0	0	106.5	I113 Y117 V290	I113-I115 HydrophobicContact CG2-CG1 4.48Å; I113-I115 PolarHBondContact O-N 3.36Å; I115-Y117 HydrophobicContact CB-CE2 3.93Å; I115-Y117 HydrophobicContact CG2-CD2 4.33Å; I115-Y117 HydrophobicContact CG2-CE1 3.97Å; I115-Y117 HydrophobicContact CG2-CE2 3.71Å; I115-Y117 WeakPolarHBondContact O-CD2 3.4Å; I115-Y117 WeakPolarHBondContact O-CE2 3.47Å; I115-V290 HydrophobicContact CD1-CG2 4.34Å
116	E	84.9	Confident	71.2	Confident	176 Å²	176	95.5 Å²	95.5	82%	0.822	49%	0.494	S	S	*	.			trans	-81.5	131.6	172.1	-66.1	-173.8	177.7	0	0	109.5	V114	V114-E116 HydrophobicContact CG1-CG 4.46Å; V114-E116 PolarHBondContact O-N 3.13Å
117	Y	91.6	Very high	74.3	Confident	38 Å²	38	90.6 Å²	90.6	15%	0.149	45%	0.453	C	S	.	.			trans	-111.7	139.5	176.3	-64.3	-84.8	0	0	0	109	I115 V119 P226 P227 D230	I115-Y117 HydrophobicContact CB-CE2 3.93Å; I115-Y117 HydrophobicContact CG2-CD2 4.33Å; I115-Y117 HydrophobicContact CG2-CE1 3.97Å; I115-Y117 HydrophobicContact CG2-CE2 3.71Å; I115-Y117 WeakPolarHBondContact O-CD2 3.4Å; I115-Y117 WeakPolarHBondContact O-CE2 3.47Å; Y117-V119 PolarHBondContact O-N 2.87Å; Y117-P226 HydrophobicContact CD2-CB 3.88Å; Y117-P226 HydrophobicContact CG-CB 3.92Å; Y117-P227 HydrophobicContact CD2-CG 4.38Å; Y117-P227 HydrophobicContact CE1-CB 4.31Å; Y117-P227 HydrophobicContact CE2-CB 4.15Å; Y117-P227 HydrophobicContact CE2-CG 3.57Å; Y117-P227 WeakPolarHBondContact OH-CB 3.3Å; Y117-D230 HydrophobicContact CD1-CB 3.58Å; Y117-D230 HydrophobicContact CE1-CB 3.87Å
118	P	93.1	Very high	77.1	Confident	58 Å²	58	83.7 Å²	83.7	38%	0.377	42%	0.423	S	S	.	.			trans	-74.2	74	178.9	31.8	-35.5	0	0	0	110.5	N120 E121 L122	P118-N120 PolarHBondContact O-N 3.42Å; P118-E121 HydrophobicContact CB-CB 4.29Å; P118-E121 HydrophobicContact CB-CG 4.29Å; P118-E121 HydrophobicContact CG-CB 4.46Å; P118-E121 PolarHBondContact O-N 3.22Å; P118-L122 PolarHBondContact O-N 3.32Å
119	V	93.8	Very high	80.3	Confident	39 Å²	39	72.2 Å²	72.2	24%	0.236	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-29.2	-173.7	170.9	0	0	0	0	113.3	Y117 E121 P151 L154 P226	Y117-V119 PolarHBondContact O-N 2.87Å; V119-E121 VanDerWaalsContact C-N 3.34Å; V119-P151 HydrophobicContact CG1-CB 3.77Å; V119-P151 HydrophobicContact CG1-CG 4.25Å; V119-P151 HydrophobicContact CG2-CG 4.31Å; V119-L154 HydrophobicContact CG1-CD1 4.09Å; V119-L154 HydrophobicContact CG1-CD2 4.23Å; V119-L154 HydrophobicContact CG1-CG 4.02Å; V119-L154 WeakPolarHBondContact O-CD2 3.45Å; V119-P226 HydrophobicContact CG2-CG 4.44Å
120	N	94.9	Very high	83.5	Confident	120 Å²	120	64.3 Å²	64.3	64%	0.642	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.7	179.9	-68.3	-34.4	0	0	0	114.1	P118 R153	P118-N120 PolarHBondContact O-N 3.42Å; N120-R153 PolarHBondContact O-NE 2.68Å; N120-R153 PolarHBondContact O-NH2 3.31Å
121	E	96	Very high	86.5	Confident	133 Å²	133	61.1 Å²	61.1	62%	0.621	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-18.9	-178.7	-63.4	172.9	-150.6	0	0	112.7	P118 V119 H233	P118-E121 HydrophobicContact CB-CB 4.29Å; P118-E121 HydrophobicContact CB-CG 4.29Å; P118-E121 HydrophobicContact CG-CB 4.46Å; P118-E121 PolarHBondContact O-N 3.22Å; V119-E121 VanDerWaalsContact C-N 3.34Å; E121-H233 PolarHBondContact O-CE1 3.04Å; E121-H233 VanDerWaalsContact O-CE1 3.22Å; E121-H233 PolarHBondContact O-ND1 3.11Å
122	L	98.1	Very high	89.4	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.042	28%	0.276	C	S	.	.	S	Bend	trans	-69.8	146.9	-179.7	-59.9	-174.6	0	0	0	112	P118 L154 P226 L229 D230 H233	P118-L122 PolarHBondContact O-N 3.32Å; L122-L154 HydrophobicContact CB-CD2 3.77Å; L122-L154 HydrophobicContact CD1-CD1 4.38Å; L122-P226 HydrophobicContact CD1-CB 3.99Å; L122-L229 HydrophobicContact CB-CB 4.36Å; L122-L229 HydrophobicContact CD1-CB 4.3Å; L122-D230 HydrophobicContact CD2-CB 3.96Å; L122-H233 HydrophobicContact CD2-CB 4.13Å
123	P	98.5	Very high	91.7	Very high	11 Å²	11	49 Å²	49	7%	0.071	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-65.1	155.1	175.8	28.7	-35.7	0	0	0	111.5	Q209 V210 L229	P123-Q209 HydrophobicContact CB-CB 3.88Å; P123-V210 HydrophobicContact CB-CG2 4.04Å; P123-V210 HydrophobicContact CG-CG2 3.76Å; P123-L229 HydrophobicContact CG-CB 4.35Å; P123-L229 VanDerWaalsContact O-CD1 3.27Å; P123-L229 WeakPolarHBondContact O-CD1 3.42Å
124	D	98.6	Very high	93.8	Very high	36 Å²	36	42 Å²	42	19%	0.193	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-79.5	159.4	169.1	72.1	1.4	0	0	0	111.9	L154 R156 G208 Q209 V210	D124-L154 CarbonylContact C-O 3.56Å; D124-L154 WeakPolarHBondContact CA-O 3.31Å; D124-R156 HydrophobicContact CB-CB 4.14Å; D124-R156 WeakPolarHBondContact OD2-CB 3.43Å; D124-R156 WeakPolarHBondContact OD2-CD 3.34Å; D124-G208 WeakPolarHBondContact OD1-CA 3.31Å; D124-Q209 PolarHBondContact O-N 2.93Å; D124-Q209 WeakPolarHBondContact OD1-CG 3.4Å; D124-Q209 PolarHBondContact OD1-N 2.85Å; D124-V210 PolarHBondContact O-N 2.93Å
125	T	98.9	Very high	95.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.8	178.9	-170.5	0	0	0	0	112.8	V127 L154 I155 R156 V210 T212 L225 L229	T125-V127 HydrophobicContact CG2-CG2 4.05Å; T125-L154 PolarHBondContact N-O 3.45Å; T125-I155 HydrophobicContact CG2-CD1 4.19Å; T125-R156 WeakPolarHBondContact O-CB 3.1Å; T125-R156 PolarHBondContact O-N 3.41Å; T125-V210 CarbonylContact C-O 3.14Å; T125-V210 VanDerWaalsContact CA-O 3.28Å; T125-V210 WeakPolarHBondContact CA-O 3.48Å; T125-V210 PolarHBondContact OG1-O 3.19Å; T125-T212 WeakPolarHBondContact OG1-CB 3.38Å; T125-T212 PolarHBondContact OG1-N 3.27Å; T125-T212 PolarHBondContact OG1-OG1 3.26Å; T125-L225 HydrophobicContact CG2-CD1 4.03Å; T125-L225 HydrophobicContact CG2-CD2 3.99Å; T125-L229 HydrophobicContact CG2-CD1 4.32Å
126	S	98.9	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.8	160.8	-68.7	0	0	0	0	108.7	E157 K207 G208 V210 T212	S126-E157 WeakPolarHBondContact CA-O 3.44Å; S126-E157 VanDerWaalsContact OG-CG 3.28Å; S126-E157 WeakPolarHBondContact OG-CG 3.4Å; S126-E157 PolarHBondContact OG-OE1 2.81Å; S126-K207 PolarHBondContact OG-N 3.34Å; S126-G208 PolarHBondContact OG-N 3.35Å; S126-V210 PolarHBondContact N-O 3.15Å; S126-T212 PolarHBondContact O-N 2.89Å
127	V	98.9	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	120.1	176.3	-176.9	0	0	0	0	109.2	T125 I129 V146 I155 E157 I158 I159 T212 L214	T125-V127 HydrophobicContact CG2-CG2 4.05Å; V127-I129 HydrophobicContact CG1-CD1 4.37Å; V127-I129 HydrophobicContact CG1-CG1 4.22Å; V127-V146 HydrophobicContact CB-CG1 4.46Å; V127-V146 HydrophobicContact CG1-CG1 4.37Å; V127-V146 HydrophobicContact CG1-CG2 4.37Å; V127-V146 HydrophobicContact CG2-CG1 4.02Å; V127-I155 HydrophobicContact CG2-CD1 3.91Å; V127-E157 PolarHBondContact N-O 3.41Å; V127-I158 HydrophobicContact CB-CG1 4.3Å; V127-I158 HydrophobicContact CB-CG2 4.48Å; V127-I158 CarbonylContact O-C 3.58Å; V127-I158 VanDerWaalsContact O-CA 3.32Å; V127-I158 WeakPolarHBondContact O-CA 3.36Å; V127-I159 PolarHBondContact O-N 3.43Å; V127-T212 CarbonylContact C-O 3.44Å; V127-T212 VanDerWaalsContact CA-O 3.24Å; V127-T212 WeakPolarHBondContact CA-O 3.42Å; V127-L214 HydrophobicContact CG1-CD1 3.82Å; V127-L214 HydrophobicContact CG1-CG 4.21Å
128	I	98.9	Very high	97.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.2	-177.7	-61	163.5	0	0	0	108.9	I159 V161 A203 A206 L211 T212 F213 L214	I128-I159 WeakPolarHBondContact CA-O 3.47Å; I128-I159 HydrophobicContact CG1-CB 4.43Å; I128-I159 HydrophobicContact CG1-CD1 4.31Å; I128-V161 HydrophobicContact CG2-CG2 4.09Å; I128-A203 HydrophobicContact CD1-CB 4.25Å; I128-A206 HydrophobicContact CD1-CB 4.4Å; I128-L211 HydrophobicContact CD1-CB 4.48Å; I128-L211 HydrophobicContact CD1-CD2 4.1Å; I128-T212 PolarHBondContact N-O 2.88Å; I128-F213 HydrophobicContact CB-CD1 3.86Å; I128-F213 HydrophobicContact CB-CE1 4.03Å; I128-F213 HydrophobicContact CD1-CD1 4.21Å; I128-F213 HydrophobicContact CD1-CE1 3.56Å; I128-F213 HydrophobicContact CD1-CZ 3.9Å; I128-F213 HydrophobicContact CG1-CE1 4.41Å; I128-F213 HydrophobicContact CG2-CD1 4.03Å; I128-F213 HydrophobicContact CG2-CE1 4.06Å; I128-L214 PolarHBondContact O-N 2.77Å
129	I	98.8	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	106.3	178.4	-60.6	165	0	0	0	108.2	V127 L139 T142 V143 I158 I159 L160 V161 L214	V127-I129 HydrophobicContact CG1-CD1 4.37Å; V127-I129 HydrophobicContact CG1-CG1 4.22Å; I129-L139 HydrophobicContact CG2-CD1 4.21Å; I129-T142 HydrophobicContact CD1-CG2 3.86Å; I129-T142 HydrophobicContact CG1-CG2 4.48Å; I129-V143 HydrophobicContact CD1-CG2 4.24Å; I129-I158 HydrophobicContact CD1-CG2 3.99Å; I129-I159 PolarHBondContact N-O 3.43Å; I129-L160 HydrophobicContact CB-CD2 3.84Å; I129-L160 HydrophobicContact CD1-CD2 3.95Å; I129-L160 HydrophobicContact CG1-CD2 4.41Å; I129-L160 HydrophobicContact CG2-CD2 4.31Å; I129-L160 CarbonylContact O-C 3.51Å; I129-L160 WeakPolarHBondContact O-CA 3.44Å; I129-V161 PolarHBondContact O-N 2.93Å; I129-L214 WeakPolarHBondContact CA-O 3.36Å; I129-L214 HydrophobicContact CG1-CB 4.11Å
130	C	98	Very high	97.6	Very high	12 Å²	12	28 Å²	28	8%	0.081	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	137.8	173.7	-59.5	0	0	0	0	109.8	V161 L195 A198 R199	C130-V161 WeakPolarHBondContact CA-O 3.31Å; C130-L195 HydrophobicContact CB-CD1 3.78Å; C130-A198 HydrophobicContact CB-CB 4.15Å; C130-A198 VanDerWaalsContact SG-C 3.59Å; C130-R199 VanDerWaalsContact SG-CG 3.56Å; C130-R199 PolarHBondContact SG-N 3.42Å
131	F	97.7	Very high	97.8	Very high	5 Å²	5	23 Å²	23	2%	0.022	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	152.4	177.2	70.4	-84.1	0	0	0	111.5	E134 L139 L160 V161 D162 D163 L170 L174 L186	F131-E134 HydrophobicContact CB-CB 4.09Å; F131-L139 HydrophobicContact CB-CD1 4.32Å; F131-L139 HydrophobicContact CD1-CD1 4.3Å; F131-L139 HydrophobicContact CD1-CD2 4.41Å; F131-L139 HydrophobicContact CD2-CD2 4.16Å; F131-L139 HydrophobicContact CE2-CD2 4.27Å; F131-L139 HydrophobicContact CG-CD1 4.31Å; F131-L139 HydrophobicContact CG-CD2 4.22Å; F131-L139 HydrophobicContact CZ-CD2 4.43Å; F131-L160 HydrophobicContact CD1-CB 4.46Å; F131-L160 HydrophobicContact CE1-CB 3.92Å; F131-V161 WeakPolarHBondContact CD1-O 3.42Å; F131-V161 PolarHBondContact N-O 2.84Å; F131-D162 HydrophobicContact CE1-CB 3.86Å; F131-D162 HydrophobicContact CE2-CB 3.9Å; F131-D162 HydrophobicContact CZ-CB 3.43Å; F131-D162 VanDerWaalsContact CZ-CB 3.43Å; F131-D163 PolarHBondContact O-N 3.18Å; F131-L170 HydrophobicContact CD2-CD1 4.16Å; F131-L170 HydrophobicContact CD2-CD2 4.39Å; F131-L170 HydrophobicContact CE2-CB 4.27Å; F131-L170 HydrophobicContact CE2-CD1 4.12Å; F131-L170 HydrophobicContact CE2-CD2 4.07Å; F131-L170 HydrophobicContact CE2-CG 4.37Å; F131-L174 HydrophobicContact CE1-CD2 4.34Å; F131-L174 HydrophobicContact CE2-CD2 3.98Å; F131-L174 HydrophobicContact CZ-CD2 3.53Å; F131-L186 HydrophobicContact CE1-CD1 3.96Å; F131-L186 HydrophobicContact CZ-CD1 3.97Å
132	H	96.6	Very high	97.9	Very high	26 Å²	26	16.7 Å²	16.7	12%	0.12	9%	0.092	C	C	.	.	S	Bend	trans	-146.3	116.4	170.7	175.6	80.8	0	0	0	107.3	E134 D163 F164 S165 Y359	H132-E134 PolarHBondContact O-N 2.63Å; H132-E134 VanDerWaalsContact O-N 3.15Å; H132-D163 HydrophobicContact CB-CB 4.3Å; H132-D163 PolarHBondContact ND1-O 2.83Å; H132-F164 PolarHBondContact CE1-O 3.18Å; H132-F164 VanDerWaalsContact CE1-O 3.25Å; H132-F164 PolarHBondContact ND1-O 2.93Å; H132-S165 WeakPolarHBondContact CA-OG 3.43Å; H132-Y359 HydrophobicContact CB-CE1 4.06Å; H132-Y359 AromaticContact CD2-CD1 3.7Å; H132-Y359 AromaticContact CD2-CE1 3.93Å
133	N	96.4	Very high	97.9	Very high	39 Å²	39	16.3 Å²	16.3	21%	0.209	9%	0.09	C	C	.	.	S	Bend	trans	54.2	31.9	179.5	-71	-10.4	0	0	0	114.6	S165 D166 R167	N133-S165 PolarHBondContact N-OG 3.05Å; N133-S165 VanDerWaalsContact OD1-CA 3.28Å; N133-S165 WeakPolarHBondContact OD1-CA 3.42Å; N133-S165 WeakPolarHBondContact OD1-CB 3.49Å; N133-D166 VanDerWaalsContact ND2-CG 3.31Å; N133-D166 PolarHBondContact ND2-OD1 2.75Å; N133-D166 PolarHBondContact ND2-OD2 3.3Å; N133-D166 PolarHBondContact OD1-N 3.46Å; N133-D166 PolarHBondContact OD1-OD1 3.35Å; N133-R167 HydrophobicContact CB-CG 4.1Å; N133-R167 PolarHBondContact OD1-N 2.77Å
134	E	97.1	Very high	97.9	Very high	10 Å²	10	16.9 Å²	16.9	5%	0.047	9%	0.092	C	C	.	.			trans	-71.4	144.4	179.3	-168.6	61.8	-91	0	0	111.7	F131 H132 W136 L139 Y169 S216 H217 R354	F131-E134 HydrophobicContact CB-CB 4.09Å; H132-E134 PolarHBondContact O-N 2.63Å; H132-E134 VanDerWaalsContact O-N 3.15Å; E134-W136 PolarHBondContact O-N 3.41Å; E134-L139 HydrophobicContact CB-CB 4.37Å; E134-L139 HydrophobicContact CG-CB 3.98Å; E134-Y169 WeakPolarHBondContact O-CE2 3.32Å; E134-Y169 PolarHBondContact O-OH 3.11Å; E134-S216 PolarHBondContact OE2-OG 2.78Å; E134-H217 IonicContact OE2-CE1 3.58Å; E134-H217 IonicContact OE2-CG 3.91Å; E134-H217 IonicContact OE2-ND1 2.86Å; E134-H217 PolarHBondContact OE2-ND1 2.94Å; E134-R354 IonicContact OE1-NH2 3.94Å; E134-R354 PolarHBondContact OE1-NH2 3.46Å; E134-R354 IonicContact OE2-CZ 2.81Å; E134-R354 IonicContact OE2-NH2 3.44Å; E134-R354 PolarHBondContact OE2-NH2 2.92Å
135	A	96.4	Very high	97.9	Very high	39 Å²	39	15.2 Å²	15.2	32%	0.322	8%	0.083	S	C	.	.			trans	-63	133	176.7	0	0	0	0	0	111.1	S137 V138 L139	A135-S137 VanDerWaalsContact C-N 3.35Å; A135-S137 PolarHBondContact O-N 2.9Å; A135-V138 HydrophobicContact CB-CB 4.27Å; A135-V138 HydrophobicContact CB-CG2 4.05Å; A135-V138 PolarHBondContact O-N 3.43Å; A135-L139 PolarHBondContact O-N 3.06Å
136	W	97.6	Very high	97.8	Very high	78 Å²	78	15.2 Å²	15.2	30%	0.295	8%	0.083	S	C	.	.	H	α-helix	trans	-48.2	-51.9	-177.1	177.2	-88.4	0	0	0	113.2	E134 V138 L140 Y169 P173 L174 Y177	E134-W136 PolarHBondContact O-N 3.41Å; W136-V138 VanDerWaalsContact C-N 3.29Å; W136-V138 PolarHBondContact O-N 3.43Å; W136-L140 HydrophobicContact CD2-CD1 4.07Å; W136-L140 HydrophobicContact CD2-CD2 4.4Å; W136-L140 HydrophobicContact CE3-CD1 4.45Å; W136-L140 HydrophobicContact CG-CD1 4.43Å; W136-L140 HydrophobicContact CZ2-CD1 4.31Å; W136-L140 HydrophobicContact CZ2-CD2 3.86Å; W136-L140 VanDerWaalsContact NE1-CD2 3.31Å; W136-L140 WeakPolarHBondContact O-CB 3.41Å; W136-L140 WeakPolarHBondContact O-CD1 2.94Å; W136-L140 PolarHBondContact O-N 3.04Å; W136-Y169 HydrophobicContact CB-CD2 4.01Å; W136-Y169 HydrophobicContact CB-CE2 4.16Å; W136-Y169 HydrophobicContact CE3-CD2 4.07Å; W136-Y169 WeakPolarHBondContact CZ3-O 3.49Å; W136-P173 HydrophobicContact CH2-CB 4.37Å; W136-P173 WeakPolarHBondContact CH2-O 3.42Å; W136-P173 HydrophobicContact CZ3-CB 4.2Å; W136-L174 HydrophobicContact CZ3-CB 3.91Å; W136-L174 HydrophobicContact CZ3-CD1 4.13Å; W136-Y177 HydrophobicContact CH2-CG 4.15Å; W136-Y177 HydrophobicContact CZ2-CD1 4.49Å; W136-Y177 HydrophobicContact CZ2-CD2 4.04Å; W136-Y177 AromaticContact CZ2-CG 3.92Å; W136-Y177 HydrophobicContact CZ2-CG 3.92Å
137	S	97.2	Very high	97.8	Very high	53 Å²	53	17.5 Å²	17.5	37%	0.371	10%	0.095	S	C	.	.	H	α-helix	trans	-63	-34.7	-177.6	55.6	0	0	0	0	113	L101 A135 R141	L101-S137 WeakPolarHBondContact CD2-O 3.34Å; A135-S137 VanDerWaalsContact C-N 3.35Å; A135-S137 PolarHBondContact O-N 2.9Å; S137-R141 VanDerWaalsContact O-CB 3.25Å; S137-R141 WeakPolarHBondContact O-CB 3.24Å; S137-R141 PolarHBondContact O-N 2.68Å
138	V	96.8	Very high	97.7	Very high	16 Å²	16	20.4 Å²	20.4	10%	0.097	11%	0.109	C	C	.	.	H	α-helix	trans	-78.5	-44.1	-176	178.9	0	0	0	0	110.9	A135 W136 R141 T142 H217 F252	A135-V138 HydrophobicContact CB-CB 4.27Å; A135-V138 HydrophobicContact CB-CG2 4.05Å; A135-V138 PolarHBondContact O-N 3.43Å; W136-V138 VanDerWaalsContact C-N 3.29Å; W136-V138 PolarHBondContact O-N 3.43Å; V138-R141 PolarHBondContact O-N 3.27Å; V138-T142 PolarHBondContact O-N 3.04Å; V138-T142 PolarHBondContact O-OG1 2.81Å; V138-T142 VanDerWaalsContact O-OG1 3.04Å; V138-H217 HydrophobicContact CG1-CB 3.32Å; V138-F252 HydrophobicContact CG2-CE1 4.14Å; V138-F252 HydrophobicContact CG2-CZ 3.76Å
139	L	98.3	Very high	97.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59	-50.5	173.2	175.9	62.1	0	0	0	110.8	I129 F131 E134 A135 R141 T142 V143 L170 L174 S216	I129-L139 HydrophobicContact CG2-CD1 4.21Å; F131-L139 HydrophobicContact CB-CD1 4.32Å; F131-L139 HydrophobicContact CD1-CD1 4.3Å; F131-L139 HydrophobicContact CD1-CD2 4.41Å; F131-L139 HydrophobicContact CD2-CD2 4.16Å; F131-L139 HydrophobicContact CE2-CD2 4.27Å; F131-L139 HydrophobicContact CG-CD1 4.31Å; F131-L139 HydrophobicContact CG-CD2 4.22Å; F131-L139 HydrophobicContact CZ-CD2 4.43Å; E134-L139 HydrophobicContact CB-CB 4.37Å; E134-L139 HydrophobicContact CG-CB 3.98Å; A135-L139 PolarHBondContact O-N 3.06Å; L139-R141 VanDerWaalsContact C-N 3.33Å; L139-R141 PolarHBondContact O-N 3.15Å; L139-T142 WeakPolarHBondContact O-CB 3.42Å; L139-T142 PolarHBondContact O-N 3.16Å; L139-V143 PolarHBondContact O-N 2.84Å; L139-V143 VanDerWaalsContact O-N 3.13Å; L139-L170 HydrophobicContact CD2-CD2 3.9Å; L139-L174 HydrophobicContact CD2-CD1 4.04Å; L139-L174 HydrophobicContact CD2-CD2 3.93Å; L139-S216 WeakPolarHBondContact CA-O 3.46Å
140	L	98	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62	-41.6	179.1	-92.7	62	0	0	0	111.5	L101 W136 T142 V143 H144 L174 Y177 M178	L101-L140 HydrophobicContact CD1-CD2 4.15Å; L101-L140 HydrophobicContact CD2-CB 3.93Å; W136-L140 HydrophobicContact CD2-CD1 4.07Å; W136-L140 HydrophobicContact CD2-CD2 4.4Å; W136-L140 HydrophobicContact CE3-CD1 4.45Å; W136-L140 HydrophobicContact CG-CD1 4.43Å; W136-L140 HydrophobicContact CZ2-CD1 4.31Å; W136-L140 HydrophobicContact CZ2-CD2 3.86Å; W136-L140 VanDerWaalsContact NE1-CD2 3.31Å; W136-L140 WeakPolarHBondContact O-CB 3.41Å; W136-L140 WeakPolarHBondContact O-CD1 2.94Å; W136-L140 PolarHBondContact O-N 3.04Å; L140-T142 VanDerWaalsContact C-N 3.25Å; L140-T142 PolarHBondContact O-N 2.88Å; L140-V143 PolarHBondContact O-N 3.49Å; L140-V143 VanDerWaalsContact O-N 3.13Å; L140-H144 WeakPolarHBondContact O-CB 3.37Å; L140-H144 PolarHBondContact O-CD2 2.97Å; L140-H144 PolarHBondContact O-N 3.26Å; L140-L174 HydrophobicContact CD1-CD1 3.98Å; L140-Y177 HydrophobicContact CD1-CD1 4.43Å; L140-Y177 HydrophobicContact CD1-CE1 4.46Å; L140-Y177 HydrophobicContact CD2-CD1 3.82Å; L140-Y177 HydrophobicContact CD2-CE1 3.31Å; L140-Y177 HydrophobicContact CD2-CE2 4.09Å; L140-Y177 HydrophobicContact CD2-CG 4.39Å; L140-Y177 VanDerWaalsContact CD2-CZ 3.46Å; L140-Y177 HydrophobicContact CG-CD1 4.08Å; L140-Y177 HydrophobicContact CG-CE1 3.64Å; L140-M178 HydrophobicContact CD1-CE 3.57Å; L140-M178 HydrophobicContact CG-CE 3.87Å
141	R	97.4	Very high	97.5	Very high	16 Å²	16	23.6 Å²	23.6	6%	0.06	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-37	177.8	-164.3	178.3	-58.9	122.2	1.5	112.2	L101 S137 V138 L139 S145 E219 F252	L101-R141 HydrophobicContact CD2-CB 4.37Å; S137-R141 VanDerWaalsContact O-CB 3.25Å; S137-R141 WeakPolarHBondContact O-CB 3.24Å; S137-R141 PolarHBondContact O-N 2.68Å; V138-R141 PolarHBondContact O-N 3.27Å; L139-R141 VanDerWaalsContact C-N 3.33Å; L139-R141 PolarHBondContact O-N 3.15Å; R141-S145 VanDerWaalsContact O-CB 3.29Å; R141-S145 WeakPolarHBondContact O-CB 3.27Å; R141-S145 PolarHBondContact O-N 3.29Å; R141-S145 PolarHBondContact O-OG 3.02Å; R141-E219 WeakPolarHBondContact CD-OE1 3.45Å; R141-E219 WeakPolarHBondContact CD-OE2 3.41Å; R141-E219 HydrophobicContact CG-CG 3.92Å; R141-F252 VanDerWaalsContact NH1-CD1 3.29Å
142	T	98.5	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.1	-54.3	171.6	-53	0	0	0	0	110.8	I129 V138 L139 L140 H144 S145 V146 D215 S216 H217 C218	I129-T142 HydrophobicContact CD1-CG2 3.86Å; I129-T142 HydrophobicContact CG1-CG2 4.48Å; V138-T142 PolarHBondContact O-N 3.04Å; V138-T142 PolarHBondContact O-OG1 2.81Å; V138-T142 VanDerWaalsContact O-OG1 3.04Å; L139-T142 WeakPolarHBondContact O-CB 3.42Å; L139-T142 PolarHBondContact O-N 3.16Å; L140-T142 VanDerWaalsContact C-N 3.25Å; L140-T142 PolarHBondContact O-N 2.88Å; T142-H144 PolarHBondContact O-N 2.91Å; T142-S145 PolarHBondContact O-N 3.09Å; T142-S145 PolarHBondContact O-OG 3.36Å; T142-V146 WeakPolarHBondContact O-CG2 3.42Å; T142-V146 PolarHBondContact O-N 2.9Å; T142-V146 VanDerWaalsContact O-N 3.16Å; T142-D215 WeakPolarHBondContact CG2-O 3.16Å; T142-S216 VanDerWaalsContact OG1-C 3.25Å; T142-S216 PolarHBondContact OG1-O 2.9Å; T142-S216 VanDerWaalsContact OG1-O 3.11Å; T142-H217 PolarHBondContact OG1-N 2.77Å; T142-C218 WeakPolarHBondContact CA-O 3.46Å; T142-C218 HydrophobicContact CG2-CB 4.14Å; T142-C218 PolarHBondContact OG1-N 2.83Å; T142-C218 PolarHBondContact OG1-O 2.83Å; T142-C218 VanDerWaalsContact OG1-O 3.08Å
143	V	98.4	Very high	97.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-47.2	-178.7	178.9	0	0	0	0	112.1	I129 L139 L140 S145 V146 L147 L160 M178 V184	I129-V143 HydrophobicContact CD1-CG2 4.24Å; L139-V143 PolarHBondContact O-N 2.84Å; L139-V143 VanDerWaalsContact O-N 3.13Å; L140-V143 PolarHBondContact O-N 3.49Å; L140-V143 VanDerWaalsContact O-N 3.13Å; V143-S145 PolarHBondContact O-N 3.06Å; V143-V146 PolarHBondContact O-N 3.21Å; V143-L147 HydrophobicContact CG1-CD1 3.95Å; V143-L147 HydrophobicContact CG1-CG 4.5Å; V143-L147 WeakPolarHBondContact O-CG 3.46Å; V143-L147 PolarHBondContact O-N 2.78Å; V143-L160 HydrophobicContact CG2-CD1 4.17Å; V143-L160 HydrophobicContact CG2-CD2 3.7Å; V143-M178 HydrophobicContact CG1-SD 4.25Å; V143-M178 HydrophobicContact CG2-CE 4.39Å; V143-V184 HydrophobicContact CG1-CG2 4.11Å
144	H	98.2	Very high	97.5	Very high	24 Å²	24	32.3 Å²	32.3	11%	0.111	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-43.4	177.1	-83.2	-84.4	0	0	0	111.5	L140 T142 V146 L147 E148 Y177 F181	L140-H144 WeakPolarHBondContact O-CB 3.37Å; L140-H144 PolarHBondContact O-CD2 2.97Å; L140-H144 PolarHBondContact O-N 3.26Å; T142-H144 PolarHBondContact O-N 2.91Å; H144-V146 VanDerWaalsContact C-N 3.27Å; H144-V146 PolarHBondContact O-N 3.28Å; H144-L147 PolarHBondContact O-N 3.28Å; H144-L147 VanDerWaalsContact O-N 3.16Å; H144-E148 WeakPolarHBondContact O-CB 3.13Å; H144-E148 VanDerWaalsContact O-CG 3.31Å; H144-E148 WeakPolarHBondContact O-CG 3.48Å; H144-E148 PolarHBondContact O-N 3.45Å; H144-Y177 AromaticContact NE2-CE1 3.89Å; H144-Y177 AromaticContact NE2-CZ 3.83Å; H144-Y177 PolarHBondContact NE2-OH 2.83Å; H144-F181 AromaticContact CE1-CZ 3.51Å; H144-F181 AromaticContact NE2-CZ 3.81Å
145	S	98.3	Very high	97.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-36.7	177.7	78	0	0	0	0	112.9	R141 T142 V143 R149 C220	R141-S145 VanDerWaalsContact O-CB 3.29Å; R141-S145 WeakPolarHBondContact O-CB 3.27Å; R141-S145 PolarHBondContact O-N 3.29Å; R141-S145 PolarHBondContact O-OG 3.02Å; T142-S145 PolarHBondContact O-N 3.09Å; T142-S145 PolarHBondContact O-OG 3.36Å; V143-S145 PolarHBondContact O-N 3.06Å; S145-R149 VanDerWaalsContact O-CB 3.31Å; S145-R149 WeakPolarHBondContact O-CB 3.42Å; S145-R149 PolarHBondContact O-N 3.34Å; S145-R149 VanDerWaalsContact O-N 3.15Å; S145-C220 PolarHBondContact OG-N 2.82Å
146	V	98.5	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-47.7	175.4	174.8	0	0	0	0	110.4	V127 T142 V143 H144 S150 I155 I158 L214 W224	V127-V146 HydrophobicContact CB-CG1 4.46Å; V127-V146 HydrophobicContact CG1-CG1 4.37Å; V127-V146 HydrophobicContact CG1-CG2 4.37Å; V127-V146 HydrophobicContact CG2-CG1 4.02Å; T142-V146 WeakPolarHBondContact O-CG2 3.42Å; T142-V146 PolarHBondContact O-N 2.9Å; T142-V146 VanDerWaalsContact O-N 3.16Å; V143-V146 PolarHBondContact O-N 3.21Å; H144-V146 VanDerWaalsContact C-N 3.27Å; H144-V146 PolarHBondContact O-N 3.28Å; V146-S150 WeakPolarHBondContact O-CB 3.34Å; V146-S150 PolarHBondContact O-N 3.44Å; V146-S150 PolarHBondContact O-OG 3.48Å; V146-I155 HydrophobicContact CG1-CD1 4.07Å; V146-I158 HydrophobicContact CB-CD1 4.09Å; V146-I158 HydrophobicContact CG1-CD1 3.6Å; V146-I158 HydrophobicContact CG1-CG1 4.16Å; V146-L214 HydrophobicContact CG2-CD1 3.6Å; V146-W224 HydrophobicContact CG1-CZ2 4.45Å; V146-W224 HydrophobicContact CG2-CZ2 4.36Å
147	L	97.7	Very high	97.7	Very high	47 Å²	47	33.3 Å²	33.3	25%	0.246	16%	0.161	C	C	.	.	H	α-helix	trans	-64.9	-41.1	-178.4	-71	170.9	0	0	0	112.6	V143 H144 I158 F181 V184	V143-L147 HydrophobicContact CG1-CD1 3.95Å; V143-L147 HydrophobicContact CG1-CG 4.5Å; V143-L147 WeakPolarHBondContact O-CG 3.46Å; V143-L147 PolarHBondContact O-N 2.78Å; H144-L147 PolarHBondContact O-N 3.28Å; H144-L147 VanDerWaalsContact O-N 3.16Å; L147-I158 HydrophobicContact CD2-CD1 3.59Å; L147-I158 HydrophobicContact CG-CD1 3.75Å; L147-F181 HydrophobicContact CD1-CB 4.29Å; L147-F181 HydrophobicContact CD1-CD1 3.56Å; L147-F181 HydrophobicContact CD1-CD2 4.4Å; L147-F181 HydrophobicContact CD1-CE1 3.93Å; L147-F181 HydrophobicContact CD1-CG 3.82Å; L147-V184 HydrophobicContact CD1-CG2 4.35Å
148	E	96.9	Very high	97.8	Very high	61 Å²	61	30.8 Å²	30.8	29%	0.285	14%	0.144	S	C	.	.	H	α-helix	trans	-79.6	-30.5	-175.1	-68.7	179.8	166	0	0	113.1	A102 H144	A102-E148 WeakPolarHBondContact CB-OE1 3.34Å; H144-E148 WeakPolarHBondContact O-CB 3.13Å; H144-E148 VanDerWaalsContact O-CG 3.31Å; H144-E148 WeakPolarHBondContact O-CG 3.48Å; H144-E148 PolarHBondContact O-N 3.45Å
149	R	97	Very high	97.9	Very high	39 Å²	39	30.2 Å²	30.2	15%	0.147	14%	0.14	C	C	.	.	H	α-helix	trans	-114.8	11.1	-169.8	-59.5	171.1	-178	134.8	9.1	114.6	R103 S145 C220	R103-R149 PolarHBondContact O-NH2 3.28Å; S145-R149 VanDerWaalsContact O-CB 3.31Å; S145-R149 WeakPolarHBondContact O-CB 3.42Å; S145-R149 PolarHBondContact O-N 3.34Å; S145-R149 VanDerWaalsContact O-N 3.15Å; R149-C220 WeakPolarHBondContact CD-O 3.34Å; R149-C220 PolarHBondContact NH1-O 3.27Å
150	S	97.8	Very high	97.9	Very high	7 Å²	7	30.2 Å²	30.2	5%	0.049	14%	0.14	C	C	.	.	S	Bend	trans	-113.4	135.2	173.9	-49.8	0	0	0	0	110.1	V146 P152 W224	V146-S150 WeakPolarHBondContact O-CB 3.34Å; V146-S150 PolarHBondContact O-N 3.44Å; V146-S150 PolarHBondContact O-OG 3.48Å; S150-P152 WeakPolarHBondContact O-CD 3.44Å; S150-W224 PolarHBondContact OG-NE1 2.8Å
151	P	96.8	Very high	98	Very high	34 Å²	34	30.2 Å²	30.2	22%	0.221	14%	0.14	C	C	.	.			trans	-54.5	124.5	171.9	-26.4	34.8	0	0	0	110.4	V119 R153 L154 P226	V119-P151 HydrophobicContact CG1-CB 3.77Å; V119-P151 HydrophobicContact CG1-CG 4.25Å; V119-P151 HydrophobicContact CG2-CG 4.31Å; P151-R153 PolarHBondContact O-N 3.09Å; P151-L154 HydrophobicContact CB-CD1 4.06Å; P151-L154 HydrophobicContact CB-CG 4.15Å; P151-L154 HydrophobicContact CG-CD1 3.93Å; P151-L154 PolarHBondContact O-N 3.26Å; P151-P226 HydrophobicContact CG-CG 3.99Å
152	P	96.4	Very high	98	Very high	97 Å²	97	29.9 Å²	29.9	63%	0.63	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.5	-171.6	-30.9	35.9	0	0	0	114.1	S150 L154 I155 K183	S150-P152 WeakPolarHBondContact O-CD 3.44Å; P152-L154 VanDerWaalsContact C-N 3.3Å; P152-L154 PolarHBondContact O-N 2.75Å; P152-I155 PolarHBondContact O-N 3.25Å; P152-K183 PolarHBondContact O-NZ 3.08Å
153	R	96.6	Very high	98	Very high	156 Å²	156	30.2 Å²	30.2	59%	0.589	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-33.9	177.3	175.8	172.3	165.8	80.7	-3.2	113.2	N120 P151	N120-R153 PolarHBondContact O-NE 2.68Å; N120-R153 PolarHBondContact O-NH2 3.31Å; P151-R153 PolarHBondContact O-N 3.09Å
154	L	98.4	Very high	97.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-22	-176.6	-59	179.9	0	0	0	112.5	V119 L122 D124 T125 P151 P152 R156 L225 P226 L229	V119-L154 HydrophobicContact CG1-CD1 4.09Å; V119-L154 HydrophobicContact CG1-CD2 4.23Å; V119-L154 HydrophobicContact CG1-CG 4.02Å; V119-L154 WeakPolarHBondContact O-CD2 3.45Å; L122-L154 HydrophobicContact CB-CD2 3.77Å; L122-L154 HydrophobicContact CD1-CD1 4.38Å; D124-L154 CarbonylContact C-O 3.56Å; D124-L154 WeakPolarHBondContact CA-O 3.31Å; T125-L154 PolarHBondContact N-O 3.45Å; P151-L154 HydrophobicContact CB-CD1 4.06Å; P151-L154 HydrophobicContact CB-CG 4.15Å; P151-L154 HydrophobicContact CG-CD1 3.93Å; P151-L154 PolarHBondContact O-N 3.26Å; P152-L154 VanDerWaalsContact C-N 3.3Å; P152-L154 PolarHBondContact O-N 2.75Å; L154-R156 PolarHBondContact O-N 2.78Å; L154-L225 HydrophobicContact CB-CD2 3.87Å; L154-L225 HydrophobicContact CD1-CD2 4.4Å; L154-P226 HydrophobicContact CD1-CG 4.06Å; L154-L229 HydrophobicContact CB-CD1 4.09Å; L154-L229 HydrophobicContact CD1-CD1 4.16Å; L154-L229 HydrophobicContact CD2-CD1 4.32Å; L154-L229 HydrophobicContact CG-CD1 4.41Å
155	I	98.5	Very high	97.8	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.036	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	104	176.9	-57	-59.3	0	0	0	109.4	T125 V127 V146 P152 I158 K183 L225	T125-I155 HydrophobicContact CG2-CD1 4.19Å; V127-I155 HydrophobicContact CG2-CD1 3.91Å; V146-I155 HydrophobicContact CG1-CD1 4.07Å; P152-I155 PolarHBondContact O-N 3.25Å; I155-I158 HydrophobicContact CG2-CG1 4Å; I155-K183 HydrophobicContact CB-CD 4.41Å; I155-K183 HydrophobicContact CG2-CD 4.04Å; I155-K183 PolarHBondContact O-NZ 2.76Å; I155-L225 HydrophobicContact CD1-CD2 3.65Å
156	R	98.5	Very high	97.7	Very high	136 Å²	136	39.2 Å²	39.2	51%	0.513	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-49.2	171	-177.9	52.2	169.2	166.6	-1.1	110.5	D124 T125 L154 K207	D124-R156 HydrophobicContact CB-CB 4.14Å; D124-R156 WeakPolarHBondContact OD2-CB 3.43Å; D124-R156 WeakPolarHBondContact OD2-CD 3.34Å; T125-R156 WeakPolarHBondContact O-CB 3.1Å; T125-R156 PolarHBondContact O-N 3.41Å; L154-R156 PolarHBondContact O-N 2.78Å; R156-K207 HydrophobicContact CG-CB 4.37Å
157	E	98.6	Very high	97.5	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.023	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	162.1	179	60.8	-166.5	164.7	0	0	110.7	S126 V127 I159 K183 K185 A206 K207	S126-E157 WeakPolarHBondContact CA-O 3.44Å; S126-E157 VanDerWaalsContact OG-CG 3.28Å; S126-E157 WeakPolarHBondContact OG-CG 3.4Å; S126-E157 PolarHBondContact OG-OE1 2.81Å; V127-E157 PolarHBondContact N-O 3.41Å; E157-I159 HydrophobicContact CG-CD1 4.18Å; E157-I159 HydrophobicContact CG-CG1 4.07Å; E157-K183 CarbonylContact C-O 3.58Å; E157-K183 VanDerWaalsContact CA-O 3.28Å; E157-K183 WeakPolarHBondContact CA-O 2.89Å; E157-K185 WeakPolarHBondContact OE2-CE 3.29Å; E157-K185 IonicContact OE2-NZ 3.97Å; E157-K185 PolarHBondContact OE2-NZ 2.84Å; E157-A206 WeakPolarHBondContact OE1-CA 3.07Å; E157-K207 WeakPolarHBondContact OE1-CB 3.35Å; E157-K207 PolarHBondContact OE1-N 2.87Å
158	I	98.8	Very high	97.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.2	168.5	-55.3	177.2	0	0	0	106.9	V127 I129 V146 L147 I155 L160 K183 V184 K185	V127-I158 HydrophobicContact CB-CG1 4.3Å; V127-I158 HydrophobicContact CB-CG2 4.48Å; V127-I158 CarbonylContact O-C 3.58Å; V127-I158 VanDerWaalsContact O-CA 3.32Å; V127-I158 WeakPolarHBondContact O-CA 3.36Å; I129-I158 HydrophobicContact CD1-CG2 3.99Å; V146-I158 HydrophobicContact CB-CD1 4.09Å; V146-I158 HydrophobicContact CG1-CD1 3.6Å; V146-I158 HydrophobicContact CG1-CG1 4.16Å; L147-I158 HydrophobicContact CD2-CD1 3.59Å; L147-I158 HydrophobicContact CG-CD1 3.75Å; I155-I158 HydrophobicContact CG2-CG1 4Å; I158-L160 HydrophobicContact CG2-CD2 4Å; I158-K183 PolarHBondContact N-O 3.32Å; I158-V184 HydrophobicContact CB-CG2 4.21Å; I158-V184 HydrophobicContact CD1-CG2 4.27Å; I158-V184 CarbonylContact O-C 3.57Å; I158-V184 WeakPolarHBondContact O-CA 3.1Å; I158-K185 PolarHBondContact O-N 3.26Å
159	I	98.8	Very high	97.6	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.1	-179.3	-58.2	161.8	0	0	0	108	V127 I128 I129 E157 V161 L187 V205 A206	V127-I159 PolarHBondContact O-N 3.43Å; I128-I159 WeakPolarHBondContact CA-O 3.47Å; I128-I159 HydrophobicContact CG1-CB 4.43Å; I128-I159 HydrophobicContact CG1-CD1 4.31Å; I129-I159 PolarHBondContact N-O 3.43Å; E157-I159 HydrophobicContact CG-CD1 4.18Å; E157-I159 HydrophobicContact CG-CG1 4.07Å; I159-V161 HydrophobicContact CG2-CG2 3.87Å; I159-L187 HydrophobicContact CG2-CB 4.35Å; I159-V205 HydrophobicContact CD1-CG2 4.11Å; I159-V205 HydrophobicContact CG2-CG2 4.24Å; I159-A206 HydrophobicContact CD1-CB 3.77Å
160	L	98.8	Very high	97.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114.1	171	-54.3	-174.1	0	0	0	108.2	I129 F131 V143 I158 M178 V184 K185 L186 L187	I129-L160 HydrophobicContact CB-CD2 3.84Å; I129-L160 HydrophobicContact CD1-CD2 3.95Å; I129-L160 HydrophobicContact CG1-CD2 4.41Å; I129-L160 HydrophobicContact CG2-CD2 4.31Å; I129-L160 CarbonylContact O-C 3.51Å; I129-L160 WeakPolarHBondContact O-CA 3.44Å; F131-L160 HydrophobicContact CD1-CB 4.46Å; F131-L160 HydrophobicContact CE1-CB 3.92Å; V143-L160 HydrophobicContact CG2-CD1 4.17Å; V143-L160 HydrophobicContact CG2-CD2 3.7Å; I158-L160 HydrophobicContact CG2-CD2 4Å; L160-M178 HydrophobicContact CD1-CE 4.21Å; L160-M178 HydrophobicContact CD1-CG 3.95Å; L160-M178 HydrophobicContact CD1-SD 4.01Å; L160-V184 HydrophobicContact CD1-CG1 3.81Å; L160-V184 HydrophobicContact CG-CG1 3.93Å; L160-K185 PolarHBondContact N-O 3.16Å; L160-L186 HydrophobicContact CB-CD1 3.72Å; L160-L186 WeakPolarHBondContact O-CA 3.43Å; L160-L187 PolarHBondContact O-N 3.47Å
161	V	98.6	Very high	97.6	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	108.8	178.6	-171.1	0	0	0	0	109.2	I128 I129 C130 F131 I159 D163 L187 L189 A198	I128-V161 HydrophobicContact CG2-CG2 4.09Å; I129-V161 PolarHBondContact O-N 2.93Å; C130-V161 WeakPolarHBondContact CA-O 3.31Å; F131-V161 WeakPolarHBondContact CD1-O 3.42Å; F131-V161 PolarHBondContact N-O 2.84Å; I159-V161 HydrophobicContact CG2-CG2 3.87Å; V161-D163 PolarHBondContact O-N 3.28Å; V161-L187 WeakPolarHBondContact CA-O 3.42Å; V161-L187 HydrophobicContact CG1-CD2 4.2Å; V161-L187 HydrophobicContact CG1-CG 4.46Å; V161-L187 HydrophobicContact CG2-CB 4.46Å; V161-L187 HydrophobicContact CG2-CD2 4.2Å; V161-L189 HydrophobicContact CG1-CD1 4.19Å; V161-L189 HydrophobicContact CG1-CD2 4.22Å; V161-L189 HydrophobicContact CG1-CG 4.11Å; V161-A198 HydrophobicContact CG1-CB 3.94Å
162	D	98.4	Very high	97.6	Very high	10 Å²	10	57.1 Å²	57.1	5%	0.053	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	107.5	174.2	-177.8	14.9	0	0	0	110.5	F131 F164 S165 L187 R188 L189	F131-D162 HydrophobicContact CE1-CB 3.86Å; F131-D162 HydrophobicContact CE2-CB 3.9Å; F131-D162 HydrophobicContact CZ-CB 3.43Å; F131-D162 VanDerWaalsContact CZ-CB 3.43Å; D162-F164 PolarHBondContact O-N 3.43Å; D162-F164 PolarHBondContact OD1-N 3.4Å; D162-S165 WeakPolarHBondContact OD1-CB 3.33Å; D162-S165 PolarHBondContact OD1-N 2.68Å; D162-S165 PolarHBondContact OD1-OG 3.18Å; D162-L187 PolarHBondContact N-O 2.82Å; D162-R188 VanDerWaalsContact CG-NH1 3.32Å; D162-R188 WeakPolarHBondContact OD2-CD 3.49Å; D162-R188 IonicContact OD2-CZ 3.89Å; D162-R188 IonicContact OD2-NE 3.95Å; D162-R188 IonicContact OD2-NH1 3.96Å; D162-R188 PolarHBondContact OD2-NH1 3.13Å; D162-L189 WeakPolarHBondContact O-CB 3.32Å; D162-L189 WeakPolarHBondContact O-CG 3.37Å; D162-L189 PolarHBondContact O-N 3.44Å
163	D	97.1	Very high	97.7	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	25%	0.247	C	C	.	.			trans	-80.5	57.3	174.1	-176.4	40.3	0	0	0	111.2	F131 H132 V161 L189 E193 G194 A198	F131-D163 PolarHBondContact O-N 3.18Å; H132-D163 HydrophobicContact CB-CB 4.3Å; H132-D163 PolarHBondContact ND1-O 2.83Å; V161-D163 PolarHBondContact O-N 3.28Å; D163-L189 HydrophobicContact CB-CD1 4.47Å; D163-E193 PolarHBondContact OD1-N 2.98Å; D163-G194 VanDerWaalsContact CG-N 3.3Å; D163-G194 PolarHBondContact OD1-N 3.2Å; D163-G194 WeakPolarHBondContact OD2-CA 3.46Å; D163-G194 PolarHBondContact OD2-N 3.07Å; D163-A198 HydrophobicContact CB-CB 4.17Å
164	F	96.4	Very high	97.8	Very high	109 Å²	109	48.3 Å²	48.3	48%	0.478	22%	0.219	S	C	.	.			trans	59.5	58.1	174.7	-165	-107.7	0	0	0	113.7	H132 D162 S190 K191 R192	H132-F164 PolarHBondContact CE1-O 3.18Å; H132-F164 VanDerWaalsContact CE1-O 3.25Å; H132-F164 PolarHBondContact ND1-O 2.93Å; D162-F164 PolarHBondContact O-N 3.43Å; D162-F164 PolarHBondContact OD1-N 3.4Å; F164-S190 WeakPolarHBondContact CE2-O 3.44Å; F164-K191 VanDerWaalsContact CB-C 3.4Å; F164-R192 HydrophobicContact CB-CB 4.07Å; F164-R192 VanDerWaalsContact CB-N 3.33Å; F164-R192 HydrophobicContact CD1-CB 4.2Å
165	S	96.9	Very high	97.7	Very high	11 Å²	11	52.9 Å²	52.9	8%	0.077	24%	0.241	C	C	.	.			trans	-66.9	141.5	173.9	-60.4	0	0	0	0	112.3	H132 N133 D162	H132-S165 WeakPolarHBondContact CA-OG 3.43Å; N133-S165 PolarHBondContact N-OG 3.05Å; N133-S165 VanDerWaalsContact OD1-CA 3.28Å; N133-S165 WeakPolarHBondContact OD1-CA 3.42Å; N133-S165 WeakPolarHBondContact OD1-CB 3.49Å; D162-S165 WeakPolarHBondContact OD1-CB 3.33Å; D162-S165 PolarHBondContact OD1-N 2.68Å; D162-S165 PolarHBondContact OD1-OG 3.18Å
166	D	95.2	Very high	97.6	Very high	93 Å²	93	56.6 Å²	56.6	50%	0.497	26%	0.263	S	S	.	.			trans	-98.8	-14.3	178	61.6	17.4	0	0	0	113.5	N133 E168	N133-D166 VanDerWaalsContact ND2-CG 3.31Å; N133-D166 PolarHBondContact ND2-OD1 2.75Å; N133-D166 PolarHBondContact ND2-OD2 3.3Å; N133-D166 PolarHBondContact OD1-N 3.46Å; N133-D166 PolarHBondContact OD1-OD1 3.35Å; D166-E168 PolarHBondContact O-N 3.15Å
167	R	96.3	Very high	97.6	Very high	132 Å²	132	52.6 Å²	52.6	50%	0.498	25%	0.249	S	C	.	.			trans	-69.4	122.1	179.1	-59	-67	-169.4	169.8	0.7	111.2	N133 Y169 L170	N133-R167 HydrophobicContact CB-CG 4.1Å; N133-R167 PolarHBondContact OD1-N 2.77Å; R167-Y169 VanDerWaalsContact C-N 3.28Å; R167-Y169 HydrophobicContact CB-CD1 4.06Å; R167-Y169 HydrophobicContact CB-CD2 4.5Å; R167-Y169 HydrophobicContact CB-CE1 3.63Å; R167-Y169 HydrophobicContact CB-CE2 4.12Å; R167-Y169 HydrophobicContact CB-CG 4.47Å; R167-Y169 HydrophobicContact CG-CE1 3.97Å; R167-Y169 PolarHBondContact O-N 3.14Å; R167-L170 HydrophobicContact CB-CD1 4.09Å; R167-L170 HydrophobicContact CB-CG 4.23Å; R167-L170 HydrophobicContact CG-CD1 4.47Å; R167-L170 WeakPolarHBondContact O-CB 3.28Å; R167-L170 PolarHBondContact O-N 3.34Å
168	E	97.4	Very high	97.5	Very high	125 Å²	125	52.7 Å²	52.7	58%	0.584	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-54.9	-39	-178.5	-67.3	-53.8	134.4	0	0	114	D166 L170 K171 P173	D166-E168 PolarHBondContact O-N 3.15Å; E168-L170 PolarHBondContact O-N 3.26Å; E168-L170 VanDerWaalsContact O-N 3.13Å; E168-K171 WeakPolarHBondContact O-CB 3.4Å; E168-K171 PolarHBondContact O-N 3.05Å; E168-K171 IonicContact OE1-NZ 2.66Å; E168-K171 PolarHBondContact OE1-NZ 2.96Å; E168-K171 WeakPolarHBondContact OE2-CD 3.32Å; E168-K171 IonicContact OE2-NZ 2.68Å; E168-K171 PolarHBondContact OE2-NZ 2.58Å; E168-P173 WeakPolarHBondContact O-CD 3.33Å
169	Y	97.5	Very high	97.4	Very high	81 Å²	81	59.3 Å²	59.3	32%	0.318	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-63.7	-19.5	178.1	62.4	-104.7	0	0	0	113.3	E134 W136 R167	E134-Y169 WeakPolarHBondContact O-CE2 3.32Å; E134-Y169 PolarHBondContact O-OH 3.11Å; W136-Y169 HydrophobicContact CB-CD2 4.01Å; W136-Y169 HydrophobicContact CB-CE2 4.16Å; W136-Y169 HydrophobicContact CE3-CD2 4.07Å; W136-Y169 WeakPolarHBondContact CZ3-O 3.49Å; R167-Y169 VanDerWaalsContact C-N 3.28Å; R167-Y169 HydrophobicContact CB-CD1 4.06Å; R167-Y169 HydrophobicContact CB-CD2 4.5Å; R167-Y169 HydrophobicContact CB-CE1 3.63Å; R167-Y169 HydrophobicContact CB-CE2 4.12Å; R167-Y169 HydrophobicContact CB-CG 4.47Å; R167-Y169 HydrophobicContact CG-CE1 3.97Å; R167-Y169 PolarHBondContact O-N 3.14Å
170	L	98	Very high	97.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-86.4	-6.4	176.3	-66.5	175.3	0	0	0	113	F131 L139 R167 E168 L174 R188	F131-L170 HydrophobicContact CD2-CD1 4.16Å; F131-L170 HydrophobicContact CD2-CD2 4.39Å; F131-L170 HydrophobicContact CE2-CB 4.27Å; F131-L170 HydrophobicContact CE2-CD1 4.12Å; F131-L170 HydrophobicContact CE2-CD2 4.07Å; F131-L170 HydrophobicContact CE2-CG 4.37Å; L139-L170 HydrophobicContact CD2-CD2 3.9Å; R167-L170 HydrophobicContact CB-CD1 4.09Å; R167-L170 HydrophobicContact CB-CG 4.23Å; R167-L170 HydrophobicContact CG-CD1 4.47Å; R167-L170 WeakPolarHBondContact O-CB 3.28Å; R167-L170 PolarHBondContact O-N 3.34Å; E168-L170 PolarHBondContact O-N 3.26Å; E168-L170 VanDerWaalsContact O-N 3.13Å; L170-L174 HydrophobicContact CD2-CD2 4.15Å; L170-L174 WeakPolarHBondContact O-CB 3.34Å; L170-R188 PolarHBondContact O-NH1 3.13Å; L170-R188 PolarHBondContact O-NH2 2.93Å
171	K	97.4	Very high	97.1	Very high	84 Å²	84	66.8 Å²	66.8	37%	0.365	32%	0.315	S	S	.	.	S	Bend	trans	-86.4	-121.6	-179.4	-59.7	-177.7	-174.6	166.8	0	110.7	E168 P173 L174 E175 R188	E168-K171 WeakPolarHBondContact O-CB 3.4Å; E168-K171 PolarHBondContact O-N 3.05Å; E168-K171 IonicContact OE1-NZ 2.66Å; E168-K171 PolarHBondContact OE1-NZ 2.96Å; E168-K171 WeakPolarHBondContact OE2-CD 3.32Å; E168-K171 IonicContact OE2-NZ 2.68Å; E168-K171 PolarHBondContact OE2-NZ 2.58Å; K171-P173 VanDerWaalsContact C-CD 3.44Å; K171-L174 PolarHBondContact O-N 2.77Å; K171-E175 PolarHBondContact O-N 2.9Å; K171-R188 PolarHBondContact O-NH2 3.09Å
172	E	97.4	Very high	97	Very high	143 Å²	143	70.8 Å²	70.8	67%	0.668	36%	0.355	S	S	*	.	H	α-helix	trans	-52.9	-41.9	179.5	-176.1	-179.6	-174.3	0	0	113.5	L174 E175 V176	E172-L174 VanDerWaalsContact C-N 3.3Å; E172-L174 PolarHBondContact O-N 2.94Å; E172-E175 WeakPolarHBondContact O-CB 3.43Å; E172-E175 PolarHBondContact O-N 2.89Å; E172-E175 VanDerWaalsContact O-N 3.09Å; E172-V176 HydrophobicContact CG-CG2 4.21Å; E172-V176 WeakPolarHBondContact O-CG2 3.43Å; E172-V176 PolarHBondContact O-N 3.48Å
173	P	98.1	Very high	96.9	Very high	67 Å²	67	74.1 Å²	74.1	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-59.5	-38.7	179.8	-26.2	36.6	0	0	0	113.5	W136 E168 K171 Y177	W136-P173 HydrophobicContact CH2-CB 4.37Å; W136-P173 WeakPolarHBondContact CH2-O 3.42Å; W136-P173 HydrophobicContact CZ3-CB 4.2Å; E168-P173 WeakPolarHBondContact O-CD 3.33Å; K171-P173 VanDerWaalsContact C-CD 3.44Å; P173-Y177 WeakPolarHBondContact O-CB 3.48Å; P173-Y177 PolarHBondContact O-N 3.23Å
174	L	98.2	Very high	96.9	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-67.7	-41.2	176.9	-179.7	65	0	0	0	111.1	F131 W136 L139 L140 L170 K171 E172 Y177 M178 L186	F131-L174 HydrophobicContact CE1-CD2 4.34Å; F131-L174 HydrophobicContact CE2-CD2 3.98Å; F131-L174 HydrophobicContact CZ-CD2 3.53Å; W136-L174 HydrophobicContact CZ3-CB 3.91Å; W136-L174 HydrophobicContact CZ3-CD1 4.13Å; L139-L174 HydrophobicContact CD2-CD1 4.04Å; L139-L174 HydrophobicContact CD2-CD2 3.93Å; L140-L174 HydrophobicContact CD1-CD1 3.98Å; L170-L174 HydrophobicContact CD2-CD2 4.15Å; L170-L174 WeakPolarHBondContact O-CB 3.34Å; K171-L174 PolarHBondContact O-N 2.77Å; E172-L174 VanDerWaalsContact C-N 3.3Å; E172-L174 PolarHBondContact O-N 2.94Å; L174-Y177 PolarHBondContact O-N 2.79Å; L174-M178 HydrophobicContact CD1-CE 3.6Å; L174-M178 HydrophobicContact CD1-CG 4.01Å; L174-M178 HydrophobicContact CG-CG 4.33Å; L174-M178 WeakPolarHBondContact O-CB 3.41Å; L174-M178 VanDerWaalsContact O-CG 3.23Å; L174-M178 WeakPolarHBondContact O-CG 3.22Å; L174-M178 PolarHBondContact O-N 2.88Å; L174-L186 HydrophobicContact CD2-CD1 4.21Å; L174-L186 HydrophobicContact CD2-CD2 4.39Å; L174-L186 HydrophobicContact CG-CD2 4.37Å
175	E	96.5	Very high	97	Very high	98 Å²	98	73.9 Å²	73.9	46%	0.458	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-50	177.9	-174.6	167.7	-175.2	0	0	111.2	K171 E172 Y177 M178 Q179 L186	K171-E175 PolarHBondContact O-N 2.9Å; E172-E175 WeakPolarHBondContact O-CB 3.43Å; E172-E175 PolarHBondContact O-N 2.89Å; E172-E175 VanDerWaalsContact O-N 3.09Å; E175-Y177 VanDerWaalsContact C-N 3.32Å; E175-Y177 PolarHBondContact O-N 3.04Å; E175-M178 PolarHBondContact O-N 2.72Å; E175-M178 VanDerWaalsContact O-N 3.17Å; E175-Q179 WeakPolarHBondContact O-CG 3.45Å; E175-Q179 PolarHBondContact O-N 2.83Å; E175-Q179 VanDerWaalsContact O-N 3.09Å; E175-L186 HydrophobicContact CB-CD2 3.97Å; E175-L186 HydrophobicContact CG-CD2 4.42Å
176	V	97.6	Very high	97	Very high	84 Å²	84	75.4 Å²	75.4	51%	0.509	38%	0.376	S	S	.	.	H	α-helix	trans	-57.8	-44.6	175.7	173.5	0	0	0	0	111.1	E172 M178	E172-V176 HydrophobicContact CG-CG2 4.21Å; E172-V176 WeakPolarHBondContact O-CG2 3.43Å; E172-V176 PolarHBondContact O-N 3.48Å; V176-M178 PolarHBondContact O-N 3.5Å
177	Y	97.8	Very high	97.2	Very high	52 Å²	52	73.2 Å²	73.2	20%	0.204	37%	0.365	C	S	.	.	H	α-helix	trans	-64.8	-39.2	178.4	-173.5	-90.3	0	0	0	112.2	W136 L140 H144 P173 L174 E175 Q180 F181	W136-Y177 HydrophobicContact CH2-CG 4.15Å; W136-Y177 HydrophobicContact CZ2-CD1 4.49Å; W136-Y177 HydrophobicContact CZ2-CD2 4.04Å; W136-Y177 AromaticContact CZ2-CG 3.92Å; W136-Y177 HydrophobicContact CZ2-CG 3.92Å; L140-Y177 HydrophobicContact CD1-CD1 4.43Å; L140-Y177 HydrophobicContact CD1-CE1 4.46Å; L140-Y177 HydrophobicContact CD2-CD1 3.82Å; L140-Y177 HydrophobicContact CD2-CE1 3.31Å; L140-Y177 HydrophobicContact CD2-CE2 4.09Å; L140-Y177 HydrophobicContact CD2-CG 4.39Å; L140-Y177 VanDerWaalsContact CD2-CZ 3.46Å; L140-Y177 HydrophobicContact CG-CD1 4.08Å; L140-Y177 HydrophobicContact CG-CE1 3.64Å; H144-Y177 AromaticContact NE2-CE1 3.89Å; H144-Y177 AromaticContact NE2-CZ 3.83Å; H144-Y177 PolarHBondContact NE2-OH 2.83Å; P173-Y177 WeakPolarHBondContact O-CB 3.48Å; P173-Y177 PolarHBondContact O-N 3.23Å; L174-Y177 PolarHBondContact O-N 2.79Å; E175-Y177 VanDerWaalsContact C-N 3.32Å; E175-Y177 PolarHBondContact O-N 3.04Å; Y177-Q180 VanDerWaalsContact O-CG 3.29Å; Y177-Q180 WeakPolarHBondContact O-CG 3.28Å; Y177-Q180 PolarHBondContact O-NE2 3.02Å; Y177-F181 HydrophobicContact CD1-CE2 4.25Å; Y177-F181 AromaticContact CE1-CE2 3.77Å; Y177-F181 HydrophobicContact CE1-CE2 3.77Å; Y177-F181 HydrophobicContact CE1-CZ 4.4Å
178	M	97.2	Very high	97.3	Very high	7 Å²	7	70.8 Å²	70.8	3%	0.034	36%	0.355	C	S	.	.	H	α-helix	trans	-76.7	-21.5	-176.5	-67.7	-59.5	159.2	0	0	113.7	L140 V143 L160 L174 E175 V176 Q180 F181 V184	L140-M178 HydrophobicContact CD1-CE 3.57Å; L140-M178 HydrophobicContact CG-CE 3.87Å; V143-M178 HydrophobicContact CG1-SD 4.25Å; V143-M178 HydrophobicContact CG2-CE 4.39Å; L160-M178 HydrophobicContact CD1-CE 4.21Å; L160-M178 HydrophobicContact CD1-CG 3.95Å; L160-M178 HydrophobicContact CD1-SD 4.01Å; L174-M178 HydrophobicContact CD1-CE 3.6Å; L174-M178 HydrophobicContact CD1-CG 4.01Å; L174-M178 HydrophobicContact CG-CG 4.33Å; L174-M178 WeakPolarHBondContact O-CB 3.41Å; L174-M178 VanDerWaalsContact O-CG 3.23Å; L174-M178 WeakPolarHBondContact O-CG 3.22Å; L174-M178 PolarHBondContact O-N 2.88Å; E175-M178 PolarHBondContact O-N 2.72Å; E175-M178 VanDerWaalsContact O-N 3.17Å; V176-M178 PolarHBondContact O-N 3.5Å; M178-Q180 PolarHBondContact O-N 3.11Å; M178-Q180 VanDerWaalsContact O-N 3.09Å; M178-F181 PolarHBondContact O-N 2.83Å; M178-F181 HydrophobicContact SD-CD2 4.09Å; M178-F181 HydrophobicContact SD-CE2 4.42Å; M178-V184 HydrophobicContact CB-CG1 4.1Å; M178-V184 HydrophobicContact CG-CG1 4.19Å; M178-V184 HydrophobicContact SD-CG1 3.95Å
179	Q	95.2	Very high	97.3	Very high	139 Å²	139	65.7 Å²	65.7	65%	0.65	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-25	176.4	-77.9	171.7	4.7	0	0	113.9	E175 F181	E175-Q179 WeakPolarHBondContact O-CG 3.45Å; E175-Q179 PolarHBondContact O-N 2.83Å; E175-Q179 VanDerWaalsContact O-N 3.09Å; Q179-F181 PolarHBondContact O-N 3.05Å
180	Q	95.9	Very high	97.2	Very high	121 Å²	121	67 Å²	67	57%	0.565	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.7	176.6	79.4	-169.5	-78.3	0	0	113.3	Y177 M178	Y177-Q180 VanDerWaalsContact O-CG 3.29Å; Y177-Q180 WeakPolarHBondContact O-CG 3.28Å; Y177-Q180 PolarHBondContact O-NE2 3.02Å; M178-Q180 PolarHBondContact O-N 3.11Å; M178-Q180 VanDerWaalsContact O-N 3.09Å
181	F	96.3	Very high	97	Very high	40 Å²	40	72.9 Å²	72.9	18%	0.175	38%	0.379	C	S	.	.			trans	-108.1	96.6	-178.7	-54.1	-70.4	0	0	0	110.4	H144 L147 Y177 M178 Q179 K183 V184	H144-F181 AromaticContact CE1-CZ 3.51Å; H144-F181 AromaticContact NE2-CZ 3.81Å; L147-F181 HydrophobicContact CD1-CB 4.29Å; L147-F181 HydrophobicContact CD1-CD1 3.56Å; L147-F181 HydrophobicContact CD1-CD2 4.4Å; L147-F181 HydrophobicContact CD1-CE1 3.93Å; L147-F181 HydrophobicContact CD1-CG 3.82Å; Y177-F181 HydrophobicContact CD1-CE2 4.25Å; Y177-F181 AromaticContact CE1-CE2 3.77Å; Y177-F181 HydrophobicContact CE1-CE2 3.77Å; Y177-F181 HydrophobicContact CE1-CZ 4.4Å; M178-F181 PolarHBondContact O-N 2.83Å; M178-F181 HydrophobicContact SD-CD2 4.09Å; M178-F181 HydrophobicContact SD-CE2 4.42Å; Q179-F181 PolarHBondContact O-N 3.05Å; F181-K183 PolarHBondContact O-N 2.88Å; F181-V184 HydrophobicContact CB-CB 4.04Å; F181-V184 HydrophobicContact CB-CG2 3.51Å; F181-V184 HydrophobicContact CD2-CG2 4.5Å; F181-V184 HydrophobicContact CG-CG2 4.27Å; F181-V184 PolarHBondContact O-N 3.42Å
182	G	95.5	Very high	96.8	Very high	83 Å²	83	71.9 Å²	71.9	86%	0.856	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-10.4	-175	0	0	0	0	0	116.6
183	K	96.4	Very high	96.6	Very high	81 Å²	81	65.9 Å²	65.9	35%	0.352	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.4	174.3	-64.6	-166.2	176	-159.8	0	114	P152 I155 E157 I158 F181	P152-K183 PolarHBondContact O-NZ 3.08Å; I155-K183 HydrophobicContact CB-CD 4.41Å; I155-K183 HydrophobicContact CG2-CD 4.04Å; I155-K183 PolarHBondContact O-NZ 2.76Å; E157-K183 CarbonylContact C-O 3.58Å; E157-K183 VanDerWaalsContact CA-O 3.28Å; E157-K183 WeakPolarHBondContact CA-O 2.89Å; I158-K183 PolarHBondContact N-O 3.32Å; F181-K183 PolarHBondContact O-N 2.88Å
184	V	98.2	Very high	96.3	Very high	17 Å²	17	62.8 Å²	62.8	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.9	-177.3	-176.6	0	0	0	0	109.4	V143 L147 I158 L160 M178 F181	V143-V184 HydrophobicContact CG1-CG2 4.11Å; L147-V184 HydrophobicContact CD1-CG2 4.35Å; I158-V184 HydrophobicContact CB-CG2 4.21Å; I158-V184 HydrophobicContact CD1-CG2 4.27Å; I158-V184 CarbonylContact O-C 3.57Å; I158-V184 WeakPolarHBondContact O-CA 3.1Å; L160-V184 HydrophobicContact CD1-CG1 3.81Å; L160-V184 HydrophobicContact CG-CG1 3.93Å; M178-V184 HydrophobicContact CB-CG1 4.1Å; M178-V184 HydrophobicContact CG-CG1 4.19Å; M178-V184 HydrophobicContact SD-CG1 3.95Å; F181-V184 HydrophobicContact CB-CB 4.04Å; F181-V184 HydrophobicContact CB-CG2 3.51Å; F181-V184 HydrophobicContact CD2-CG2 4.5Å; F181-V184 HydrophobicContact CG-CG2 4.27Å; F181-V184 PolarHBondContact O-N 3.42Å
185	K	97.6	Very high	96.1	Very high	94 Å²	94	64.6 Å²	64.6	41%	0.409	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.9	176.1	-66.7	178.5	-177.2	168.1	0	109.6	E157 I158 L160	E157-K185 WeakPolarHBondContact OE2-CE 3.29Å; E157-K185 IonicContact OE2-NZ 3.97Å; E157-K185 PolarHBondContact OE2-NZ 2.84Å; I158-K185 PolarHBondContact O-N 3.26Å; L160-K185 PolarHBondContact N-O 3.16Å
186	L	98	Very high	96	Very high	43 Å²	43	60 Å²	60	23%	0.225	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.1	-179.9	-171.8	54.6	0	0	0	109.4	F131 L160 L174 E175 R188	F131-L186 HydrophobicContact CE1-CD1 3.96Å; F131-L186 HydrophobicContact CZ-CD1 3.97Å; L160-L186 HydrophobicContact CB-CD1 3.72Å; L160-L186 WeakPolarHBondContact O-CA 3.43Å; L174-L186 HydrophobicContact CD2-CD1 4.21Å; L174-L186 HydrophobicContact CD2-CD2 4.39Å; L174-L186 HydrophobicContact CG-CD2 4.37Å; E175-L186 HydrophobicContact CB-CD2 3.97Å; E175-L186 HydrophobicContact CG-CD2 4.42Å; L186-R188 VanDerWaalsContact CD2-CZ 3.42Å
187	L	98.2	Very high	95.9	Very high	47 Å²	47	59.2 Å²	59.2	25%	0.246	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	114.3	177.1	177.7	63.3	0	0	0	108.9	I159 L160 V161 D162 L189 R201 V205	I159-L187 HydrophobicContact CG2-CB 4.35Å; L160-L187 PolarHBondContact O-N 3.47Å; V161-L187 WeakPolarHBondContact CA-O 3.42Å; V161-L187 HydrophobicContact CG1-CD2 4.2Å; V161-L187 HydrophobicContact CG1-CG 4.46Å; V161-L187 HydrophobicContact CG2-CB 4.46Å; V161-L187 HydrophobicContact CG2-CD2 4.2Å; D162-L187 PolarHBondContact N-O 2.82Å; L187-L189 HydrophobicContact CG-CD2 4.43Å; L187-R201 HydrophobicContact CD2-CB 4.02Å; L187-V205 HydrophobicContact CD2-CG2 4.09Å
188	R	98.1	Very high	95.8	Very high	80 Å²	80	56.8 Å²	56.8	30%	0.302	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125	178.7	-58	-61.1	-169.9	171.2	2.7	111	D162 L170 K171 L186	D162-R188 VanDerWaalsContact CG-NH1 3.32Å; D162-R188 WeakPolarHBondContact OD2-CD 3.49Å; D162-R188 IonicContact OD2-CZ 3.89Å; D162-R188 IonicContact OD2-NE 3.95Å; D162-R188 IonicContact OD2-NH1 3.96Å; D162-R188 PolarHBondContact OD2-NH1 3.13Å; L170-R188 PolarHBondContact O-NH1 3.13Å; L170-R188 PolarHBondContact O-NH2 2.93Å; K171-R188 PolarHBondContact O-NH2 3.09Å; L186-R188 VanDerWaalsContact CD2-CZ 3.42Å
189	L	97.5	Very high	95.9	Very high	19 Å²	19	56.6 Å²	56.6	10%	0.099	29%	0.29	C	S	.	.			trans	-86.1	138.4	171	-54.6	-170.5	0	0	0	110.3	V161 D162 D163 L187 K191 E193 A198 R201	V161-L189 HydrophobicContact CG1-CD1 4.19Å; V161-L189 HydrophobicContact CG1-CD2 4.22Å; V161-L189 HydrophobicContact CG1-CG 4.11Å; D162-L189 WeakPolarHBondContact O-CB 3.32Å; D162-L189 WeakPolarHBondContact O-CG 3.37Å; D162-L189 PolarHBondContact O-N 3.44Å; D163-L189 HydrophobicContact CB-CD1 4.47Å; L187-L189 HydrophobicContact CG-CD2 4.43Å; L189-K191 PolarHBondContact O-N 2.81Å; L189-E193 HydrophobicContact CD1-CB 4.21Å; L189-E193 HydrophobicContact CD1-CG 4.29Å; L189-A198 HydrophobicContact CD1-CB 4.01Å; L189-R201 HydrophobicContact CD1-CG 4.39Å; L189-R201 HydrophobicContact CD2-CB 3.98Å; L189-R201 HydrophobicContact CD2-CG 3.8Å
190	S	95.8	Very high	96	Very high	109 Å²	109	51.6 Å²	51.6	76%	0.762	27%	0.267	S	S	*	.	S	Bend	trans	-75.2	-11.1	-177.2	56.7	0	0	0	0	114.3	F164	F164-S190 WeakPolarHBondContact CE2-O 3.44Å
191	K	94.5	Very high	96.1	Very high	123 Å²	123	51.8 Å²	51.8	54%	0.535	26%	0.263	S	S	.	.	S	Bend	trans	-152.8	160.2	176.4	67	-174.4	179.9	-173.2	0	109	F164 L189 E193	F164-K191 VanDerWaalsContact CB-C 3.4Å; L189-K191 PolarHBondContact O-N 2.81Å; K191-E193 WeakPolarHBondContact CE-OE1 3.39Å; K191-E193 HydrophobicContact CG-CG 3.92Å; K191-E193 PolarHBondContact O-N 3.33Å
192	R	93	Very high	96.2	Very high	63 Å²	63	49.9 Å²	49.9	24%	0.238	25%	0.254	C	S	.	.			trans	-69.4	103.1	173.8	-169	168.8	-178.5	-95.4	-8.7	110.4	F164 K360	F164-R192 HydrophobicContact CB-CB 4.07Å; F164-R192 VanDerWaalsContact CB-N 3.33Å; F164-R192 HydrophobicContact CD1-CB 4.2Å; R192-K360 PolarHBondContact NH1-O 2.67Å
193	E	92.1	Very high	96.3	Very high	17 Å²	17	46.3 Å²	46.3	8%	0.079	22%	0.217	C	C	.	.			trans	-94.8	-21	179.2	-61.2	-159.3	155.4	0	0	112.4	D163 L189 K191 R197 R201	D163-E193 PolarHBondContact OD1-N 2.98Å; L189-E193 HydrophobicContact CD1-CB 4.21Å; L189-E193 HydrophobicContact CD1-CG 4.29Å; K191-E193 WeakPolarHBondContact CE-OE1 3.39Å; K191-E193 HydrophobicContact CG-CG 3.92Å; K191-E193 PolarHBondContact O-N 3.33Å; E193-R197 HydrophobicContact CB-CB 3.69Å; E193-R201 IonicContact OE1-CZ 3.52Å; E193-R201 IonicContact OE1-NE 3.72Å; E193-R201 IonicContact OE1-NH2 3.06Å; E193-R201 PolarHBondContact OE1-NH2 3.33Å; E193-R201 IonicContact OE2-CZ 3.19Å; E193-R201 IonicContact OE2-NE 3.49Å; E193-R201 PolarHBondContact OE2-NE 3.39Å; E193-R201 IonicContact OE2-NH2 3.82Å; E193-R201 PolarHBondContact OE2-NH2 2.62Å
194	G	92.7	Very high	96.4	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.01	23%	0.233	C	C	.	.			trans	91.6	165.6	-178.5	0	0	0	0	0	114.4	D163 I196 R197 A198	D163-G194 VanDerWaalsContact CG-N 3.3Å; D163-G194 PolarHBondContact OD1-N 3.2Å; D163-G194 WeakPolarHBondContact OD2-CA 3.46Å; D163-G194 PolarHBondContact OD2-N 3.07Å; G194-I196 VanDerWaalsContact C-N 3.34Å; G194-I196 PolarHBondContact O-N 2.91Å; G194-R197 PolarHBondContact O-N 3.17Å; G194-A198 WeakPolarHBondContact O-CB 3.29Å; G194-A198 PolarHBondContact O-N 3Å
195	L	93.9	Very high	96.4	Very high	39 Å²	39	49.1 Å²	49.1	20%	0.204	25%	0.25	C	C	.	.	H	α-helix	trans	-52.5	-48.8	-172.4	-178.7	66.7	0	0	0	112.7	C130 R197 A198 R199 I322	C130-L195 HydrophobicContact CB-CD1 3.78Å; L195-R197 PolarHBondContact O-N 3.43Å; L195-A198 PolarHBondContact O-N 3.33Å; L195-R199 HydrophobicContact CD1-CG 4.38Å; L195-R199 WeakPolarHBondContact O-CG 3.23Å; L195-R199 PolarHBondContact O-N 3.01Å; L195-I322 PolarHBondContact N-O 3.32Å
196	I	94.1	Very high	96.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-48	-173.5	-58.4	169.6	0	0	0	110.3	G194 R199 L200 Y316 F320 I322 E326	G194-I196 VanDerWaalsContact C-N 3.34Å; G194-I196 PolarHBondContact O-N 2.91Å; I196-R199 PolarHBondContact O-N 3.47Å; I196-L200 WeakPolarHBondContact O-CG 3.35Å; I196-L200 PolarHBondContact O-N 3.36Å; I196-L200 VanDerWaalsContact O-N 3.13Å; I196-Y316 HydrophobicContact CG2-CD2 4.25Å; I196-Y316 HydrophobicContact CG2-CG 4.09Å; I196-F320 HydrophobicContact CD1-CB 3.54Å; I196-F320 HydrophobicContact CD1-CD2 3.98Å; I196-F320 HydrophobicContact CD1-CG 4.27Å; I196-F320 HydrophobicContact CG2-CB 4.31Å; I196-I322 PolarHBondContact N-O 2.93Å; I196-E326 HydrophobicContact CD1-CB 3.85Å; I196-E326 HydrophobicContact CD1-CG 4.23Å; I196-E326 HydrophobicContact CG1-CB 3.91Å; I196-E326 HydrophobicContact CG1-CG 3.88Å
197	R	95	Very high	96.4	Very high	69 Å²	69	49.1 Å²	49.1	26%	0.26	25%	0.249	S	C	.	.	H	α-helix	trans	-72.1	-38.9	179.8	-69	-179.4	-177.5	164.2	1.1	111.5	E193 G194 L195 R199 L200 R201 P318	E193-R197 HydrophobicContact CB-CB 3.69Å; G194-R197 PolarHBondContact O-N 3.17Å; L195-R197 PolarHBondContact O-N 3.43Å; R197-R199 VanDerWaalsContact C-N 3.27Å; R197-R199 PolarHBondContact O-N 3.39Å; R197-L200 CarbonylContact O-C 3.52Å; R197-L200 WeakPolarHBondContact O-CA 3.42Å; R197-L200 WeakPolarHBondContact O-CB 3.37Å; R197-L200 PolarHBondContact O-N 2.72Å; R197-R201 VanDerWaalsContact O-CG 3.31Å; R197-R201 WeakPolarHBondContact O-CG 3.21Å; R197-R201 PolarHBondContact O-N 3.27Å; R197-P318 PolarHBondContact NH2-O 2.93Å
198	A	97.2	Very high	96.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-56.5	-42.2	173.3	0	0	0	0	0	111.9	C130 V161 D163 L189 G194 L195 R201 G202	C130-A198 HydrophobicContact CB-CB 4.15Å; C130-A198 VanDerWaalsContact SG-C 3.59Å; V161-A198 HydrophobicContact CG1-CB 3.94Å; D163-A198 HydrophobicContact CB-CB 4.17Å; L189-A198 HydrophobicContact CD1-CB 4.01Å; G194-A198 WeakPolarHBondContact O-CB 3.29Å; G194-A198 PolarHBondContact O-N 3Å; L195-A198 PolarHBondContact O-N 3.33Å; A198-R201 PolarHBondContact O-N 3.23Å; A198-G202 PolarHBondContact O-N 2.9Å
199	R	97.7	Very high	96.5	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-42.8	173.2	-73.7	-178.8	177.9	-178.6	-4.4	112.6	C130 L195 I196 R197 R201 G202 A203 F213 D215 G300 G301 Y316	C130-R199 VanDerWaalsContact SG-CG 3.56Å; C130-R199 PolarHBondContact SG-N 3.42Å; L195-R199 HydrophobicContact CD1-CG 4.38Å; L195-R199 WeakPolarHBondContact O-CG 3.23Å; L195-R199 PolarHBondContact O-N 3.01Å; I196-R199 PolarHBondContact O-N 3.47Å; R197-R199 VanDerWaalsContact C-N 3.27Å; R197-R199 PolarHBondContact O-N 3.39Å; R199-R201 VanDerWaalsContact C-N 3.34Å; R199-R201 PolarHBondContact O-N 2.87Å; R199-G202 PolarHBondContact O-N 3.39Å; R199-A203 WeakPolarHBondContact O-CB 3.42Å; R199-A203 PolarHBondContact O-N 2.89Å; R199-F213 HydrophobicContact CB-CD1 4.2Å; R199-F213 HydrophobicContact CB-CE1 3.8Å; R199-F213 HydrophobicContact CG-CD1 3.87Å; R199-F213 HydrophobicContact CG-CE1 4.01Å; R199-D215 IonicContact NH2-OD1 2.65Å; R199-D215 PolarHBondContact NH2-OD1 3.42Å; R199-G300 VanDerWaalsContact CZ-O 3.24Å; R199-G300 PolarHBondContact NH1-O 3.49Å; R199-G300 PolarHBondContact NH2-O 3.35Å; R199-G301 VanDerWaalsContact NH2-CA 3.29Å; R199-G301 PolarHBondContact NH2-O 2.93Å; R199-Y316 HydrophobicContact CB-CE2 4.36Å; R199-Y316 PolarHBondContact NH1-OH 3.48Å
200	L	97.4	Very high	96.5	Very high	34 Å²	34	47.5 Å²	47.5	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-40.8	174.9	-69.2	175	0	0	0	112	I196 R197 A203 A204 F310 S315 Y316 P318	I196-L200 WeakPolarHBondContact O-CG 3.35Å; I196-L200 PolarHBondContact O-N 3.36Å; I196-L200 VanDerWaalsContact O-N 3.13Å; R197-L200 CarbonylContact O-C 3.52Å; R197-L200 WeakPolarHBondContact O-CA 3.42Å; R197-L200 WeakPolarHBondContact O-CB 3.37Å; R197-L200 PolarHBondContact O-N 2.72Å; L200-A203 PolarHBondContact O-N 3.1Å; L200-A204 WeakPolarHBondContact O-CB 3.46Å; L200-A204 PolarHBondContact O-N 3.3Å; L200-F310 HydrophobicContact CD2-CE1 4.37Å; L200-F310 HydrophobicContact CD2-CZ 4.21Å; L200-S315 WeakPolarHBondContact CD2-OG 3.38Å; L200-Y316 HydrophobicContact CD2-CD2 4.39Å; L200-P318 HydrophobicContact CD1-CB 4.47Å
201	R	97.9	Very high	96.7	Very high	124 Å²	124	42.4 Å²	42.4	47%	0.468	21%	0.208	S	C	.	.	H	α-helix	trans	-64.5	-43.5	175.6	-62.3	-59.7	-175.1	178.9	6.1	111.7	L187 L189 E193 R197 A198 R199 A204 V205	L187-R201 HydrophobicContact CD2-CB 4.02Å; L189-R201 HydrophobicContact CD1-CG 4.39Å; L189-R201 HydrophobicContact CD2-CB 3.98Å; L189-R201 HydrophobicContact CD2-CG 3.8Å; E193-R201 IonicContact OE1-CZ 3.52Å; E193-R201 IonicContact OE1-NE 3.72Å; E193-R201 IonicContact OE1-NH2 3.06Å; E193-R201 PolarHBondContact OE1-NH2 3.33Å; E193-R201 IonicContact OE2-CZ 3.19Å; E193-R201 IonicContact OE2-NE 3.49Å; E193-R201 PolarHBondContact OE2-NE 3.39Å; E193-R201 IonicContact OE2-NH2 3.82Å; E193-R201 PolarHBondContact OE2-NH2 2.62Å; R197-R201 VanDerWaalsContact O-CG 3.31Å; R197-R201 WeakPolarHBondContact O-CG 3.21Å; R197-R201 PolarHBondContact O-N 3.27Å; A198-R201 PolarHBondContact O-N 3.23Å; R199-R201 VanDerWaalsContact C-N 3.34Å; R199-R201 PolarHBondContact O-N 2.87Å; R201-A204 PolarHBondContact O-N 3.48Å; R201-V205 PolarHBondContact O-N 3.12Å
202	G	98.3	Very high	96.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-45.8	174.5	0	0	0	0	0	112.4	A198 R199 A204 V205 A206	A198-G202 PolarHBondContact O-N 2.9Å; R199-G202 PolarHBondContact O-N 3.39Å; G202-A204 VanDerWaalsContact C-N 3.32Å; G202-A204 PolarHBondContact O-N 3.48Å; G202-V205 WeakPolarHBondContact O-CG2 3.44Å; G202-V205 PolarHBondContact O-N 2.96Å; G202-A206 PolarHBondContact O-N 2.78Å
203	A	98.3	Very high	97.2	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-37.7	177.9	0	0	0	0	0	112.4	I128 R199 L200 V205 A206 L211 F213 F310	I128-A203 HydrophobicContact CD1-CB 4.25Å; R199-A203 WeakPolarHBondContact O-CB 3.42Å; R199-A203 PolarHBondContact O-N 2.89Å; L200-A203 PolarHBondContact O-N 3.1Å; A203-V205 VanDerWaalsContact C-N 3.28Å; A203-V205 PolarHBondContact O-N 2.99Å; A203-A206 WeakPolarHBondContact O-CB 3.25Å; A203-A206 PolarHBondContact O-N 3.08Å; A203-L211 HydrophobicContact CB-CD1 3.77Å; A203-F213 HydrophobicContact CB-CZ 4.33Å; A203-F310 HydrophobicContact CB-CD1 4.33Å; A203-F310 HydrophobicContact CB-CE1 3.8Å
204	A	97.9	Very high	97.5	Very high	85 Å²	85	33 Å²	33	70%	0.702	17%	0.168	S	C	*	.	H	α-helix	trans	-65.8	-27.1	-179.4	0	0	0	0	0	114	L200 R201 G202	L200-A204 WeakPolarHBondContact O-CB 3.46Å; L200-A204 PolarHBondContact O-N 3.3Å; R201-A204 PolarHBondContact O-N 3.48Å; G202-A204 VanDerWaalsContact C-N 3.32Å; G202-A204 PolarHBondContact O-N 3.48Å
205	V	98.2	Very high	97.7	Very high	73 Å²	73	34.3 Å²	34.3	44%	0.442	18%	0.175	S	C	.	.	H	α-helix	trans	-100.1	-5.3	178.9	-56.9	0	0	0	0	113.3	I159 L187 R201 G202 A203	I159-V205 HydrophobicContact CD1-CG2 4.11Å; I159-V205 HydrophobicContact CG2-CG2 4.24Å; L187-V205 HydrophobicContact CD2-CG2 4.09Å; R201-V205 PolarHBondContact O-N 3.12Å; G202-V205 WeakPolarHBondContact O-CG2 3.44Å; G202-V205 PolarHBondContact O-N 2.96Å; A203-V205 VanDerWaalsContact C-N 3.28Å; A203-V205 PolarHBondContact O-N 2.99Å
206	A	98.6	Very high	97.9	Very high	9 Å²	9	32.5 Å²	32.5	7%	0.074	17%	0.166	C	C	.	.			trans	-70.7	139.5	-177.7	0	0	0	0	0	112.6	I128 E157 I159 G202 A203 L211	I128-A206 HydrophobicContact CD1-CB 4.4Å; E157-A206 WeakPolarHBondContact OE1-CA 3.07Å; I159-A206 HydrophobicContact CD1-CB 3.77Å; G202-A206 PolarHBondContact O-N 2.78Å; A203-A206 WeakPolarHBondContact O-CB 3.25Å; A203-A206 PolarHBondContact O-N 3.08Å; A206-L211 HydrophobicContact CB-CD2 3.46Å; A206-L211 VanDerWaalsContact CB-CD2 3.46Å
207	K	98.4	Very high	98	Very high	128 Å²	128	33.2 Å²	33.2	56%	0.557	17%	0.169	S	C	*	.			trans	-111.2	-13.9	-174.9	-59.3	-173.2	180	-169.8	0	114	S126 R156 E157	S126-K207 PolarHBondContact OG-N 3.34Å; R156-K207 HydrophobicContact CG-CB 4.37Å; E157-K207 WeakPolarHBondContact OE1-CB 3.35Å; E157-K207 PolarHBondContact OE1-N 2.87Å
208	G	98.5	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-66.7	159.7	178.1	0	0	0	0	0	112.6	D124 S126 R307	D124-G208 WeakPolarHBondContact OD1-CA 3.31Å; S126-G208 PolarHBondContact OG-N 3.35Å; G208-R307 PolarHBondContact O-NE 3.18Å; G208-R307 VanDerWaalsContact O-NE 3.15Å
209	Q	98.7	Very high	98.3	Very high	112 Å²	112	30.6 Å²	30.6	52%	0.523	16%	0.16	S	C	.	.	S	Bend	trans	-68.5	-39.4	171.8	-66.1	177.7	-86.8	0	0	110.9	P123 D124 R307	P123-Q209 HydrophobicContact CB-CB 3.88Å; D124-Q209 PolarHBondContact O-N 2.93Å; D124-Q209 WeakPolarHBondContact OD1-CG 3.4Å; D124-Q209 PolarHBondContact OD1-N 2.85Å; Q209-R307 VanDerWaalsContact O-CB 3.32Å; Q209-R307 WeakPolarHBondContact O-CB 3.42Å; Q209-R307 PolarHBondContact O-N 2.63Å
210	V	98.9	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147.8	175.3	175.9	0	0	0	0	110.2	P123 D124 T125 S126 L229 I232 I305	P123-V210 HydrophobicContact CB-CG2 4.04Å; P123-V210 HydrophobicContact CG-CG2 3.76Å; D124-V210 PolarHBondContact O-N 2.93Å; T125-V210 CarbonylContact C-O 3.14Å; T125-V210 VanDerWaalsContact CA-O 3.28Å; T125-V210 WeakPolarHBondContact CA-O 3.48Å; T125-V210 PolarHBondContact OG1-O 3.19Å; S126-V210 PolarHBondContact N-O 3.15Å; V210-L229 HydrophobicContact CB-CD2 4.04Å; V210-L229 HydrophobicContact CG1-CD2 3.69Å; V210-L229 HydrophobicContact CG2-CD2 4.14Å; V210-I232 HydrophobicContact CG1-CD1 3.61Å; V210-I232 HydrophobicContact CG2-CB 4.47Å; V210-I232 HydrophobicContact CG2-CD1 4.08Å; V210-I232 HydrophobicContact CG2-CG2 3.92Å; V210-I305 WeakPolarHBondContact CA-O 3.13Å; V210-I305 WeakPolarHBondContact CG1-O 3.43Å
211	L	98.9	Very high	98.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.7	165.2	-55.7	-178.6	0	0	0	108.3	I128 A203 A206 F213 S304 I305 R307 F310	I128-L211 HydrophobicContact CD1-CB 4.48Å; I128-L211 HydrophobicContact CD1-CD2 4.1Å; A203-L211 HydrophobicContact CB-CD1 3.77Å; A206-L211 HydrophobicContact CB-CD2 3.46Å; A206-L211 VanDerWaalsContact CB-CD2 3.46Å; L211-F213 HydrophobicContact CB-CE2 3.83Å; L211-F213 HydrophobicContact CB-CZ 4.22Å; L211-F213 HydrophobicContact CD1-CE2 4.23Å; L211-F213 HydrophobicContact CD1-CZ 4.05Å; L211-S304 CarbonylContact O-C 3.49Å; L211-S304 WeakPolarHBondContact O-CA 3.48Å; L211-I305 HydrophobicContact CB-CG2 4.13Å; L211-I305 PolarHBondContact N-O 3.43Å; L211-I305 PolarHBondContact O-N 2.92Å; L211-R307 HydrophobicContact CD1-CB 4.44Å; L211-R307 HydrophobicContact CD1-CG 4.14Å; L211-R307 HydrophobicContact CD2-CB 4.15Å; L211-R307 HydrophobicContact CD2-CG 3.93Å; L211-R307 HydrophobicContact CG-CB 3.92Å; L211-R307 HydrophobicContact CG-CG 3.99Å; L211-F310 HydrophobicContact CD1-CB 4.3Å; L211-F310 HydrophobicContact CD1-CD1 3.65Å; L211-F310 HydrophobicContact CD1-CE1 4.22Å; L211-F310 HydrophobicContact CD1-CG 4.13Å
212	T	98.9	Very high	98.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	109.8	173	-61.6	0	0	0	0	109.2	T125 S126 V127 I128 W224 F303 S304	T125-T212 WeakPolarHBondContact OG1-CB 3.38Å; T125-T212 PolarHBondContact OG1-N 3.27Å; T125-T212 PolarHBondContact OG1-OG1 3.26Å; S126-T212 PolarHBondContact O-N 2.89Å; V127-T212 CarbonylContact C-O 3.44Å; V127-T212 VanDerWaalsContact CA-O 3.24Å; V127-T212 WeakPolarHBondContact CA-O 3.42Å; I128-T212 PolarHBondContact N-O 2.88Å; T212-W224 HydrophobicContact CG2-CH2 3.72Å; T212-W224 HydrophobicContact CG2-CZ3 3.9Å; T212-F303 CarbonylContact C-O 3.54Å; T212-F303 WeakPolarHBondContact CA-O 3.46Å; T212-S304 WeakPolarHBondContact CB-OG 3.24Å; T212-S304 WeakPolarHBondContact CG2-OG 3.37Å; T212-S304 PolarHBondContact OG1-OG 2.93Å
213	F	98.8	Very high	97.9	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.6	177.6	-63.1	-84.9	0	0	0	110.1	I128 R199 A203 L211 L302 F303 I305 F310	I128-F213 HydrophobicContact CB-CD1 3.86Å; I128-F213 HydrophobicContact CB-CE1 4.03Å; I128-F213 HydrophobicContact CD1-CD1 4.21Å; I128-F213 HydrophobicContact CD1-CE1 3.56Å; I128-F213 HydrophobicContact CD1-CZ 3.9Å; I128-F213 HydrophobicContact CG1-CE1 4.41Å; I128-F213 HydrophobicContact CG2-CD1 4.03Å; I128-F213 HydrophobicContact CG2-CE1 4.06Å; R199-F213 HydrophobicContact CB-CD1 4.2Å; R199-F213 HydrophobicContact CB-CE1 3.8Å; R199-F213 HydrophobicContact CG-CD1 3.87Å; R199-F213 HydrophobicContact CG-CE1 4.01Å; A203-F213 HydrophobicContact CB-CZ 4.33Å; L211-F213 HydrophobicContact CB-CE2 3.83Å; L211-F213 HydrophobicContact CB-CZ 4.22Å; L211-F213 HydrophobicContact CD1-CE2 4.23Å; L211-F213 HydrophobicContact CD1-CZ 4.05Å; F213-L302 VanDerWaalsContact O-CA 3.31Å; F213-L302 WeakPolarHBondContact O-CA 3.44Å; F213-F303 HydrophobicContact CB-CD1 4.12Å; F213-F303 HydrophobicContact CB-CE1 3.91Å; F213-F303 HydrophobicContact CB-CZ 4.48Å; F213-F303 HydrophobicContact CD2-CD1 4.18Å; F213-F303 HydrophobicContact CD2-CD2 4.21Å; F213-F303 AromaticContact CD2-CE1 3.55Å; F213-F303 HydrophobicContact CD2-CE1 3.55Å; F213-F303 AromaticContact CD2-CE2 3.61Å; F213-F303 HydrophobicContact CD2-CE2 3.61Å; F213-F303 HydrophobicContact CD2-CG 4.47Å; F213-F303 AromaticContact CD2-CZ 3.23Å; F213-F303 HydrophobicContact CD2-CZ 3.23Å; F213-F303 HydrophobicContact CE2-CE1 4.33Å; F213-F303 AromaticContact CE2-CE2 3.87Å; F213-F303 HydrophobicContact CE2-CE2 3.87Å; F213-F303 AromaticContact CE2-CZ 3.6Å; F213-F303 HydrophobicContact CE2-CZ 3.6Å; F213-F303 AromaticContact CG-CE1 3.9Å; F213-F303 HydrophobicContact CG-CE1 3.9Å; F213-F303 HydrophobicContact CG-CZ 4.01Å; F213-F303 PolarHBondContact N-O 3.43Å; F213-F303 PolarHBondContact O-N 2.86Å; F213-I305 HydrophobicContact CE2-CG2 4.27Å; F213-F310 HydrophobicContact CZ-CZ 4.42Å
214	L	98.7	Very high	97.9	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.8	171.1	-64.8	177.9	0	0	0	109.7	V127 I128 I129 V146 W224 L302 V349	V127-L214 HydrophobicContact CG1-CD1 3.82Å; V127-L214 HydrophobicContact CG1-CG 4.21Å; I128-L214 PolarHBondContact O-N 2.77Å; I129-L214 WeakPolarHBondContact CA-O 3.36Å; I129-L214 HydrophobicContact CG1-CB 4.11Å; V146-L214 HydrophobicContact CG2-CD1 3.6Å; L214-W224 HydrophobicContact CD1-CH2 3.89Å; L214-W224 HydrophobicContact CD1-CZ2 4.48Å; L214-W224 HydrophobicContact CD1-CZ3 4.44Å; L214-W224 HydrophobicContact CD2-CH2 4.35Å; L214-W224 HydrophobicContact CD2-CZ3 4.13Å; L214-W224 HydrophobicContact CG-CH2 4.43Å; L214-L302 HydrophobicContact CD2-CB 4.21Å; L214-L302 HydrophobicContact CD2-CD2 3.89Å; L214-L302 HydrophobicContact CD2-CG 3.81Å; L214-V349 HydrophobicContact CD2-CG1 4.25Å
215	D	97.5	Very high	97.9	Very high	28 Å²	28	29.3 Å²	29.3	15%	0.15	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	157.4	167.7	-73.6	-3.1	0	0	0	110.4	T142 R199 H217 C218 L302 H351	T142-D215 WeakPolarHBondContact CG2-O 3.16Å; R199-D215 IonicContact NH2-OD1 2.65Å; R199-D215 PolarHBondContact NH2-OD1 3.42Å; D215-H217 PolarHBondContact O-N 3.01Å; D215-H217 IonicContact OD2-NE2 3.91Å; D215-C218 PolarHBondContact O-SG 2.91Å; D215-L302 HydrophobicContact CB-CD1 4.41Å; D215-H351 IonicContact OD2-CD2 2.67Å; D215-H351 IonicContact OD2-CE1 2.78Å; D215-H351 IonicContact OD2-NE2 3.13Å; D215-H351 PolarHBondContact OD2-NE2 3.19Å
216	S	97.7	Very high	97.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	8.8	-176.8	54.1	0	0	0	0	115.8	E134 L139 T142	E134-S216 PolarHBondContact OE2-OG 2.78Å; L139-S216 WeakPolarHBondContact CA-O 3.46Å; T142-S216 VanDerWaalsContact OG1-C 3.25Å; T142-S216 PolarHBondContact OG1-O 2.9Å; T142-S216 VanDerWaalsContact OG1-O 3.11Å
217	H	97.6	Very high	97.8	Very high	14 Å²	14	25.5 Å²	25.5	7%	0.065	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	53.8	-178.1	42.1	-89.6	0	0	0	110.7	E134 V138 T142 D215 H351 V352 R354	E134-H217 IonicContact OE2-CE1 3.58Å; E134-H217 IonicContact OE2-CG 3.91Å; E134-H217 IonicContact OE2-ND1 2.86Å; E134-H217 PolarHBondContact OE2-ND1 2.94Å; V138-H217 HydrophobicContact CG1-CB 3.32Å; T142-H217 PolarHBondContact OG1-N 2.77Å; D215-H217 PolarHBondContact O-N 3.01Å; D215-H217 IonicContact OD2-NE2 3.91Å; H217-H351 AromaticContact CD2-CD2 3.82Å; H217-H351 AromaticContact CD2-CE1 3.72Å; H217-H351 AromaticContact CD2-NE2 3.37Å; H217-H351 PolarHBondContact CD2-NE2 2.95Å; H217-H351 AromaticContact NE2-CE1 3.57Å; H217-H351 AromaticContact NE2-NE2 3.17Å; H217-H351 PolarHBondContact NE2-NE2 3.08Å; H217-H351 VanDerWaalsContact NE2-NE2 3.17Å; H217-V352 HydrophobicContact CB-CB 4.17Å; H217-V352 HydrophobicContact CB-CG2 4.25Å; H217-V352 PolarHBondContact CD2-O 2.92Å; H217-V352 PolarHBondContact O-N 3.34Å; H217-R354 PolarHBondContact ND1-NH2 2.92Å
218	C	98.5	Very high	97.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.007	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	161.3	178.3	-55.8	0	0	0	0	112.4	T142 D215 V349 G350	T142-C218 WeakPolarHBondContact CA-O 3.46Å; T142-C218 HydrophobicContact CG2-CB 4.14Å; T142-C218 PolarHBondContact OG1-N 2.83Å; T142-C218 PolarHBondContact OG1-O 2.83Å; T142-C218 VanDerWaalsContact OG1-O 3.08Å; D215-C218 PolarHBondContact O-SG 2.91Å; C218-V349 HydrophobicContact CB-CG1 3.77Å; C218-G350 CarbonylContact C-O 3.59Å; C218-G350 WeakPolarHBondContact CA-O 3.25Å; C218-G350 VanDerWaalsContact CB-O 3.28Å; C218-G350 WeakPolarHBondContact CB-O 3.38Å
219	E	98.4	Very high	97.8	Very high	13 Å²	13	19.5 Å²	19.5	6%	0.061	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	115.1	165.2	-64.3	-173.2	-129.3	0	0	109.6	R141 I247 Y254 G350	R141-E219 WeakPolarHBondContact CD-OE1 3.45Å; R141-E219 WeakPolarHBondContact CD-OE2 3.41Å; R141-E219 HydrophobicContact CG-CG 3.92Å; E219-I247 HydrophobicContact CB-CD1 3.82Å; E219-I247 HydrophobicContact CG-CD1 3.75Å; E219-Y254 HydrophobicContact CB-CE2 4.44Å; E219-G350 PolarHBondContact N-O 2.86Å; E219-G350 PolarHBondContact O-N 2.04Å
220	C	98.4	Very high	97.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	142.7	178.4	-56.8	0	0	0	0	110.6	S145 R149 W224	S145-C220 PolarHBondContact OG-N 2.82Å; R149-C220 WeakPolarHBondContact CD-O 3.34Å; R149-C220 PolarHBondContact NH1-O 3.27Å; C220-W224 HydrophobicContact CB-CD2 3.85Å; C220-W224 HydrophobicContact CB-CG 3.77Å; C220-W224 HydrophobicContact CB-CZ2 4.41Å
221	M	96.6	Very high	97.8	Very high	35 Å²	35	16.9 Å²	16.9	17%	0.172	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-90.6	168.4	173.3	-69.8	-66.1	-86.9	0	0	112.1	N223 W224 Y254 Y256 H348	M221-N223 PolarHBondContact O-N 3.34Å; M221-W224 WeakPolarHBondContact O-CB 3.49Å; M221-W224 PolarHBondContact O-N 2.84Å; M221-Y254 HydrophobicContact CE-CE1 4.33Å; M221-Y254 HydrophobicContact CG-CE1 4.16Å; M221-Y254 HydrophobicContact CG-CE2 4.11Å; M221-Y254 WeakPolarHBondContact CG-OH 3.32Å; M221-Y254 HydrophobicContact SD-CE1 4.1Å; M221-Y254 HydrophobicContact SD-CE2 3.97Å; M221-Y256 HydrophobicContact CE-CD2 4.11Å; M221-H348 HydrophobicContact CB-CB 3.97Å; M221-H348 WeakPolarHBondContact CB-O 3.27Å; M221-H348 HydrophobicContact CG-CB 3.91Å; M221-H348 PolarHBondContact N-O 2.72Å
222	E	94.2	Very high	97.7	Very high	127 Å²	127	16.9 Å²	16.9	59%	0.593	8%	0.082	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	138.6	172.1	-68.2	179.8	173.9	0	0	111	W224	E222-W224 PolarHBondContact O-N 3.26Å
223	N	94.1	Very high	97.7	Very high	66 Å²	66	21.4 Å²	21.4	35%	0.353	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	22.4	179.3	-158.1	38	0	0	0	114.6	M221 L225 P226 P227	M221-N223 PolarHBondContact O-N 3.34Å; N223-L225 VanDerWaalsContact C-N 3.35Å; N223-L225 PolarHBondContact O-N 3.35Å; N223-P226 WeakPolarHBondContact OD1-CG 3.31Å; N223-P227 WeakPolarHBondContact O-CD 3.35Å; N223-P227 VanDerWaalsContact O-CG 3.24Å; N223-P227 WeakPolarHBondContact O-CG 3.26Å
224	W	97.7	Very high	97.6	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	13%	0.129	C	C	.	.			trans	-64.8	-36.9	179.3	76.5	-72.4	0	0	0	113	V146 S150 T212 L214 C220 M221 E222 L228 S347 H348 V349	V146-W224 HydrophobicContact CG1-CZ2 4.45Å; V146-W224 HydrophobicContact CG2-CZ2 4.36Å; S150-W224 PolarHBondContact OG-NE1 2.8Å; T212-W224 HydrophobicContact CG2-CH2 3.72Å; T212-W224 HydrophobicContact CG2-CZ3 3.9Å; L214-W224 HydrophobicContact CD1-CH2 3.89Å; L214-W224 HydrophobicContact CD1-CZ2 4.48Å; L214-W224 HydrophobicContact CD1-CZ3 4.44Å; L214-W224 HydrophobicContact CD2-CH2 4.35Å; L214-W224 HydrophobicContact CD2-CZ3 4.13Å; L214-W224 HydrophobicContact CG-CH2 4.43Å; C220-W224 HydrophobicContact CB-CD2 3.85Å; C220-W224 HydrophobicContact CB-CG 3.77Å; C220-W224 HydrophobicContact CB-CZ2 4.41Å; M221-W224 WeakPolarHBondContact O-CB 3.49Å; M221-W224 PolarHBondContact O-N 2.84Å; E222-W224 PolarHBondContact O-N 3.26Å; W224-L228 HydrophobicContact CE3-CD1 3.96Å; W224-L228 HydrophobicContact CZ3-CD1 4.03Å; W224-S347 VanDerWaalsContact O-CB 3.22Å; W224-S347 WeakPolarHBondContact O-CB 3.24Å; W224-S347 PolarHBondContact O-OG 3.14Å; W224-H348 WeakPolarHBondContact CB-O 3.4Å; W224-V349 HydrophobicContact CB-CG2 4.42Å; W224-V349 HydrophobicContact CD2-CG2 4.09Å; W224-V349 HydrophobicContact CE3-CG2 3.46Å; W224-V349 VanDerWaalsContact CE3-CG2 3.46Å; W224-V349 HydrophobicContact CZ3-CG2 4.06Å
225	L	98.5	Very high	97.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-81.2	-47.9	-169.7	-176.1	63.1	0	0	0	114.3	T125 L154 I155 N223 P227 L228 L229	T125-L225 HydrophobicContact CG2-CD1 4.03Å; T125-L225 HydrophobicContact CG2-CD2 3.99Å; L154-L225 HydrophobicContact CB-CD2 3.87Å; L154-L225 HydrophobicContact CD1-CD2 4.4Å; I155-L225 HydrophobicContact CD1-CD2 3.65Å; N223-L225 VanDerWaalsContact C-N 3.35Å; N223-L225 PolarHBondContact O-N 3.35Å; L225-P227 VanDerWaalsContact C-CD 3.49Å; L225-L228 WeakPolarHBondContact O-CB 3.49Å; L225-L228 PolarHBondContact O-N 2.95Å; L225-L229 HydrophobicContact CD1-CD1 3.94Å; L225-L229 HydrophobicContact CD1-CD2 4.08Å; L225-L229 HydrophobicContact CD1-CG 3.86Å; L225-L229 HydrophobicContact CD2-CD1 4.17Å; L225-L229 HydrophobicContact CG-CD1 3.81Å; L225-L229 HydrophobicContact CG-CG 4.05Å; L225-L229 PolarHBondContact O-N 3.41Å
226	P	98.1	Very high	97.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-55.9	-41.8	-176.5	-25.6	36.4	0	0	0	115.3	Y117 V119 L122 P151 L154 N223 L228 L229 D230	Y117-P226 HydrophobicContact CD2-CB 3.88Å; Y117-P226 HydrophobicContact CG-CB 3.92Å; V119-P226 HydrophobicContact CG2-CG 4.44Å; L122-P226 HydrophobicContact CD1-CB 3.99Å; P151-P226 HydrophobicContact CG-CG 3.99Å; L154-P226 HydrophobicContact CD1-CG 4.06Å; N223-P226 WeakPolarHBondContact OD1-CG 3.31Å; P226-L228 PolarHBondContact O-N 2.99Å; P226-L229 PolarHBondContact O-N 2.67Å; P226-D230 WeakPolarHBondContact O-CB 3.21Å; P226-D230 PolarHBondContact O-N 3.05Å
227	P	97.4	Very high	97.7	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-34	175.2	-21.6	29	0	0	0	114	Y117 N223 L225 R231 I344 C346	Y117-P227 HydrophobicContact CD2-CG 4.38Å; Y117-P227 HydrophobicContact CE1-CB 4.31Å; Y117-P227 HydrophobicContact CE2-CB 4.15Å; Y117-P227 HydrophobicContact CE2-CG 3.57Å; Y117-P227 WeakPolarHBondContact OH-CB 3.3Å; N223-P227 WeakPolarHBondContact O-CD 3.35Å; N223-P227 VanDerWaalsContact O-CG 3.24Å; N223-P227 WeakPolarHBondContact O-CG 3.26Å; L225-P227 VanDerWaalsContact C-CD 3.49Å; P227-R231 WeakPolarHBondContact O-CG 3.45Å; P227-I344 HydrophobicContact CB-CG2 3.65Å; P227-C346 HydrophobicContact CB-CB 4.04Å; P227-C346 HydrophobicContact CG-CB 3.95Å
228	L	98.6	Very high	97.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-71.2	-50.2	178	-59.2	176.6	0	0	0	110.2	W224 L225 P226 D230 R231 I232 V240 I344 S347	W224-L228 HydrophobicContact CE3-CD1 3.96Å; W224-L228 HydrophobicContact CZ3-CD1 4.03Å; L225-L228 WeakPolarHBondContact O-CB 3.49Å; L225-L228 PolarHBondContact O-N 2.95Å; P226-L228 PolarHBondContact O-N 2.99Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-D230 PolarHBondContact O-N 2.9Å; L228-R231 PolarHBondContact O-N 2.8Å; L228-I232 PolarHBondContact O-N 3.21Å; L228-V240 HydrophobicContact CB-CG2 3.81Å; L228-V240 HydrophobicContact CD2-CB 4.16Å; L228-V240 HydrophobicContact CD2-CG2 3.91Å; L228-V240 HydrophobicContact CG-CG2 4.44Å; L228-I344 HydrophobicContact CD2-CB 3.93Å; L228-I344 HydrophobicContact CD2-CG1 3.8Å; L228-S347 WeakPolarHBondContact CD1-OG 3.45Å; L228-S347 WeakPolarHBondContact CG-OG 3.28Å
229	L	98.7	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.7	-31	-175.3	-56.3	-170.8	0	0	0	112.5	L122 P123 T125 L154 V210 L225 P226 R231 I232 H233	L122-L229 HydrophobicContact CB-CB 4.36Å; L122-L229 HydrophobicContact CD1-CB 4.3Å; P123-L229 HydrophobicContact CG-CB 4.35Å; P123-L229 VanDerWaalsContact O-CD1 3.27Å; P123-L229 WeakPolarHBondContact O-CD1 3.42Å; T125-L229 HydrophobicContact CG2-CD1 4.32Å; L154-L229 HydrophobicContact CB-CD1 4.09Å; L154-L229 HydrophobicContact CD1-CD1 4.16Å; L154-L229 HydrophobicContact CD2-CD1 4.32Å; L154-L229 HydrophobicContact CG-CD1 4.41Å; V210-L229 HydrophobicContact CB-CD2 4.04Å; V210-L229 HydrophobicContact CG1-CD2 3.69Å; V210-L229 HydrophobicContact CG2-CD2 4.14Å; L225-L229 HydrophobicContact CD1-CD1 3.94Å; L225-L229 HydrophobicContact CD1-CD2 4.08Å; L225-L229 HydrophobicContact CD1-CG 3.86Å; L225-L229 HydrophobicContact CD2-CD1 4.17Å; L225-L229 HydrophobicContact CG-CD1 3.81Å; L225-L229 HydrophobicContact CG-CG 4.05Å; L225-L229 PolarHBondContact O-N 3.41Å; P226-L229 PolarHBondContact O-N 2.67Å; L229-R231 VanDerWaalsContact C-N 3.3Å; L229-R231 PolarHBondContact O-N 2.8Å; L229-I232 PolarHBondContact O-N 3.02Å; L229-H233 VanDerWaalsContact O-CB 3.31Å; L229-H233 WeakPolarHBondContact O-CB 3.5Å; L229-H233 PolarHBondContact O-N 3.43Å
230	D	98.1	Very high	97.8	Very high	16 Å²	16	38 Å²	38	9%	0.086	18%	0.178	C	C	.	.	H	α-helix	trans	-58.9	-39.3	172.9	173.5	75.8	0	0	0	112.6	Y117 L122 P226 L228 H233 K234	Y117-D230 HydrophobicContact CD1-CB 3.58Å; Y117-D230 HydrophobicContact CE1-CB 3.87Å; L122-D230 HydrophobicContact CD2-CB 3.96Å; P226-D230 WeakPolarHBondContact O-CB 3.21Å; P226-D230 PolarHBondContact O-N 3.05Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-D230 PolarHBondContact O-N 2.9Å; D230-H233 PolarHBondContact O-N 2.76Å; D230-K234 WeakPolarHBondContact O-CG 3.47Å; D230-K234 PolarHBondContact O-N 3.05Å; D230-K234 VanDerWaalsContact O-N 3.09Å; D230-K234 WeakPolarHBondContact OD1-CE 3.28Å; D230-K234 IonicContact OD1-NZ 3.31Å; D230-K234 PolarHBondContact OD1-NZ 3.42Å; D230-K234 WeakPolarHBondContact OD2-CE 3.45Å; D230-K234 IonicContact OD2-NZ 2.68Å; D230-K234 PolarHBondContact OD2-NZ 2.99Å
231	R	97.9	Very high	97.8	Very high	41 Å²	41	38.3 Å²	38.3	16%	0.155	18%	0.18	C	C	.	.	H	α-helix	trans	-69.2	-38.9	178.5	-67.1	-61.1	-57.5	128.6	-3.5	112.7	P227 L228 L229 K234 D235 N238 V240 E342 I344	P227-R231 WeakPolarHBondContact O-CG 3.45Å; L228-R231 PolarHBondContact O-N 2.8Å; L229-R231 VanDerWaalsContact C-N 3.3Å; L229-R231 PolarHBondContact O-N 2.8Å; R231-K234 PolarHBondContact O-N 2.86Å; R231-D235 PolarHBondContact O-N 3.03Å; R231-N238 PolarHBondContact NH2-ND2 2.74Å; R231-N238 PolarHBondContact O-ND2 3.28Å; R231-V240 HydrophobicContact CB-CG1 3.65Å; R231-V240 HydrophobicContact CG-CG1 4.31Å; R231-E342 IonicContact CZ-OE1 3.81Å; R231-E342 IonicContact CZ-OE2 3.27Å; R231-E342 VanDerWaalsContact CZ-OE2 3.27Å; R231-E342 IonicContact NE-OE2 2.78Å; R231-E342 PolarHBondContact NE-OE2 2.81Å; R231-E342 VanDerWaalsContact NH2-CD 3.28Å; R231-E342 IonicContact NH2-OE1 2.95Å; R231-E342 PolarHBondContact NH2-OE1 2.84Å; R231-E342 IonicContact NH2-OE2 2.62Å; R231-E342 PolarHBondContact NH2-OE2 2.96Å; R231-I344 HydrophobicContact CG-CD1 3.7Å; R231-I344 HydrophobicContact CG-CG1 4.28Å
232	I	98.6	Very high	97.9	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-71.5	-35.7	175.8	-58.4	172.4	0	0	0	110.7	V210 L228 L229 K234 D235 Q236 V240 D306	V210-I232 HydrophobicContact CG1-CD1 3.61Å; V210-I232 HydrophobicContact CG2-CB 4.47Å; V210-I232 HydrophobicContact CG2-CD1 4.08Å; V210-I232 HydrophobicContact CG2-CG2 3.92Å; L228-I232 PolarHBondContact O-N 3.21Å; L229-I232 PolarHBondContact O-N 3.02Å; I232-K234 VanDerWaalsContact C-N 3.3Å; I232-K234 PolarHBondContact O-N 3.22Å; I232-D235 CarbonylContact O-C 3.06Å; I232-D235 PolarHBondContact O-N 3.21Å; I232-D235 VanDerWaalsContact O-O 3.11Å; I232-Q236 PolarHBondContact O-N 3.06Å; I232-V240 HydrophobicContact CD1-CG2 3.93Å; I232-V240 HydrophobicContact CG1-CG2 4Å; I232-D306 HydrophobicContact CG2-CB 3.9Å
233	H	98.1	Very high	98	Very high	95 Å²	95	31.2 Å²	31.2	44%	0.44	15%	0.147	S	C	.	.	H	α-helix	trans	-61	-40.2	174.9	-177.6	76.9	0	0	0	111.8	E121 L122 L229 D230	E121-H233 PolarHBondContact O-CE1 3.04Å; E121-H233 VanDerWaalsContact O-CE1 3.22Å; E121-H233 PolarHBondContact O-ND1 3.11Å; L122-H233 HydrophobicContact CD2-CB 4.13Å; L229-H233 VanDerWaalsContact O-CB 3.31Å; L229-H233 WeakPolarHBondContact O-CB 3.5Å; L229-H233 PolarHBondContact O-N 3.43Å; D230-H233 PolarHBondContact O-N 2.76Å
234	K	97.4	Very high	98.2	Very high	131 Å²	131	29.2 Å²	29.2	57%	0.57	14%	0.137	S	C	*	.	H	α-helix	trans	-68.7	-35.6	177.6	-74.4	166.8	179.2	163.7	0	113.4	D230 R231 I232	D230-K234 WeakPolarHBondContact O-CG 3.47Å; D230-K234 PolarHBondContact O-N 3.05Å; D230-K234 VanDerWaalsContact O-N 3.09Å; D230-K234 WeakPolarHBondContact OD1-CE 3.28Å; D230-K234 IonicContact OD1-NZ 3.31Å; D230-K234 PolarHBondContact OD1-NZ 3.42Å; D230-K234 WeakPolarHBondContact OD2-CE 3.45Å; D230-K234 IonicContact OD2-NZ 2.68Å; D230-K234 PolarHBondContact OD2-NZ 2.99Å; R231-K234 PolarHBondContact O-N 2.86Å; I232-K234 VanDerWaalsContact C-N 3.3Å; I232-K234 PolarHBondContact O-N 3.22Å
235	D	98.2	Very high	98.1	Very high	73 Å²	73	29.2 Å²	29.2	39%	0.39	14%	0.136	S	C	.	.			trans	-154.7	118.9	172.4	-176.2	-12.9	0	0	0	109.4	R231 I232 K237 N238	R231-D235 PolarHBondContact O-N 3.03Å; I232-D235 CarbonylContact O-C 3.06Å; I232-D235 PolarHBondContact O-N 3.21Å; I232-D235 VanDerWaalsContact O-O 3.11Å; D235-K237 PolarHBondContact O-N 2.93Å; D235-K237 VanDerWaalsContact O-N 3.1Å; D235-K237 WeakPolarHBondContact OD1-CB 3.47Å; D235-K237 PolarHBondContact OD1-N 3.09Å; D235-N238 WeakPolarHBondContact O-CB 3.41Å; D235-N238 PolarHBondContact O-N 3.25Å
236	Q	98.1	Very high	98	Very high	112 Å²	112	32.2 Å²	32.2	52%	0.523	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.6	-178.6	-69.9	175	-12.1	0	0	113.1	I232 N238 D306	I232-Q236 PolarHBondContact O-N 3.06Å; Q236-N238 VanDerWaalsContact C-N 3.33Å; Q236-D306 HydrophobicContact CB-CB 4.22Å; Q236-D306 WeakPolarHBondContact O-CB 3.27Å
237	K	98.5	Very high	97.9	Very high	91 Å²	91	32.3 Å²	32.3	40%	0.396	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-3.8	176.1	-58.9	-170.7	178.2	-175.7	0	113.9	D235 Y309 G338 G339 R340	D235-K237 PolarHBondContact O-N 2.93Å; D235-K237 VanDerWaalsContact O-N 3.1Å; D235-K237 WeakPolarHBondContact OD1-CB 3.47Å; D235-K237 PolarHBondContact OD1-N 3.09Å; K237-Y309 HydrophobicContact CB-CE1 4.17Å; K237-Y309 HydrophobicContact CB-CE2 4.15Å; K237-Y309 HydrophobicContact CD-CE2 4.3Å; K237-Y309 HydrophobicContact CG-CD2 4.1Å; K237-Y309 HydrophobicContact CG-CE2 3.83Å; K237-Y309 WeakPolarHBondContact O-CE1 3.5Å; K237-G338 WeakPolarHBondContact CD-O 3.16Å; K237-G339 WeakPolarHBondContact O-CA 3.48Å; K237-R340 PolarHBondContact O-N 3.35Å
238	N	98.6	Very high	97.8	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.5	171.1	-68.2	-24.5	0	0	0	109.9	R231 D235 Q236 V240	R231-N238 PolarHBondContact NH2-ND2 2.74Å; R231-N238 PolarHBondContact O-ND2 3.28Å; D235-N238 WeakPolarHBondContact O-CB 3.41Å; D235-N238 PolarHBondContact O-N 3.25Å; Q236-N238 VanDerWaalsContact C-N 3.33Å; N238-V240 HydrophobicContact CB-CG1 4.39Å
239	V	98.8	Very high	97.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127	168.8	-175.6	0	0	0	0	107.4	F303 I305 Y309 I334 R340 L341 E342	V239-F303 HydrophobicContact CG1-CD2 3.85Å; V239-I305 HydrophobicContact CG1-CB 4.22Å; V239-I305 HydrophobicContact CG1-CD1 4.37Å; V239-I305 HydrophobicContact CG2-CB 4.34Å; V239-I305 HydrophobicContact CG2-CD1 3.52Å; V239-I305 HydrophobicContact CG2-CG1 3.77Å; V239-Y309 HydrophobicContact CG2-CD1 4.23Å; V239-Y309 HydrophobicContact CG2-CE1 4.01Å; V239-I334 HydrophobicContact CB-CD1 3.68Å; V239-I334 HydrophobicContact CB-CG1 4.31Å; V239-I334 HydrophobicContact CB-CG2 4.33Å; V239-I334 HydrophobicContact CG1-CD1 3.72Å; V239-I334 HydrophobicContact CG2-CD1 3.54Å; V239-I334 HydrophobicContact CG2-CG1 3.68Å; V239-I334 HydrophobicContact CG2-CG2 3.99Å; V239-R340 PolarHBondContact N-O 3.23Å; V239-L341 HydrophobicContact CB-CD1 4.1Å; V239-L341 HydrophobicContact CG1-CD1 3.99Å; V239-L341 WeakPolarHBondContact O-CA 3.45Å; V239-E342 PolarHBondContact O-N 3.32Å
240	V	98.7	Very high	97.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.3	-166.6	-63.4	0	0	0	0	112.5	L228 R231 I232 N238 F303 S304 E342 I344	L228-V240 HydrophobicContact CB-CG2 3.81Å; L228-V240 HydrophobicContact CD2-CB 4.16Å; L228-V240 HydrophobicContact CD2-CG2 3.91Å; L228-V240 HydrophobicContact CG-CG2 4.44Å; R231-V240 HydrophobicContact CB-CG1 3.65Å; R231-V240 HydrophobicContact CG-CG1 4.31Å; I232-V240 HydrophobicContact CD1-CG2 3.93Å; I232-V240 HydrophobicContact CG1-CG2 4Å; N238-V240 HydrophobicContact CB-CG1 4.39Å; V240-F303 CarbonylContact O-C 3.52Å; V240-F303 VanDerWaalsContact O-CA 3.26Å; V240-F303 WeakPolarHBondContact O-CA 3.44Å; V240-S304 PolarHBondContact N-O 3.15Å; V240-S304 PolarHBondContact O-N 3.37Å; V240-E342 CarbonylContact C-O 3.55Å; V240-E342 VanDerWaalsContact CA-O 3.3Å; V240-E342 WeakPolarHBondContact CA-O 3.06Å; V240-E342 HydrophobicContact CG1-CB 4.33Å; V240-I344 HydrophobicContact CB-CD1 4.32Å; V240-I344 HydrophobicContact CB-CG1 3.87Å; V240-I344 HydrophobicContact CG1-CD1 4.03Å; V240-I344 HydrophobicContact CG1-CG1 4.11Å
241	C	98.7	Very high	97	Very high	7 Å²	7	47.3 Å²	47.3	5%	0.047	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.8	175.4	-69	0	0	0	0	110.1	M298 E342 I343 I344	C241-M298 VanDerWaalsContact SG-CB 3.6Å; C241-E342 PolarHBondContact N-O 3Å; C241-I343 HydrophobicContact CB-CG1 4.16Å; C241-I343 CarbonylContact O-C 3.58Å; C241-I343 WeakPolarHBondContact O-CA 3.46Å; C241-I344 PolarHBondContact O-N 3.35Å
242	P	98.3	Very high	96.8	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	163.5	162.2	33.1	-34.8	0	0	0	110.2	I244 L302 S347 V349	P242-I244 PolarHBondContact O-N 3.04Å; P242-L302 WeakPolarHBondContact CD-O 3.31Å; P242-L302 HydrophobicContact CG-CB 3.91Å; P242-L302 HydrophobicContact CG-CD2 4.25Å; P242-S347 CarbonylContact C-O 3.58Å; P242-S347 WeakPolarHBondContact CA-O 3.45Å; P242-S347 WeakPolarHBondContact CB-O 2.83Å; P242-S347 WeakPolarHBondContact CB-OG 3.43Å; P242-V349 HydrophobicContact CB-CB 4.28Å; P242-V349 HydrophobicContact CB-CG2 3.81Å; P242-V349 HydrophobicContact CG-CB 4.14Å; P242-V349 HydrophobicContact CG-CG2 3.86Å
243	V	97.4	Very high	96.7	Very high	9 Å²	9	52.6 Å²	52.6	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	122.3	156.2	180	0	0	0	0	107.6	D245 T262 I343 S347 V349	V243-D245 PolarHBondContact O-N 3.33Å; V243-T262 HydrophobicContact CG2-CG2 4.03Å; V243-I343 HydrophobicContact CG2-CG2 4.02Å; V243-S347 PolarHBondContact N-O 3.16Å; V243-V349 PolarHBondContact O-N 2.9Å
244	I	97.2	Very high	96.6	Very high	25 Å²	25	49 Å²	49	13%	0.128	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	101.2	178.3	-53.7	178.1	0	0	0	107.7	P242 W275 A299 L302 V349 H351 F353	P242-I244 PolarHBondContact O-N 3.04Å; I244-W275 HydrophobicContact CD1-CH2 4.32Å; I244-W275 HydrophobicContact CD1-CZ2 4.42Å; I244-A299 HydrophobicContact CD1-CB 4.01Å; I244-L302 HydrophobicContact CD1-CB 4.43Å; I244-L302 HydrophobicContact CD1-CD1 4.42Å; I244-L302 HydrophobicContact CG1-CD2 4.49Å; I244-V349 WeakPolarHBondContact CA-O 3.24Å; I244-H351 HydrophobicContact CG2-CB 3.54Å; I244-F353 HydrophobicContact CG2-CE2 3.96Å; I244-F353 HydrophobicContact CG2-CZ 3.67Å
245	D	96.8	Very high	96.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	156	176.1	-75.2	-34.4	0	0	0	110.8	V243 Y254 H255 S257 H348 V349 G350 H351	V243-D245 PolarHBondContact O-N 3.33Å; D245-Y254 HydrophobicContact CB-CD1 4.49Å; D245-Y254 HydrophobicContact CB-CE1 3.58Å; D245-Y254 WeakPolarHBondContact CB-OH 3.41Å; D245-Y254 WeakPolarHBondContact OD2-CE1 3.49Å; D245-Y254 PolarHBondContact OD2-OH 3.41Å; D245-Y254 VanDerWaalsContact OD2-OH 3.11Å; D245-H255 WeakPolarHBondContact CB-O 3.43Å; D245-S257 WeakPolarHBondContact OD1-CB 3.39Å; D245-S257 PolarHBondContact OD1-N 2.95Å; D245-S257 PolarHBondContact OD1-OG 3.35Å; D245-H348 IonicContact OD1-ND1 3.69Å; D245-H348 IonicContact OD2-CE1 3.88Å; D245-H348 IonicContact OD2-CG 3.52Å; D245-H348 IonicContact OD2-ND1 2.79Å; D245-H348 PolarHBondContact OD2-ND1 2.78Å; D245-V349 PolarHBondContact N-O 2.83Å; D245-G350 CarbonylContact O-C 3.59Å; D245-G350 WeakPolarHBondContact O-CA 3.47Å; D245-H351 PolarHBondContact O-N 3.24Å
246	V	95.5	Very high	96.2	Very high	64 Å²	64	48.4 Å²	48.4	39%	0.388	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.9	-179.2	178.1	0	0	0	0	109.6	H255 F353	V246-H255 HydrophobicContact CB-CB 4.29Å; V246-H255 WeakPolarHBondContact O-CB 3.33Å; V246-H255 PolarHBondContact O-N 3.15Å; V246-F353 HydrophobicContact CB-CD2 4.22Å; V246-F353 HydrophobicContact CB-CE2 4.42Å; V246-F353 HydrophobicContact CG1-CD2 4.12Å; V246-F353 HydrophobicContact CG2-CD2 3.81Å; V246-F353 HydrophobicContact CG2-CE2 3.77Å
247	I	96.7	Very high	95.8	Very high	2 Å²	2	45 Å²	45	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.2	161.3	-58.2	170.6	0	0	0	106.7	E219 D249 F252 Q253 Y254 G350 H351 V352	E219-I247 HydrophobicContact CB-CD1 3.82Å; E219-I247 HydrophobicContact CG-CD1 3.75Å; I247-D249 PolarHBondContact O-N 3.13Å; I247-F252 HydrophobicContact CG2-CB 4.43Å; I247-F252 HydrophobicContact CG2-CD1 3.83Å; I247-F252 HydrophobicContact CG2-CE1 4.43Å; I247-F252 HydrophobicContact CG2-CG 4.33Å; I247-Q253 WeakPolarHBondContact CA-O 3.05Å; I247-Y254 HydrophobicContact CD1-CD2 4.28Å; I247-Y254 HydrophobicContact CG1-CD2 3.89Å; I247-Y254 HydrophobicContact CG1-CE2 4.33Å; I247-G350 VanDerWaalsContact CD1-C 3.47Å; I247-H351 PolarHBondContact N-O 3.26Å; I247-V352 HydrophobicContact CB-CG2 3.89Å; I247-V352 HydrophobicContact CD1-CG2 4.38Å; I247-V352 HydrophobicContact CG2-CG2 3.84Å
248	D	94.1	Very high	95.4	Very high	46 Å²	46	47.2 Å²	47.2	25%	0.246	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-61.6	129.8	-179.4	-178.3	-91.7	0	0	0	110.9	E250 T251 F252 Q253	D248-E250 VanDerWaalsContact C-N 3.28Å; D248-E250 PolarHBondContact O-N 3.21Å; D248-E250 PolarHBondContact OD1-N 2.83Å; D248-E250 VanDerWaalsContact OD1-N 3.15Å; D248-T251 WeakPolarHBondContact CB-OG1 3.39Å; D248-T251 VanDerWaalsContact CG-OG1 3.25Å; D248-T251 WeakPolarHBondContact OD1-CB 3.39Å; D248-T251 PolarHBondContact OD1-N 3.38Å; D248-T251 PolarHBondContact OD1-OG1 3.02Å; D248-F252 WeakPolarHBondContact O-CA 3.49Å; D248-F252 PolarHBondContact O-N 3.23Å; D248-Q253 HydrophobicContact CB-CB 4.4Å; D248-Q253 PolarHBondContact N-O 3.4Å
249	D	92	Very high	94.7	Very high	60 Å²	60	47.8 Å²	47.8	32%	0.321	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.2	-171.2	67.3	-30.9	0	0	0	113.7	I247 V352	I247-D249 PolarHBondContact O-N 3.13Å; D249-V352 HydrophobicContact CB-CG1 3.83Å
250	E	92.2	Very high	94.1	Very high	144 Å²	144	49.8 Å²	49.8	67%	0.673	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-41.7	-180	-65.4	178.5	-169.5	0	0	112	D248 K355	D248-E250 VanDerWaalsContact C-N 3.28Å; D248-E250 PolarHBondContact O-N 3.21Å; D248-E250 PolarHBondContact OD1-N 2.83Å; D248-E250 VanDerWaalsContact OD1-N 3.15Å; E250-K355 IonicContact OE1-NZ 2.9Å; E250-K355 PolarHBondContact OE1-NZ 3.45Å
251	T	95	Very high	93.5	Very high	84 Å²	84	56.8 Å²	56.8	52%	0.515	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-15.4	-173.3	66.1	0	0	0	0	113.9	D248 Q253	D248-T251 WeakPolarHBondContact CB-OG1 3.39Å; D248-T251 VanDerWaalsContact CG-OG1 3.25Å; D248-T251 WeakPolarHBondContact OD1-CB 3.39Å; D248-T251 PolarHBondContact OD1-N 3.38Å; D248-T251 PolarHBondContact OD1-OG1 3.02Å; T251-Q253 PolarHBondContact O-N 2.86Å; T251-Q253 WeakPolarHBondContact OG1-CB 3.28Å; T251-Q253 PolarHBondContact OG1-N 2.82Å
252	F	94.3	Very high	93.1	Very high	42 Å²	42	56.8 Å²	56.8	18%	0.184	28%	0.283	C	S	.	.			trans	55.1	26.4	-169.5	-85.1	-99.5	0	0	0	113.4	L99 V138 R141 I247 D248 V352	L99-F252 HydrophobicContact CD1-CB 3.51Å; L99-F252 HydrophobicContact CD1-CG 4.08Å; V138-F252 HydrophobicContact CG2-CE1 4.14Å; V138-F252 HydrophobicContact CG2-CZ 3.76Å; R141-F252 VanDerWaalsContact NH1-CD1 3.29Å; I247-F252 HydrophobicContact CG2-CB 4.43Å; I247-F252 HydrophobicContact CG2-CD1 3.83Å; I247-F252 HydrophobicContact CG2-CE1 4.43Å; I247-F252 HydrophobicContact CG2-CG 4.33Å; D248-F252 WeakPolarHBondContact O-CA 3.49Å; D248-F252 PolarHBondContact O-N 3.23Å; F252-V352 HydrophobicContact CE1-CG2 3.97Å; F252-V352 HydrophobicContact CZ-CG2 4.37Å
253	Q	96.4	Very high	92.9	Very high	111 Å²	111	61.1 Å²	61.1	52%	0.519	30%	0.303	S	S	.	.			trans	-69.6	129.5	170.1	-176.4	171.7	9.2	0	0	109.7	I247 D248 T251 H255	I247-Q253 WeakPolarHBondContact CA-O 3.05Å; D248-Q253 HydrophobicContact CB-CB 4.4Å; D248-Q253 PolarHBondContact N-O 3.4Å; T251-Q253 PolarHBondContact O-N 2.86Å; T251-Q253 WeakPolarHBondContact OG1-CB 3.28Å; T251-Q253 PolarHBondContact OG1-N 2.82Å; Q253-H255 PolarHBondContact O-CD2 3.35Å
254	Y	95.6	Very high	92.8	Very high	21 Å²	21	60.8 Å²	60.8	8%	0.082	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.3	174.2	-166.6	-71.8	0	0	0	110	E219 M221 D245 I247 Y256 G350	E219-Y254 HydrophobicContact CB-CE2 4.44Å; M221-Y254 HydrophobicContact CE-CE1 4.33Å; M221-Y254 HydrophobicContact CG-CE1 4.16Å; M221-Y254 HydrophobicContact CG-CE2 4.11Å; M221-Y254 WeakPolarHBondContact CG-OH 3.32Å; M221-Y254 HydrophobicContact SD-CE1 4.1Å; M221-Y254 HydrophobicContact SD-CE2 3.97Å; D245-Y254 HydrophobicContact CB-CD1 4.49Å; D245-Y254 HydrophobicContact CB-CE1 3.58Å; D245-Y254 WeakPolarHBondContact CB-OH 3.41Å; D245-Y254 WeakPolarHBondContact OD2-CE1 3.49Å; D245-Y254 PolarHBondContact OD2-OH 3.41Å; D245-Y254 VanDerWaalsContact OD2-OH 3.11Å; I247-Y254 HydrophobicContact CD1-CD2 4.28Å; I247-Y254 HydrophobicContact CG1-CD2 3.89Å; I247-Y254 HydrophobicContact CG1-CE2 4.33Å; Y254-Y256 HydrophobicContact CE1-CD2 4.17Å; Y254-G350 PolarHBondContact OH-N 3.49Å
255	H	94.5	Very high	92.8	Very high	80 Å²	80	59.7 Å²	59.7	37%	0.37	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	92.7	176.8	-64.5	-78.7	0	0	0	110.6	D245 V246 Q253 S257	D245-H255 WeakPolarHBondContact CB-O 3.43Å; V246-H255 HydrophobicContact CB-CB 4.29Å; V246-H255 WeakPolarHBondContact O-CB 3.33Å; V246-H255 PolarHBondContact O-N 3.15Å; Q253-H255 PolarHBondContact O-CD2 3.35Å; H255-S257 PolarHBondContact O-N 2.63Å
256	Y	93.2	Very high	92.7	Very high	111 Å²	111	59.7 Å²	59.7	44%	0.435	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-72	123.7	178.8	-176.6	-91.9	0	0	0	111.9	M221 Y254 H348	M221-Y256 HydrophobicContact CE-CD2 4.11Å; Y254-Y256 HydrophobicContact CE1-CD2 4.17Å; Y256-H348 AromaticContact CD2-ND1 3.83Å; Y256-H348 HydrophobicContact CE2-CB 4.08Å; Y256-H348 AromaticContact CE2-CD2 3.64Å; Y256-H348 AromaticContact CE2-CE1 3.48Å; Y256-H348 VanDerWaalsContact CE2-CE1 3.48Å; Y256-H348 WeakPolarHBondContact CE2-CE1 3.46Å; Y256-H348 AromaticContact CE2-CG 3.44Å; Y256-H348 VanDerWaalsContact CE2-CG 3.44Å; Y256-H348 AromaticContact CE2-ND1 3.34Å; Y256-H348 VanDerWaalsContact CE2-ND1 3.34Å; Y256-H348 WeakPolarHBondContact CE2-ND1 3.46Å; Y256-H348 AromaticContact CE2-NE2 3.63Å; Y256-H348 AromaticContact CZ-CD2 3.88Å; Y256-H348 AromaticContact CZ-CE1 3.46Å; Y256-H348 VanDerWaalsContact CZ-CE1 3.46Å; Y256-H348 AromaticContact CZ-ND1 3.84Å; Y256-H348 AromaticContact CZ-NE2 3.43Å; Y256-H348 PolarHBondContact OH-CD2 2.81Å; Y256-H348 PolarHBondContact OH-CE1 3.08Å; Y256-H348 PolarHBondContact OH-NE2 2.94Å
257	S	89.3	Confident	92.7	Very high	40 Å²	40	56.6 Å²	56.6	28%	0.28	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-85	136.4	178.3	-52.3	0	0	0	0	111.1	D245 H255 H348	D245-S257 WeakPolarHBondContact OD1-CB 3.39Å; D245-S257 PolarHBondContact OD1-N 2.95Å; D245-S257 PolarHBondContact OD1-OG 3.35Å; H255-S257 PolarHBondContact O-N 2.63Å; S257-H348 PolarHBondContact O-CE1 2.85Å; S257-H348 VanDerWaalsContact O-CE1 3.23Å
258	K	89.3	Confident	92.3	Very high	137 Å²	137	58 Å²	58	60%	0.596	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-75.5	149.5	170.9	-54.3	-177.2	-177.5	176.6	0	110.1	S260 F261 T262	K258-S260 PolarHBondContact O-N 3.48Å; K258-S260 VanDerWaalsContact O-N 3.14Å; K258-F261 HydrophobicContact CB-CD2 3.88Å; K258-F261 HydrophobicContact CB-CE2 4.47Å; K258-F261 HydrophobicContact CD-CD2 4.32Å; K258-F261 HydrophobicContact CD-CE2 4.1Å; K258-F261 HydrophobicContact CG-CD2 4.27Å; K258-F261 PolarHBondContact O-N 3.34Å; K258-T262 PolarHBondContact O-N 3.31Å
259	A	85.7	Confident	92.2	Very high	17 Å²	17	55.9 Å²	55.9	14%	0.14	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-55	-32.8	177	0	0	0	0	0	113.6	F261 T262 E289 V290 P345	A259-F261 PolarHBondContact O-N 3.34Å; A259-T262 PolarHBondContact O-N 3.23Å; A259-T262 PolarHBondContact O-OG1 2.91Å; A259-T262 VanDerWaalsContact O-OG1 3.11Å; A259-E289 HydrophobicContact CB-CB 4.17Å; A259-V290 HydrophobicContact CB-CG1 4.14Å; A259-P345 HydrophobicContact CB-CB 4.13Å
260	S	84.9	Confident	92.1	Very high	42 Å²	42	54.9 Å²	54.9	29%	0.294	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-64.5	-21	175.1	66.7	0	0	0	0	114.4	K258 E289	K258-S260 PolarHBondContact O-N 3.48Å; K258-S260 VanDerWaalsContact O-N 3.14Å; S260-E289 WeakPolarHBondContact CB-OE1 3.39Å; S260-E289 WeakPolarHBondContact CB-OE2 3.39Å
261	F	86.7	Confident	92.2	Very high	146 Å²	146	48.4 Å²	48.4	64%	0.64	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-106.9	5.4	-178	-64	-61.2	0	0	0	113	K258 A259 Q263	K258-F261 HydrophobicContact CB-CD2 3.88Å; K258-F261 HydrophobicContact CB-CE2 4.47Å; K258-F261 HydrophobicContact CD-CD2 4.32Å; K258-F261 HydrophobicContact CD-CE2 4.1Å; K258-F261 HydrophobicContact CG-CD2 4.27Å; K258-F261 PolarHBondContact O-N 3.34Å; A259-F261 PolarHBondContact O-N 3.34Å; F261-Q263 PolarHBondContact O-N 2.85Å
262	T	90.7	Very high	92	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.043	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-56	132.6	175.8	-56.7	0	0	0	0	110.2	V243 K258 A259 I278 L293 I343	V243-T262 HydrophobicContact CG2-CG2 4.03Å; K258-T262 PolarHBondContact O-N 3.31Å; A259-T262 PolarHBondContact O-N 3.23Å; A259-T262 PolarHBondContact O-OG1 2.91Å; A259-T262 VanDerWaalsContact O-OG1 3.11Å; T262-I278 WeakPolarHBondContact O-CD1 3.49Å; T262-I278 VanDerWaalsContact O-CG1 3.27Å; T262-I278 WeakPolarHBondContact O-CG1 3.34Å; T262-L293 HydrophobicContact CG2-CD2 3.6Å; T262-I343 HydrophobicContact CG2-CG2 3.77Å
263	Q	93.3	Very high	91.9	Very high	95 Å²	95	51.3 Å²	51.3	44%	0.444	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	154.9	178.2	-65.5	-178	-41.8	0	0	110.3	F261 W275 H276 I343	F261-Q263 PolarHBondContact O-N 2.85Å; Q263-W275 HydrophobicContact CB-CB 4.26Å; Q263-W275 HydrophobicContact CB-CD2 4.47Å; Q263-W275 HydrophobicContact CB-CE3 3.85Å; Q263-W275 VanDerWaalsContact OE1-CB 3.31Å; Q263-H276 CarbonylContact C-O 3.49Å; Q263-H276 VanDerWaalsContact CA-O 3.26Å; Q263-H276 WeakPolarHBondContact CA-O 3.35Å; Q263-H276 VanDerWaalsContact CB-O 3.31Å; Q263-H276 WeakPolarHBondContact CB-O 3.41Å; Q263-I343 WeakPolarHBondContact O-CD1 3.12Å
264	V	95.5	Very high	91.7	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	153.6	170.4	-61.1	0	0	0	0	110.1	H276 L293 E294	V264-H276 HydrophobicContact CG2-CB 4.07Å; V264-H276 PolarHBondContact N-O 3.43Å; V264-H276 PolarHBondContact O-N 3.44Å; V264-L293 HydrophobicContact CG1-CD1 4Å; V264-L293 HydrophobicContact CG1-CD2 3.54Å; V264-L293 HydrophobicContact CG1-CG 3.63Å; V264-E294 WeakPolarHBondContact CG1-O 3.4Å
265	G	96.6	Very high	91.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.6	172.9	0	0	0	0	0	111.8	S295 P296 T297	G265-S295 PolarHBondContact N-OG 3.08Å; G265-P296 WeakPolarHBondContact O-CB 3.38Å; G265-P296 VanDerWaalsContact O-CD 3.24Å; G265-P296 WeakPolarHBondContact O-CD 3.36Å; G265-T297 WeakPolarHBondContact CA-O 3.44Å; G265-T297 WeakPolarHBondContact CA-OG1 3.34Å; G265-T297 PolarHBondContact O-N 2.95Å; G265-T297 VanDerWaalsContact O-N 3.13Å; G265-T297 PolarHBondContact O-OG1 2.85Å
266	G	95.5	Very high	91.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	-166.1	168.4	0	0	0	0	0	110.7	S274 H276 T297	G266-S274 PolarHBondContact N-O 3.02Å; G266-S274 PolarHBondContact O-N 3.44Å; G266-H276 PolarHBondContact N-CD2 2.85Å; G266-T297 PolarHBondContact N-OG1 3.43Å; G266-T297 VanDerWaalsContact N-OG1 3.15Å; G266-T297 PolarHBondContact O-OG1 3.46Å
267	F	94.6	Very high	91.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	154.6	172	69.7	-73.4	0	0	0	110.2	L271 Q272 T297 L328 F332 F416 Y419 Y424 L427	F267-L271 HydrophobicContact CD2-CD2 3.87Å; F267-L271 HydrophobicContact CE2-CD2 3.99Å; F267-Q272 WeakPolarHBondContact CA-O 3.47Å; F267-Q272 WeakPolarHBondContact CB-O 3.48Å; F267-T297 HydrophobicContact CD1-CG2 3.72Å; F267-T297 HydrophobicContact CE1-CG2 4.49Å; F267-L328 HydrophobicContact CB-CD1 4.07Å; F267-L328 HydrophobicContact CB-CD2 3.88Å; F267-L328 HydrophobicContact CG-CD1 4.45Å; F267-L328 HydrophobicContact CG-CD2 4.37Å; F267-F332 HydrophobicContact CD1-CE1 4.31Å; F267-F332 HydrophobicContact CD1-CZ 4.29Å; F267-F332 AromaticContact CE1-CE1 3.91Å; F267-F332 HydrophobicContact CE1-CE1 3.91Å; F267-F332 AromaticContact CE1-CZ 3.97Å; F267-F332 HydrophobicContact CE1-CZ 3.97Å; F267-F332 HydrophobicContact CE2-CZ 4.24Å; F267-F332 HydrophobicContact CZ-CE1 4.31Å; F267-F332 HydrophobicContact CZ-CZ 4Å; F267-F416 HydrophobicContact CE2-CZ 4.5Å; F267-F416 AromaticContact CZ-CZ 3.81Å; F267-F416 HydrophobicContact CZ-CZ 3.81Å; F267-Y419 HydrophobicContact CE1-CE1 4.09Å; F267-Y424 HydrophobicContact CD1-CD1 4.17Å; F267-Y424 HydrophobicContact CD1-CE1 4.07Å; F267-Y424 AromaticContact CE1-CD1 3.81Å; F267-Y424 HydrophobicContact CE1-CD1 3.81Å; F267-Y424 HydrophobicContact CE1-CE1 4.1Å; F267-L427 HydrophobicContact CE1-CD2 3.91Å; F267-L427 HydrophobicContact CE2-CD2 4.02Å; F267-L427 HydrophobicContact CZ-CD2 3.42Å; F267-L427 VanDerWaalsContact CZ-CD2 3.42Å; F267-L427 WeakPolarHBondContact O-CD1 3.38Å
268	D	90.2	Very high	91.3	Very high	30 Å²	30	47.2 Å²	47.2	16%	0.16	24%	0.24	C	C	.	.			trans	-93.2	171.9	169.6	77.8	-9.9	0	0	0	111.4	S270 L271 Q272	D268-S270 PolarHBondContact O-N 2.86Å; D268-S270 VanDerWaalsContact O-N 3.09Å; D268-S270 VanDerWaalsContact OD1-CA 3.28Å; D268-S270 WeakPolarHBondContact OD1-CA 3.39Å; D268-S270 WeakPolarHBondContact OD1-CB 3.37Å; D268-S270 PolarHBondContact OD1-N 3.37Å; D268-S270 WeakPolarHBondContact OD2-CB 3.38Å; D268-S270 PolarHBondContact OD2-OG 3.17Å; D268-L271 WeakPolarHBondContact O-CA 3.26Å; D268-L271 PolarHBondContact O-N 3.49Å; D268-L271 PolarHBondContact OD1-N 2.66Å; D268-Q272 PolarHBondContact N-O 2.85Å; D268-Q272 VanDerWaalsContact N-O 3.13Å; D268-Q272 WeakPolarHBondContact OD1-CB 3.3Å; D268-Q272 PolarHBondContact OD1-N 2.79Å
269	W	91.6	Very high	91.3	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.011	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-3	177.2	-69.8	104.3	0	0	0	114.2	Y383 Y386 Y387 R390 F416 L420 L427 F428 V429 P430	W269-Y383 AromaticContact CH2-CD1 3.77Å; W269-Y383 HydrophobicContact CH2-CD1 3.77Å; W269-Y383 HydrophobicContact CH2-CG 4.24Å; W269-Y383 HydrophobicContact CZ3-CD1 4.49Å; W269-Y386 HydrophobicContact CD2-CD2 4.26Å; W269-Y386 HydrophobicContact CD2-CG 4.37Å; W269-Y386 AromaticContact CE3-CD2 3.96Å; W269-Y386 HydrophobicContact CE3-CD2 3.96Å; W269-Y386 HydrophobicContact CE3-CG 4.23Å; W269-Y386 AromaticContact CH2-CD2 3.89Å; W269-Y386 HydrophobicContact CH2-CD2 3.89Å; W269-Y386 HydrophobicContact CH2-CE2 4.49Å; W269-Y386 HydrophobicContact CZ2-CD2 4.19Å; W269-Y386 AromaticContact CZ3-CD2 3.78Å; W269-Y386 HydrophobicContact CZ3-CD2 3.78Å; W269-Y386 HydrophobicContact CZ3-CG 4.49Å; W269-Y387 WeakPolarHBondContact O-CA 3.49Å; W269-Y387 WeakPolarHBondContact O-CD2 3.27Å; W269-R390 VanDerWaalsContact C-CD 3.41Å; W269-R390 VanDerWaalsContact O-CD 3.23Å; W269-R390 WeakPolarHBondContact O-CD 3.28Å; W269-F416 HydrophobicContact CH2-CE1 4.04Å; W269-F416 HydrophobicContact CZ3-CE1 4.2Å; W269-L420 HydrophobicContact CH2-CD1 4.37Å; W269-L427 HydrophobicContact CH2-CD2 4.36Å; W269-L427 HydrophobicContact CZ2-CD2 3.84Å; W269-L427 HydrophobicContact CZ2-CG 4.3Å; W269-F428 PolarHBondContact NE1-O 2.81Å; W269-V429 HydrophobicContact CZ2-CB 4.29Å; W269-V429 HydrophobicContact CZ2-CG1 4.15Å; W269-V429 HydrophobicContact CZ2-CG2 4.1Å; W269-P430 HydrophobicContact CG-CG 4.4Å
270	S	89.2	Confident	91.5	Very high	38 Å²	38	46.3 Å²	46.3	27%	0.266	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	2.3	165.6	-41.4	0	0	0	0	112.1	D268 Q272 Y387 R390	D268-S270 PolarHBondContact O-N 2.86Å; D268-S270 VanDerWaalsContact O-N 3.09Å; D268-S270 VanDerWaalsContact OD1-CA 3.28Å; D268-S270 WeakPolarHBondContact OD1-CA 3.39Å; D268-S270 WeakPolarHBondContact OD1-CB 3.37Å; D268-S270 PolarHBondContact OD1-N 3.37Å; D268-S270 WeakPolarHBondContact OD2-CB 3.38Å; D268-S270 PolarHBondContact OD2-OG 3.17Å; S270-Q272 PolarHBondContact O-N 2.91Å; S270-Y387 WeakPolarHBondContact O-CE2 3.38Å; S270-R390 WeakPolarHBondContact OG-CD 3.44Å
271	L	94.1	Very high	91.8	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.047	24%	0.239	C	C	.	.			trans	58.5	35.1	-175.3	-56.5	177	0	0	0	112.5	F267 D268 L328 L375 A376 L380 Y387	F267-L271 HydrophobicContact CD2-CD2 3.87Å; F267-L271 HydrophobicContact CE2-CD2 3.99Å; D268-L271 WeakPolarHBondContact O-CA 3.26Å; D268-L271 PolarHBondContact O-N 3.49Å; D268-L271 PolarHBondContact OD1-N 2.66Å; L271-L328 HydrophobicContact CB-CD1 4.04Å; L271-L328 VanDerWaalsContact O-CD1 3.23Å; L271-L328 WeakPolarHBondContact O-CD1 3.31Å; L271-L375 HydrophobicContact CD1-CD2 3.88Å; L271-L375 HydrophobicContact CD2-CD2 4.35Å; L271-A376 HydrophobicContact CD1-CB 4.3Å; L271-L380 HydrophobicContact CD1-CD1 4.07Å; L271-L380 HydrophobicContact CD2-CD1 3.85Å; L271-Y387 HydrophobicContact CB-CD2 4.36Å; L271-Y387 HydrophobicContact CB-CE2 4.33Å; L271-Y387 HydrophobicContact CD1-CD1 3.74Å; L271-Y387 HydrophobicContact CD1-CD2 3.79Å; L271-Y387 HydrophobicContact CD1-CE1 3.96Å; L271-Y387 HydrophobicContact CD1-CE2 4.03Å; L271-Y387 HydrophobicContact CD1-CG 3.65Å; L271-Y387 HydrophobicContact CG-CD2 3.74Å; L271-Y387 HydrophobicContact CG-CE2 4.14Å; L271-Y387 HydrophobicContact CG-CG 3.99Å
272	Q	90.8	Very high	92	Very high	129 Å²	129	42.1 Å²	42.1	60%	0.603	21%	0.211	S	C	*	.			trans	-96.8	135.7	171.9	-62.4	-173.4	11.3	0	0	110	F267 D268 S270	F267-Q272 WeakPolarHBondContact CA-O 3.47Å; F267-Q272 WeakPolarHBondContact CB-O 3.48Å; D268-Q272 PolarHBondContact N-O 2.85Å; D268-Q272 VanDerWaalsContact N-O 3.13Å; D268-Q272 WeakPolarHBondContact OD1-CB 3.3Å; D268-Q272 PolarHBondContact OD1-N 2.79Å; S270-Q272 PolarHBondContact O-N 2.91Å
273	F	93	Very high	92	Very high	57 Å²	57	48 Å²	48	25%	0.25	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	138.1	174.7	173.2	-91.6	0	0	0	111.2	W275 T297 M298 A299	F273-W275 AromaticContact CE1-CD2 3.81Å; F273-W275 HydrophobicContact CE1-CD2 3.81Å; F273-W275 AromaticContact CE1-CE2 3.53Å; F273-W275 HydrophobicContact CE1-CE3 4.4Å; F273-W275 HydrophobicContact CE1-CG 4.11Å; F273-W275 AromaticContact CE1-CZ2 3.92Å; F273-W275 HydrophobicContact CE1-CZ2 3.92Å; F273-W275 AromaticContact CE1-NE1 3.66Å; F273-W275 AromaticContact CZ-CD2 3.78Å; F273-W275 HydrophobicContact CZ-CD2 3.78Å; F273-W275 AromaticContact CZ-CE2 3.75Å; F273-W275 AromaticContact CZ-CE3 3.89Å; F273-W275 HydrophobicContact CZ-CE3 3.89Å; F273-W275 HydrophobicContact CZ-CG 4.42Å; F273-W275 AromaticContact CZ-CH2 3.99Å; F273-W275 HydrophobicContact CZ-CH2 3.99Å; F273-W275 AromaticContact CZ-CZ2 3.87Å; F273-W275 HydrophobicContact CZ-CZ2 3.87Å; F273-W275 HydrophobicContact CZ-CZ3 4Å; F273-T297 WeakPolarHBondContact CD2-OG1 3.37Å; F273-T297 WeakPolarHBondContact CE2-OG1 3.47Å; F273-M298 WeakPolarHBondContact CD2-O 3.45Å; F273-A299 HydrophobicContact CE1-CB 3.97Å; F273-A299 HydrophobicContact CE2-CB 4.37Å; F273-A299 VanDerWaalsContact CE2-N 3.33Å; F273-A299 HydrophobicContact CZ-CB 3.84Å
274	S	91	Very high	91.9	Very high	26 Å²	26	51.7 Å²	51.7	18%	0.182	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.7	176.6	43	0	0	0	0	110.7	G266 H276 E489	G266-S274 PolarHBondContact N-O 3.02Å; G266-S274 PolarHBondContact O-N 3.44Å; S274-H276 PolarHBondContact O-CD2 3.4Å; S274-H276 PolarHBondContact OG-NE2 2.9Å; S274-E489 PolarHBondContact OG-OE1 2.79Å
275	W	91.4	Very high	91.6	Very high	92 Å²	92	57.7 Å²	57.7	35%	0.348	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133	174.2	-68.3	110.9	0	0	0	110.5	I244 Q263 F273 A299 I343	I244-W275 HydrophobicContact CD1-CH2 4.32Å; I244-W275 HydrophobicContact CD1-CZ2 4.42Å; Q263-W275 HydrophobicContact CB-CB 4.26Å; Q263-W275 HydrophobicContact CB-CD2 4.47Å; Q263-W275 HydrophobicContact CB-CE3 3.85Å; Q263-W275 VanDerWaalsContact OE1-CB 3.31Å; F273-W275 AromaticContact CE1-CD2 3.81Å; F273-W275 HydrophobicContact CE1-CD2 3.81Å; F273-W275 AromaticContact CE1-CE2 3.53Å; F273-W275 HydrophobicContact CE1-CE3 4.4Å; F273-W275 HydrophobicContact CE1-CG 4.11Å; F273-W275 AromaticContact CE1-CZ2 3.92Å; F273-W275 HydrophobicContact CE1-CZ2 3.92Å; F273-W275 AromaticContact CE1-NE1 3.66Å; F273-W275 AromaticContact CZ-CD2 3.78Å; F273-W275 HydrophobicContact CZ-CD2 3.78Å; F273-W275 AromaticContact CZ-CE2 3.75Å; F273-W275 AromaticContact CZ-CE3 3.89Å; F273-W275 HydrophobicContact CZ-CE3 3.89Å; F273-W275 HydrophobicContact CZ-CG 4.42Å; F273-W275 AromaticContact CZ-CH2 3.99Å; F273-W275 HydrophobicContact CZ-CH2 3.99Å; F273-W275 AromaticContact CZ-CZ2 3.87Å; F273-W275 HydrophobicContact CZ-CZ2 3.87Å; F273-W275 HydrophobicContact CZ-CZ3 4Å; W275-A299 HydrophobicContact CH2-CB 4.2Å; W275-A299 HydrophobicContact CZ2-CB 3.94Å; W275-I343 HydrophobicContact CZ3-CD1 4.38Å
276	H	91.1	Very high	91.3	Very high	40 Å²	40	59.6 Å²	59.6	19%	0.185	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.5	-179.2	-61.1	-97.6	0	0	0	111.7	Q263 V264 G266 S274 Y424 E489	Q263-H276 CarbonylContact C-O 3.49Å; Q263-H276 VanDerWaalsContact CA-O 3.26Å; Q263-H276 WeakPolarHBondContact CA-O 3.35Å; Q263-H276 VanDerWaalsContact CB-O 3.31Å; Q263-H276 WeakPolarHBondContact CB-O 3.41Å; V264-H276 HydrophobicContact CG2-CB 4.07Å; V264-H276 PolarHBondContact N-O 3.43Å; V264-H276 PolarHBondContact O-N 3.44Å; G266-H276 PolarHBondContact N-CD2 2.85Å; S274-H276 PolarHBondContact O-CD2 3.4Å; S274-H276 PolarHBondContact OG-NE2 2.9Å; H276-Y424 PolarHBondContact CE1-OH 3.44Å; H276-Y424 VanDerWaalsContact CE1-OH 3.24Å; H276-Y424 PolarHBondContact NE2-OH 2.79Å; H276-Y424 VanDerWaalsContact NE2-OH 3.16Å; H276-E489 IonicContact CE1-OE1 2.77Å; H276-E489 PolarHBondContact CE1-OE1 3.24Å; H276-E489 IonicContact CE1-OE2 3.7Å; H276-E489 IonicContact NE2-OE1 3.72Å; H276-E489 PolarHBondContact NE2-OE1 2.77Å
277	S	90.7	Very high	91.1	Very high	98 Å²	98	69.4 Å²	69.4	69%	0.685	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	150.4	165	54.7	0	0	0	0	110.7	P279	S277-P279 WeakPolarHBondContact O-CD 3.5Å
278	I	91.9	Very high	91	Very high	21 Å²	21	72.1 Å²	72.1	11%	0.108	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-56.4	121.6	177.2	-55.4	179.1	0	0	0	110.3	T262 V282 R283 R286 L293	T262-I278 WeakPolarHBondContact O-CD1 3.49Å; T262-I278 VanDerWaalsContact O-CG1 3.27Å; T262-I278 WeakPolarHBondContact O-CG1 3.34Å; I278-V282 HydrophobicContact CG2-CB 4.08Å; I278-V282 HydrophobicContact CG2-CG1 4.12Å; I278-R283 HydrophobicContact CG2-CB 4.11Å; I278-R286 VanDerWaalsContact CD1-NH1 3.33Å; I278-L293 HydrophobicContact CD1-CD1 3.89Å; I278-L293 HydrophobicContact CD1-CD2 3.7Å; I278-L293 HydrophobicContact CD1-CG 4.45Å; I278-L293 HydrophobicContact CG1-CD1 4.03Å; I278-L293 HydrophobicContact CG1-CD2 3.84Å; I278-L293 HydrophobicContact CG2-CD1 3.76Å
279	P	89.6	Confident	91	Very high	21 Å²	21	75.3 Å²	75.3	14%	0.136	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-58.8	145.4	175.1	-26.2	35.3	0	0	0	112	S277 R281 V282 R283 E426	S277-P279 WeakPolarHBondContact O-CD 3.5Å; P279-R281 PolarHBondContact O-N 2.7Å; P279-V282 HydrophobicContact CB-CG2 4.29Å; P279-V282 HydrophobicContact CG-CG2 4.43Å; P279-V282 PolarHBondContact O-N 2.71Å; P279-R283 PolarHBondContact O-N 2.86Å; P279-E426 HydrophobicContact CB-CG 3.93Å; P279-E426 WeakPolarHBondContact CB-OE1 3.5Å; P279-E426 HydrophobicContact CG-CG 4.15Å
280	Q	88.6	Confident	90.9	Very high	114 Å²	114	77.8 Å²	77.8	53%	0.533	38%	0.376	S	S	.	.	H	α-helix	trans	-66.3	-27.4	-174.8	-148.6	63	-13.1	0	0	113.2	R283 K284	Q280-R283 PolarHBondContact O-N 3.15Å; Q280-K284 VanDerWaalsContact O-CG 3.27Å; Q280-K284 WeakPolarHBondContact O-CG 3.34Å; Q280-K284 PolarHBondContact O-N 3.32Å; Q280-K284 VanDerWaalsContact O-N 3.08Å
281	R	91.1	Very high	91.1	Very high	91 Å²	91	78.3 Å²	78.3	34%	0.343	38%	0.376	S	S	.	.	H	α-helix	trans	-57.8	-50.5	169.4	178.8	-179.5	59.9	86.8	-1.3	111.3	P279 L285 V423 E426	P279-R281 PolarHBondContact O-N 2.7Å; R281-L285 WeakPolarHBondContact O-CG 3.31Å; R281-V423 PolarHBondContact NH2-O 2.68Å; R281-E426 IonicContact CZ-OE1 2.78Å; R281-E426 IonicContact NE-OE1 3.24Å; R281-E426 PolarHBondContact NE-OE1 3.13Å; R281-E426 IonicContact NH2-OE1 3.5Å; R281-E426 PolarHBondContact NH2-OE1 3.04Å; R281-E426 IonicContact NH2-OE2 2.79Å
282	V	91.3	Very high	91.2	Very high	10 Å²	10	80.2 Å²	80.2	6%	0.061	39%	0.389	C	S	.	.	H	α-helix	trans	-68.3	-41.8	179	-179.1	0	0	0	0	110.7	I278 P279 K284 L285 R286 L293	I278-V282 HydrophobicContact CG2-CB 4.08Å; I278-V282 HydrophobicContact CG2-CG1 4.12Å; P279-V282 HydrophobicContact CB-CG2 4.29Å; P279-V282 HydrophobicContact CG-CG2 4.43Å; P279-V282 PolarHBondContact O-N 2.71Å; V282-K284 VanDerWaalsContact C-N 3.29Å; V282-K284 PolarHBondContact O-N 3.02Å; V282-L285 PolarHBondContact O-N 3.13Å; V282-L285 VanDerWaalsContact O-N 3.12Å; V282-R286 WeakPolarHBondContact O-CG 3.26Å; V282-L293 HydrophobicContact CG1-CD1 3.6Å
283	R	90.3	Very high	91.4	Very high	130 Å²	130	74 Å²	74	49%	0.491	36%	0.36	S	S	.	.	H	α-helix	trans	-58.8	-38.9	178.9	-163.2	175.9	-170.1	156.7	4.4	112.8	I278 P279 Q280 L285 R286	I278-R283 HydrophobicContact CG2-CB 4.11Å; P279-R283 PolarHBondContact O-N 2.86Å; Q280-R283 PolarHBondContact O-N 3.15Å; R283-L285 VanDerWaalsContact C-N 3.32Å; R283-L285 PolarHBondContact O-N 2.91Å; R283-R286 PolarHBondContact O-N 3.2Å
284	K	90.9	Very high	91.6	Very high	173 Å²	173	73.4 Å²	73.4	75%	0.752	36%	0.358	S	S	*	.	H	α-helix	trans	-69.1	-25.6	178.4	-75	174	-178.9	-178.4	0	113.9	Q280 V282 R286	Q280-K284 VanDerWaalsContact O-CG 3.27Å; Q280-K284 WeakPolarHBondContact O-CG 3.34Å; Q280-K284 PolarHBondContact O-N 3.32Å; Q280-K284 VanDerWaalsContact O-N 3.08Å; V282-K284 VanDerWaalsContact C-N 3.29Å; V282-K284 PolarHBondContact O-N 3.02Å; K284-R286 VanDerWaalsContact C-N 3.34Å
285	L	90	Very high	91.9	Very high	128 Å²	128	72.2 Å²	72.2	67%	0.67	35%	0.349	S	S	*	.	H	α-helix	trans	-80.4	-17.1	179.8	-66.6	172.3	0	0	0	112.8	R281 V282 R283	R281-L285 WeakPolarHBondContact O-CG 3.31Å; V282-L285 PolarHBondContact O-N 3.13Å; V282-L285 VanDerWaalsContact O-N 3.12Å; R283-L285 VanDerWaalsContact C-N 3.32Å; R283-L285 PolarHBondContact O-N 2.91Å
286	R	91.4	Very high	92.2	Very high	41 Å²	41	68.1 Å²	68.1	16%	0.155	34%	0.335	C	S	.	.			trans	-86.5	134.5	-177.9	-62.2	170.6	76.4	-148.6	2.6	110.3	I278 V282 R283 K284 E289 D291	I278-R286 VanDerWaalsContact CD1-NH1 3.33Å; V282-R286 WeakPolarHBondContact O-CG 3.26Å; R283-R286 PolarHBondContact O-N 3.2Å; K284-R286 VanDerWaalsContact C-N 3.34Å; R286-E289 PolarHBondContact NH2-O 3.31Å; R286-D291 HydrophobicContact CB-CB 4.38Å; R286-D291 HydrophobicContact CG-CB 4.43Å; R286-D291 PolarHBondContact NE-O 3.38Å; R286-D291 PolarHBondContact NH2-O 3.11Å
287	K	91.3	Very high	92.5	Very high	207 Å²	207	66.2 Å²	66.2	90%	0.9	33%	0.326	S	S	*	.	S	Bend	trans	-85	-28.2	174.3	-62.6	178.9	-178.1	176.6	0	111.1	D291	K287-D291 WeakPolarHBondContact CA-OD2 3.08Å; K287-D291 PolarHBondContact N-OD2 3.38Å
288	S	90.9	Very high	92.9	Very high	56 Å²	56	61.8 Å²	61.8	39%	0.392	29%	0.294	S	S	.	.	S	Bend	trans	-139.2	154.1	-178.6	-173.6	0	0	0	0	112.2	V290 D291	S288-V290 PolarHBondContact O-N 3.37Å; S288-V290 WeakPolarHBondContact OG-CG2 3.43Å; S288-D291 PolarHBondContact N-OD2 2.66Å; S288-D291 WeakPolarHBondContact O-CB 3.5Å; S288-D291 PolarHBondContact O-N 2.79Å
289	E	90.4	Very high	93.1	Very high	97 Å²	97	62.5 Å²	62.5	45%	0.453	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.7	175	-63.2	-167.6	149.2	0	0	113.2	A259 S260 R286	A259-E289 HydrophobicContact CB-CB 4.17Å; S260-E289 WeakPolarHBondContact CB-OE1 3.39Å; S260-E289 WeakPolarHBondContact CB-OE2 3.39Å; R286-E289 PolarHBondContact NH2-O 3.31Å
290	V	90.8	Very high	93.2	Very high	56 Å²	56	61.6 Å²	61.6	34%	0.339	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-1.9	177.3	-61.8	0	0	0	0	114.1	I115 A259 S288	I115-V290 HydrophobicContact CD1-CG2 4.34Å; A259-V290 HydrophobicContact CB-CG1 4.14Å; S288-V290 PolarHBondContact O-N 3.37Å; S288-V290 WeakPolarHBondContact OG-CG2 3.43Å
291	D	93.2	Very high	93.4	Very high	49 Å²	49	56.6 Å²	56.6	26%	0.262	28%	0.277	S	S	.	.	S	Bend	trans	-62.6	145.7	175.7	-69	-14.6	0	0	0	110.3	R286 K287 S288 L293 P345	R286-D291 HydrophobicContact CB-CB 4.38Å; R286-D291 HydrophobicContact CG-CB 4.43Å; R286-D291 PolarHBondContact NE-O 3.38Å; R286-D291 PolarHBondContact NH2-O 3.11Å; K287-D291 WeakPolarHBondContact CA-OD2 3.08Å; K287-D291 PolarHBondContact N-OD2 3.38Å; S288-D291 PolarHBondContact N-OD2 2.66Å; S288-D291 WeakPolarHBondContact O-CB 3.5Å; S288-D291 PolarHBondContact O-N 2.79Å; D291-L293 PolarHBondContact O-N 3.21Å; D291-P345 WeakPolarHBondContact O-CG 3.46Å
292	P	94.8	Very high	93.8	Very high	48 Å²	48	52.4 Å²	52.4	31%	0.312	26%	0.261	S	S	.	.			trans	-48.4	135.7	173.5	-26.9	34.7	0	0	0	111.7	E342 I344	P292-E342 HydrophobicContact CB-CB 4.43Å; P292-E342 WeakPolarHBondContact CB-OE2 3.5Å; P292-I344 HydrophobicContact CB-CD1 3.81Å; P292-I344 HydrophobicContact CG-CD1 4.19Å
293	L	95.7	Very high	94.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	111.6	-172.9	176.1	64.4	0	0	0	109.5	T262 V264 I278 V282 D291 S295 E342 I343	T262-L293 HydrophobicContact CG2-CD2 3.6Å; V264-L293 HydrophobicContact CG1-CD1 4Å; V264-L293 HydrophobicContact CG1-CD2 3.54Å; V264-L293 HydrophobicContact CG1-CG 3.63Å; I278-L293 HydrophobicContact CD1-CD1 3.89Å; I278-L293 HydrophobicContact CD1-CD2 3.7Å; I278-L293 HydrophobicContact CD1-CG 4.45Å; I278-L293 HydrophobicContact CG1-CD1 4.03Å; I278-L293 HydrophobicContact CG1-CD2 3.84Å; I278-L293 HydrophobicContact CG2-CD1 3.76Å; V282-L293 HydrophobicContact CG1-CD1 3.6Å; D291-L293 PolarHBondContact O-N 3.21Å; L293-S295 PolarHBondContact O-N 3.19Å; L293-E342 CarbonylContact O-C 3.5Å; L293-E342 VanDerWaalsContact O-CA 3.31Å; L293-E342 WeakPolarHBondContact O-CA 3.1Å; L293-I343 HydrophobicContact CB-CB 4.39Å; L293-I343 WeakPolarHBondContact CB-O 3.39Å; L293-I343 PolarHBondContact N-O 3.44Å; L293-I343 PolarHBondContact O-N 3.43Å
294	E	96.3	Very high	94.5	Very high	43 Å²	43	45.8 Å²	45.8	20%	0.201	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	134	174.3	-61.1	-171.2	131.4	0	0	111	V264 W335 R340	V264-E294 WeakPolarHBondContact CG1-O 3.4Å; E294-W335 HydrophobicContact CB-CH2 4.2Å; E294-W335 HydrophobicContact CB-CZ2 4.27Å; E294-W335 HydrophobicContact CG-CH2 4.24Å; E294-R340 IonicContact OE1-CZ 3.24Å; E294-R340 VanDerWaalsContact OE1-CZ 3.24Å; E294-R340 IonicContact OE1-NE 2.96Å; E294-R340 PolarHBondContact OE1-NE 3.27Å; E294-R340 VanDerWaalsContact OE1-NE 3.13Å; E294-R340 IonicContact OE1-NH2 2.62Å; E294-R340 PolarHBondContact OE1-NH2 2.99Å
295	S	97.8	Very high	94.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	20%	0.199	C	C	.	.			trans	-128	125.9	-178	-169.4	0	0	0	0	110	G265 L293 T297 W335 L341	G265-S295 PolarHBondContact N-OG 3.08Å; L293-S295 PolarHBondContact O-N 3.19Å; S295-T297 VanDerWaalsContact C-N 3.29Å; S295-T297 WeakPolarHBondContact CB-O 3.39Å; S295-T297 PolarHBondContact O-N 3.31Å; S295-T297 PolarHBondContact OG-O 2.85Å; S295-W335 PolarHBondContact O-NE1 2.86Å; S295-L341 PolarHBondContact N-O 3.36Å
296	P	98.1	Very high	95.3	Very high	7 Å²	7	32 Å²	32	5%	0.045	17%	0.171	C	C	.	.	S	Bend	trans	-53.7	-45.8	175.6	-29.1	34.5	0	0	0	113.1	G265 W335 Y419 V423 Y424	G265-P296 WeakPolarHBondContact O-CB 3.38Å; G265-P296 VanDerWaalsContact O-CD 3.24Å; G265-P296 WeakPolarHBondContact O-CD 3.36Å; P296-W335 PolarHBondContact O-NE1 2.94Å; P296-Y419 WeakPolarHBondContact CB-OH 3.45Å; P296-Y419 PolarHBondContact O-OH 3.31Å; P296-V423 HydrophobicContact CB-CG1 4.32Å; P296-Y424 HydrophobicContact CB-CD1 3.93Å; P296-Y424 HydrophobicContact CB-CD2 4.19Å; P296-Y424 HydrophobicContact CB-CG 3.74Å; P296-Y424 HydrophobicContact CG-CD1 4.3Å; P296-Y424 HydrophobicContact CG-CD2 3.65Å; P296-Y424 HydrophobicContact CG-CE2 4.21Å; P296-Y424 HydrophobicContact CG-CG 3.71Å
297	T	98.4	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-131.5	169.6	178.6	72.3	0	0	0	0	111	G265 G266 F267 F273 S295 L328 S331 F332	G265-T297 WeakPolarHBondContact CA-O 3.44Å; G265-T297 WeakPolarHBondContact CA-OG1 3.34Å; G265-T297 PolarHBondContact O-N 2.95Å; G265-T297 VanDerWaalsContact O-N 3.13Å; G265-T297 PolarHBondContact O-OG1 2.85Å; G266-T297 PolarHBondContact N-OG1 3.43Å; G266-T297 VanDerWaalsContact N-OG1 3.15Å; G266-T297 PolarHBondContact O-OG1 3.46Å; F267-T297 HydrophobicContact CD1-CG2 3.72Å; F267-T297 HydrophobicContact CE1-CG2 4.49Å; F273-T297 WeakPolarHBondContact CD2-OG1 3.37Å; F273-T297 WeakPolarHBondContact CE2-OG1 3.47Å; S295-T297 VanDerWaalsContact C-N 3.29Å; S295-T297 WeakPolarHBondContact CB-O 3.39Å; S295-T297 PolarHBondContact O-N 3.31Å; S295-T297 PolarHBondContact OG-O 2.85Å; T297-L328 HydrophobicContact CG2-CD2 3.63Å; T297-S331 WeakPolarHBondContact CA-OG 3.5Å; T297-F332 HydrophobicContact CG2-CE1 4.45Å
298	M	97.7	Very high	96	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.025	16%	0.164	C	C	.	.			trans	-120.7	156.7	168.3	58.2	163.1	176.8	0	0	111.4	C241 F273 G300 F303 N327 I330 S331 L341	C241-M298 VanDerWaalsContact SG-CB 3.6Å; F273-M298 WeakPolarHBondContact CD2-O 3.45Å; M298-G300 PolarHBondContact O-N 3.14Å; M298-F303 HydrophobicContact CE-CD1 3.87Å; M298-F303 HydrophobicContact CE-CD2 4.12Å; M298-F303 HydrophobicContact CE-CE1 3.95Å; M298-F303 HydrophobicContact CE-CE2 4.18Å; M298-F303 HydrophobicContact CE-CG 3.96Å; M298-F303 HydrophobicContact CE-CZ 4.1Å; M298-F303 HydrophobicContact SD-CB 3.82Å; M298-F303 HydrophobicContact SD-CD1 3.85Å; M298-F303 HydrophobicContact SD-CD2 4.35Å; M298-F303 HydrophobicContact SD-CG 3.76Å; M298-N327 WeakPolarHBondContact O-CB 3.41Å; M298-N327 PolarHBondContact O-ND2 3.13Å; M298-I330 HydrophobicContact CE-CG2 3.15Å; M298-S331 PolarHBondContact N-OG 2.91Å; M298-S331 VanDerWaalsContact N-OG 3.16Å; M298-L341 HydrophobicContact CB-CD1 4.26Å; M298-L341 HydrophobicContact CB-CD2 4.01Å; M298-L341 HydrophobicContact CG-CD1 4.3Å; M298-L341 HydrophobicContact CG-CD2 4.11Å; M298-L341 HydrophobicContact SD-CD1 4.3Å
299	A	95.7	Very high	96.4	Very high	35 Å²	35	29.6 Å²	29.6	29%	0.289	15%	0.147	S	C	.	.			trans	-61.2	-29.9	170.8	0	0	0	0	0	111.5	I244 F273 W275 G301 N327	I244-A299 HydrophobicContact CD1-CB 4.01Å; F273-A299 HydrophobicContact CE1-CB 3.97Å; F273-A299 HydrophobicContact CE2-CB 4.37Å; F273-A299 VanDerWaalsContact CE2-N 3.33Å; F273-A299 HydrophobicContact CZ-CB 3.84Å; W275-A299 HydrophobicContact CH2-CB 4.2Å; W275-A299 HydrophobicContact CZ2-CB 3.94Å; A299-G301 VanDerWaalsContact C-N 3.33Å; A299-G301 PolarHBondContact O-N 3.44Å; A299-N327 WeakPolarHBondContact O-CB 3.49Å
300	G	92.7	Very high	96.8	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.021	13%	0.127	C	C	.	.	S	Bend	trans	87.8	-13.7	173.4	0	0	0	0	0	115.1	R199 M298	R199-G300 VanDerWaalsContact CZ-O 3.24Å; R199-G300 PolarHBondContact NH1-O 3.49Å; R199-G300 PolarHBondContact NH2-O 3.35Å; M298-G300 PolarHBondContact O-N 3.14Å
301	G	93.6	Very high	97.1	Very high	10 Å²	10	27.5 Å²	27.5	10%	0.103	13%	0.134	C	C	.	.	S	Bend	trans	-60.9	-50.2	174.5	0	0	0	0	0	113	R199 A299	R199-G301 VanDerWaalsContact NH2-CA 3.29Å; R199-G301 PolarHBondContact NH2-O 2.93Å; A299-G301 VanDerWaalsContact C-N 3.33Å; A299-G301 PolarHBondContact O-N 3.44Å
302	L	98.3	Very high	97.3	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	14%	0.143	C	C	.	.	S	Bend	trans	-129.1	115.9	-167.5	-66.7	70.2	0	0	0	110.3	F213 L214 D215 P242 I244 V349	F213-L302 VanDerWaalsContact O-CA 3.31Å; F213-L302 WeakPolarHBondContact O-CA 3.44Å; L214-L302 HydrophobicContact CD2-CB 4.21Å; L214-L302 HydrophobicContact CD2-CD2 3.89Å; L214-L302 HydrophobicContact CD2-CG 3.81Å; D215-L302 HydrophobicContact CB-CD1 4.41Å; P242-L302 WeakPolarHBondContact CD-O 3.31Å; P242-L302 HydrophobicContact CG-CB 3.91Å; P242-L302 HydrophobicContact CG-CD2 4.25Å; I244-L302 HydrophobicContact CD1-CB 4.43Å; I244-L302 HydrophobicContact CD1-CD1 4.42Å; I244-L302 HydrophobicContact CG1-CD2 4.49Å; L302-V349 HydrophobicContact CD2-CB 3.61Å; L302-V349 HydrophobicContact CD2-CG1 3.35Å; L302-V349 HydrophobicContact CD2-CG2 4.41Å
303	F	98.8	Very high	97.5	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	161.6	176.3	68.5	-78.6	0	0	0	111.6	T212 F213 V239 V240 M298 I305 Y316	T212-F303 CarbonylContact C-O 3.54Å; T212-F303 WeakPolarHBondContact CA-O 3.46Å; F213-F303 HydrophobicContact CB-CD1 4.12Å; F213-F303 HydrophobicContact CB-CE1 3.91Å; F213-F303 HydrophobicContact CB-CZ 4.48Å; F213-F303 HydrophobicContact CD2-CD1 4.18Å; F213-F303 HydrophobicContact CD2-CD2 4.21Å; F213-F303 AromaticContact CD2-CE1 3.55Å; F213-F303 HydrophobicContact CD2-CE1 3.55Å; F213-F303 AromaticContact CD2-CE2 3.61Å; F213-F303 HydrophobicContact CD2-CE2 3.61Å; F213-F303 HydrophobicContact CD2-CG 4.47Å; F213-F303 AromaticContact CD2-CZ 3.23Å; F213-F303 HydrophobicContact CD2-CZ 3.23Å; F213-F303 HydrophobicContact CE2-CE1 4.33Å; F213-F303 AromaticContact CE2-CE2 3.87Å; F213-F303 HydrophobicContact CE2-CE2 3.87Å; F213-F303 AromaticContact CE2-CZ 3.6Å; F213-F303 HydrophobicContact CE2-CZ 3.6Å; F213-F303 AromaticContact CG-CE1 3.9Å; F213-F303 HydrophobicContact CG-CE1 3.9Å; F213-F303 HydrophobicContact CG-CZ 4.01Å; F213-F303 PolarHBondContact N-O 3.43Å; F213-F303 PolarHBondContact O-N 2.86Å; V239-F303 HydrophobicContact CG1-CD2 3.85Å; V240-F303 CarbonylContact O-C 3.52Å; V240-F303 VanDerWaalsContact O-CA 3.26Å; V240-F303 WeakPolarHBondContact O-CA 3.44Å; M298-F303 HydrophobicContact CE-CD1 3.87Å; M298-F303 HydrophobicContact CE-CD2 4.12Å; M298-F303 HydrophobicContact CE-CE1 3.95Å; M298-F303 HydrophobicContact CE-CE2 4.18Å; M298-F303 HydrophobicContact CE-CG 3.96Å; M298-F303 HydrophobicContact CE-CZ 4.1Å; M298-F303 HydrophobicContact SD-CB 3.82Å; M298-F303 HydrophobicContact SD-CD1 3.85Å; M298-F303 HydrophobicContact SD-CD2 4.35Å; M298-F303 HydrophobicContact SD-CG 3.76Å; F303-I305 HydrophobicContact CD2-CB 4.34Å; F303-I305 HydrophobicContact CD2-CG2 4.26Å; F303-I305 HydrophobicContact CE2-CB 4.27Å; F303-I305 HydrophobicContact CE2-CG2 3.8Å; F303-Y316 WeakPolarHBondContact CE1-OH 3.46Å; F303-Y316 WeakPolarHBondContact CZ-OH 3.49Å
304	S	98.9	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.7	171.4	-58	0	0	0	0	111.2	L211 T212 V240	L211-S304 CarbonylContact O-C 3.49Å; L211-S304 WeakPolarHBondContact O-CA 3.48Å; T212-S304 WeakPolarHBondContact CB-OG 3.24Å; T212-S304 WeakPolarHBondContact CG2-OG 3.37Å; T212-S304 PolarHBondContact OG1-OG 2.93Å; V240-S304 PolarHBondContact N-O 3.15Å; V240-S304 PolarHBondContact O-N 3.37Å
305	I	98.9	Very high	97.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.6	-179	-173.9	164.4	0	0	0	110.3	V210 L211 F213 V239 F303 R307 Y309 F310 L313	V210-I305 WeakPolarHBondContact CA-O 3.13Å; V210-I305 WeakPolarHBondContact CG1-O 3.43Å; L211-I305 HydrophobicContact CB-CG2 4.13Å; L211-I305 PolarHBondContact N-O 3.43Å; L211-I305 PolarHBondContact O-N 2.92Å; F213-I305 HydrophobicContact CE2-CG2 4.27Å; V239-I305 HydrophobicContact CG1-CB 4.22Å; V239-I305 HydrophobicContact CG1-CD1 4.37Å; V239-I305 HydrophobicContact CG2-CB 4.34Å; V239-I305 HydrophobicContact CG2-CD1 3.52Å; V239-I305 HydrophobicContact CG2-CG1 3.77Å; F303-I305 HydrophobicContact CD2-CB 4.34Å; F303-I305 HydrophobicContact CD2-CG2 4.26Å; F303-I305 HydrophobicContact CE2-CB 4.27Å; F303-I305 HydrophobicContact CE2-CG2 3.8Å; I305-R307 PolarHBondContact O-N 3.16Å; I305-Y309 HydrophobicContact CD1-CD1 3.99Å; I305-Y309 HydrophobicContact CG1-CD1 4.08Å; I305-F310 HydrophobicContact CD1-CB 3.96Å; I305-F310 HydrophobicContact CD1-CD2 4.1Å; I305-F310 HydrophobicContact CG1-CB 4.18Å; I305-F310 HydrophobicContact CG2-CB 3.97Å; I305-F310 HydrophobicContact CG2-CD2 4.2Å; I305-F310 HydrophobicContact CG2-CG 4.27Å; I305-L313 HydrophobicContact CD1-CD1 4.39Å
306	D	98.8	Very high	97.6	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.064	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	130.8	169.6	178.4	-81	0	0	0	110	I232 Q236 R308 Y309 F310	I232-D306 HydrophobicContact CG2-CB 3.9Å; Q236-D306 HydrophobicContact CB-CB 4.22Å; Q236-D306 WeakPolarHBondContact O-CB 3.27Å; D306-R308 VanDerWaalsContact C-N 3.31Å; D306-R308 PolarHBondContact O-N 2.89Å; D306-R308 WeakPolarHBondContact OD1-CA 3.3Å; D306-R308 VanDerWaalsContact OD1-CB 3.28Å; D306-R308 WeakPolarHBondContact OD1-CB 3.24Å; D306-R308 PolarHBondContact OD1-N 3.13Å; D306-Y309 PolarHBondContact O-N 3.41Å; D306-Y309 VanDerWaalsContact O-N 3.15Å; D306-Y309 PolarHBondContact OD1-N 3.01Å; D306-F310 PolarHBondContact O-N 2.97Å
307	R	98.7	Very high	97.6	Very high	65 Å²	65	27.7 Å²	27.7	25%	0.245	14%	0.136	C	C	.	.	H	α-helix	trans	-61.7	-39.7	-174	-175.8	176.1	64.1	80.5	-5.1	112	G208 Q209 L211 I305 F310 E311	G208-R307 PolarHBondContact O-NE 3.18Å; G208-R307 VanDerWaalsContact O-NE 3.15Å; Q209-R307 VanDerWaalsContact O-CB 3.32Å; Q209-R307 WeakPolarHBondContact O-CB 3.42Å; Q209-R307 PolarHBondContact O-N 2.63Å; L211-R307 HydrophobicContact CD1-CB 4.44Å; L211-R307 HydrophobicContact CD1-CG 4.14Å; L211-R307 HydrophobicContact CD2-CB 4.15Å; L211-R307 HydrophobicContact CD2-CG 3.93Å; L211-R307 HydrophobicContact CG-CB 3.92Å; L211-R307 HydrophobicContact CG-CG 3.99Å; I305-R307 PolarHBondContact O-N 3.16Å; R307-F310 PolarHBondContact O-N 3.31Å; R307-E311 IonicContact CZ-OE1 3.23Å; R307-E311 IonicContact NH1-OE1 2.94Å; R307-E311 PolarHBondContact NH1-OE1 3.32Å; R307-E311 IonicContact NH1-OE2 2.98Å; R307-E311 WeakPolarHBondContact O-CG 3.38Å; R307-E311 PolarHBondContact O-N 3.13Å; R307-E311 VanDerWaalsContact O-N 3.08Å
308	R	98.4	Very high	97.4	Very high	177 Å²	177	31.1 Å²	31.1	67%	0.668	16%	0.158	S	C	*	.	H	α-helix	trans	-69.9	-37.1	178.2	-61.1	177.8	176.1	175.7	-0.8	110.4	D306 E311 H312	D306-R308 VanDerWaalsContact C-N 3.31Å; D306-R308 PolarHBondContact O-N 2.89Å; D306-R308 WeakPolarHBondContact OD1-CA 3.3Å; D306-R308 VanDerWaalsContact OD1-CB 3.28Å; D306-R308 WeakPolarHBondContact OD1-CB 3.24Å; D306-R308 PolarHBondContact OD1-N 3.13Å; R308-E311 PolarHBondContact O-N 3.46Å; R308-H312 VanDerWaalsContact O-CB 3.27Å; R308-H312 WeakPolarHBondContact O-CB 3.41Å; R308-H312 PolarHBondContact O-N 3.4Å
309	Y	98.6	Very high	97.2	Very high	11 Å²	11	31.6 Å²	31.6	4%	0.043	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-39.7	174.7	-171	-125.1	0	0	0	112.2	K237 V239 I305 D306 E311 H312 L313 G339	K237-Y309 HydrophobicContact CB-CE1 4.17Å; K237-Y309 HydrophobicContact CB-CE2 4.15Å; K237-Y309 HydrophobicContact CD-CE2 4.3Å; K237-Y309 HydrophobicContact CG-CD2 4.1Å; K237-Y309 HydrophobicContact CG-CE2 3.83Å; K237-Y309 WeakPolarHBondContact O-CE1 3.5Å; V239-Y309 HydrophobicContact CG2-CD1 4.23Å; V239-Y309 HydrophobicContact CG2-CE1 4.01Å; I305-Y309 HydrophobicContact CD1-CD1 3.99Å; I305-Y309 HydrophobicContact CG1-CD1 4.08Å; D306-Y309 PolarHBondContact O-N 3.41Å; D306-Y309 VanDerWaalsContact O-N 3.15Å; D306-Y309 PolarHBondContact OD1-N 3.01Å; Y309-E311 VanDerWaalsContact C-N 3.33Å; Y309-E311 PolarHBondContact O-N 2.94Å; Y309-H312 HydrophobicContact CD2-CB 4.49Å; Y309-H312 WeakPolarHBondContact O-CB 3.26Å; Y309-H312 PolarHBondContact O-N 3.06Å; Y309-L313 HydrophobicContact CD1-CD1 4.1Å; Y309-L313 HydrophobicContact CD2-CG 4.38Å; Y309-L313 HydrophobicContact CE1-CD1 3.6Å; Y309-L313 HydrophobicContact CE1-CG 4.17Å; Y309-L313 HydrophobicContact CE2-CD1 4.32Å; Y309-L313 HydrophobicContact CE2-CD2 4.02Å; Y309-L313 HydrophobicContact CE2-CG 3.98Å; Y309-L313 WeakPolarHBondContact O-CG 3.29Å; Y309-L313 PolarHBondContact O-N 3.16Å; Y309-G339 VanDerWaalsContact OH-CA 3.3Å; Y309-G339 WeakPolarHBondContact OH-CA 3.16Å; Y309-G339 PolarHBondContact OH-N 3.36Å
310	F	98.5	Very high	97.2	Very high	4 Å²	4	30 Å²	30	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-43.3	173	-176.5	-114.2	0	0	0	112.1	L200 A203 L211 F213 I305 D306 R307 S315 Y316 I330	L200-F310 HydrophobicContact CD2-CE1 4.37Å; L200-F310 HydrophobicContact CD2-CZ 4.21Å; A203-F310 HydrophobicContact CB-CD1 4.33Å; A203-F310 HydrophobicContact CB-CE1 3.8Å; L211-F310 HydrophobicContact CD1-CB 4.3Å; L211-F310 HydrophobicContact CD1-CD1 3.65Å; L211-F310 HydrophobicContact CD1-CE1 4.22Å; L211-F310 HydrophobicContact CD1-CG 4.13Å; F213-F310 HydrophobicContact CZ-CZ 4.42Å; I305-F310 HydrophobicContact CD1-CB 3.96Å; I305-F310 HydrophobicContact CD1-CD2 4.1Å; I305-F310 HydrophobicContact CG1-CB 4.18Å; I305-F310 HydrophobicContact CG2-CB 3.97Å; I305-F310 HydrophobicContact CG2-CD2 4.2Å; I305-F310 HydrophobicContact CG2-CG 4.27Å; D306-F310 PolarHBondContact O-N 2.97Å; R307-F310 PolarHBondContact O-N 3.31Å; F310-S315 VanDerWaalsContact CE1-CB 3.46Å; F310-S315 VanDerWaalsContact O-CA 3.3Å; F310-S315 WeakPolarHBondContact O-CA 3.45Å; F310-S315 PolarHBondContact O-N 3.32Å; F310-Y316 HydrophobicContact CE2-CD2 4.44Å; F310-Y316 HydrophobicContact CE2-CE2 4.49Å; F310-Y316 HydrophobicContact CZ-CD2 4.12Å; F310-Y316 HydrophobicContact CZ-CE2 4.4Å; F310-I330 HydrophobicContact CD2-CD1 3.93Å; F310-I330 HydrophobicContact CE2-CD1 3.63Å
311	E	97.8	Very high	97	Very high	105 Å²	105	30.2 Å²	30.2	49%	0.491	15%	0.152	S	C	.	.	H	α-helix	trans	-65.8	-42.2	174	-70.7	167.2	-164.8	0	0	111.9	R307 R308 Y309 L313 G314	R307-E311 IonicContact CZ-OE1 3.23Å; R307-E311 IonicContact NH1-OE1 2.94Å; R307-E311 PolarHBondContact NH1-OE1 3.32Å; R307-E311 IonicContact NH1-OE2 2.98Å; R307-E311 WeakPolarHBondContact O-CG 3.38Å; R307-E311 PolarHBondContact O-N 3.13Å; R307-E311 VanDerWaalsContact O-N 3.08Å; R308-E311 PolarHBondContact O-N 3.46Å; Y309-E311 VanDerWaalsContact C-N 3.33Å; Y309-E311 PolarHBondContact O-N 2.94Å; E311-L313 VanDerWaalsContact C-N 3.35Å; E311-L313 PolarHBondContact O-N 2.91Å; E311-G314 WeakPolarHBondContact O-CA 3.43Å; E311-G314 PolarHBondContact O-N 3.26Å
312	H	97.8	Very high	96.7	Very high	100 Å²	100	30.2 Å²	30.2	46%	0.463	15%	0.15	S	C	.	.	H	α-helix	trans	-59.7	-41.8	177.8	177.9	76	0	0	0	112.4	R308 Y309 G314 L411	R308-H312 VanDerWaalsContact O-CB 3.27Å; R308-H312 WeakPolarHBondContact O-CB 3.41Å; R308-H312 PolarHBondContact O-N 3.4Å; Y309-H312 HydrophobicContact CD2-CB 4.49Å; Y309-H312 WeakPolarHBondContact O-CB 3.26Å; Y309-H312 PolarHBondContact O-N 3.06Å; H312-G314 PolarHBondContact O-N 3.24Å; H312-G314 VanDerWaalsContact O-N 3.11Å; H312-L411 VanDerWaalsContact CE1-CD2 3.44Å; H312-L411 WeakPolarHBondContact CE1-CD2 3.43Å; H312-L411 WeakPolarHBondContact NE2-CD2 3.39Å
313	L	98.2	Very high	96.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	2.2	173.3	-68	-179.1	0	0	0	113.7	I305 Y309 E311 S315 K333 I334 C337 L407 L411	I305-L313 HydrophobicContact CD1-CD1 4.39Å; Y309-L313 HydrophobicContact CD1-CD1 4.1Å; Y309-L313 HydrophobicContact CD2-CG 4.38Å; Y309-L313 HydrophobicContact CE1-CD1 3.6Å; Y309-L313 HydrophobicContact CE1-CG 4.17Å; Y309-L313 HydrophobicContact CE2-CD1 4.32Å; Y309-L313 HydrophobicContact CE2-CD2 4.02Å; Y309-L313 HydrophobicContact CE2-CG 3.98Å; Y309-L313 WeakPolarHBondContact O-CG 3.29Å; Y309-L313 PolarHBondContact O-N 3.16Å; E311-L313 VanDerWaalsContact C-N 3.35Å; E311-L313 PolarHBondContact O-N 2.91Å; L313-S315 VanDerWaalsContact C-N 3.32Å; L313-K333 HydrophobicContact CD2-CB 4.41Å; L313-K333 VanDerWaalsContact O-CE 3.28Å; L313-K333 WeakPolarHBondContact O-CE 3.44Å; L313-I334 HydrophobicContact CD1-CG1 3.81Å; L313-C337 HydrophobicContact CD2-CB 3.92Å; L313-L407 WeakPolarHBondContact O-CD2 3.47Å; L313-L411 HydrophobicContact CD2-CD1 4.44Å
314	G	97.7	Very high	95.9	Very high	17 Å²	17	36 Å²	36	18%	0.175	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	36	-176.5	0	0	0	0	0	112.8	E311 H312 R404	E311-G314 WeakPolarHBondContact O-CA 3.43Å; E311-G314 PolarHBondContact O-N 3.26Å; H312-G314 PolarHBondContact O-N 3.24Å; H312-G314 VanDerWaalsContact O-N 3.11Å; G314-R404 PolarHBondContact O-NH1 3.49Å; G314-R404 PolarHBondContact O-NH2 3.12Å
315	S	97.5	Very high	95.6	Very high	32 Å²	32	36.3 Å²	36.3	22%	0.224	18%	0.176	C	C	.	.	S	Bend	trans	46.7	-141.8	176.2	64.4	0	0	0	0	113.3	L200 F310 L313 K333	L200-S315 WeakPolarHBondContact CD2-OG 3.38Å; F310-S315 VanDerWaalsContact CE1-CB 3.46Å; F310-S315 VanDerWaalsContact O-CA 3.3Å; F310-S315 WeakPolarHBondContact O-CA 3.45Å; F310-S315 PolarHBondContact O-N 3.32Å; L313-S315 VanDerWaalsContact C-N 3.32Å; S315-K333 PolarHBondContact O-NZ 2.9Å
316	Y	97.3	Very high	95.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-81.9	158.6	166	-73.3	-59.1	0	0	0	111	I196 R199 L200 F303 F310 P318 E326 I330	I196-Y316 HydrophobicContact CG2-CD2 4.25Å; I196-Y316 HydrophobicContact CG2-CG 4.09Å; R199-Y316 HydrophobicContact CB-CE2 4.36Å; R199-Y316 PolarHBondContact NH1-OH 3.48Å; L200-Y316 HydrophobicContact CD2-CD2 4.39Å; F303-Y316 WeakPolarHBondContact CE1-OH 3.46Å; F303-Y316 WeakPolarHBondContact CZ-OH 3.49Å; F310-Y316 HydrophobicContact CE2-CD2 4.44Å; F310-Y316 HydrophobicContact CE2-CE2 4.49Å; F310-Y316 HydrophobicContact CZ-CD2 4.12Å; F310-Y316 HydrophobicContact CZ-CE2 4.4Å; Y316-P318 WeakPolarHBondContact O-CD 3.49Å; Y316-P318 VanDerWaalsContact O-N 3.17Å; Y316-E326 HydrophobicContact CD1-CB 3.8Å; Y316-E326 HydrophobicContact CD1-CG 4.4Å; Y316-E326 HydrophobicContact CE1-CB 3.74Å; Y316-E326 HydrophobicContact CE1-CG 3.91Å; Y316-E326 WeakPolarHBondContact CE1-O 3.42Å; Y316-I330 HydrophobicContact CD1-CB 4.22Å; Y316-I330 HydrophobicContact CD1-CD1 4.22Å; Y316-I330 HydrophobicContact CE1-CB 3.8Å; Y316-I330 HydrophobicContact CE1-CD1 3.85Å; Y316-I330 HydrophobicContact CE1-CG1 4.45Å; Y316-I330 HydrophobicContact CE1-CG2 3.75Å
317	D	97.3	Very high	95.4	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	18%	0.177	C	C	.	.			trans	-63.3	112.5	167.9	179.6	7.6	0	0	0	110.1	G319 F320 R374	D317-G319 PolarHBondContact O-N 2.99Å; D317-G319 VanDerWaalsContact O-N 3.13Å; D317-G319 WeakPolarHBondContact OD1-CA 3.43Å; D317-G319 PolarHBondContact OD1-N 3.47Å; D317-F320 HydrophobicContact CB-CD1 3.71Å; D317-F320 HydrophobicContact CB-CE1 3.77Å; D317-F320 HydrophobicContact CB-CG 4.12Å; D317-F320 HydrophobicContact CB-CZ 4.26Å; D317-F320 WeakPolarHBondContact O-CB 3.49Å; D317-F320 PolarHBondContact O-N 3.3Å; D317-F320 VanDerWaalsContact OD2-CD1 3.29Å; D317-F320 WeakPolarHBondContact OD2-CD1 3.41Å; D317-F320 VanDerWaalsContact OD2-CE1 3.23Å; D317-F320 WeakPolarHBondContact OD2-CE1 3.43Å; D317-R374 IonicContact OD1-NH2 3.54Å; D317-R374 PolarHBondContact OD1-NH2 2.85Å; D317-R374 VanDerWaalsContact OD1-NH2 3.13Å; D317-R374 IonicContact OD2-CZ 3.85Å; D317-R374 VanDerWaalsContact OD2-CZ 3.24Å; D317-R374 IonicContact OD2-NE 2.73Å; D317-R374 PolarHBondContact OD2-NE 3.15Å; D317-R374 IonicContact OD2-NH2 3.56Å; D317-R374 PolarHBondContact OD2-NH2 3.33Å
318	P	94.6	Very high	95.4	Very high	71 Å²	71	33.5 Å²	33.5	46%	0.461	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.9	179.1	29.2	-36.2	0	0	0	112.7	R197 L200 Y316 F320	R197-P318 PolarHBondContact NH2-O 2.93Å; L200-P318 HydrophobicContact CD1-CB 4.47Å; Y316-P318 WeakPolarHBondContact O-CD 3.49Å; Y316-P318 VanDerWaalsContact O-N 3.17Å; P318-F320 PolarHBondContact O-N 3.2Å
319	G	94.1	Very high	95.4	Very high	16 Å²	16	25.2 Å²	25.2	17%	0.165	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.9	173	0	0	0	0	0	113.7	D317 R370	D317-G319 PolarHBondContact O-N 2.99Å; D317-G319 VanDerWaalsContact O-N 3.13Å; D317-G319 WeakPolarHBondContact OD1-CA 3.43Å; D317-G319 PolarHBondContact OD1-N 3.47Å; G319-R370 PolarHBondContact O-NH1 3.02Å; G319-R370 PolarHBondContact O-NH2 2.96Å; G319-R370 VanDerWaalsContact O-NH2 3.09Å
320	F	93.9	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.			trans	-70.4	145.2	173	-74.3	11.1	0	0	0	110.9	I196 D317 P318 E326 E329 N371 R374 L375	I196-F320 HydrophobicContact CD1-CB 3.54Å; I196-F320 HydrophobicContact CD1-CD2 3.98Å; I196-F320 HydrophobicContact CD1-CG 4.27Å; I196-F320 HydrophobicContact CG2-CB 4.31Å; D317-F320 HydrophobicContact CB-CD1 3.71Å; D317-F320 HydrophobicContact CB-CE1 3.77Å; D317-F320 HydrophobicContact CB-CG 4.12Å; D317-F320 HydrophobicContact CB-CZ 4.26Å; D317-F320 WeakPolarHBondContact O-CB 3.49Å; D317-F320 PolarHBondContact O-N 3.3Å; D317-F320 VanDerWaalsContact OD2-CD1 3.29Å; D317-F320 WeakPolarHBondContact OD2-CD1 3.41Å; D317-F320 VanDerWaalsContact OD2-CE1 3.23Å; D317-F320 WeakPolarHBondContact OD2-CE1 3.43Å; P318-F320 PolarHBondContact O-N 3.2Å; F320-E326 HydrophobicContact CD2-CB 3.99Å; F320-E326 HydrophobicContact CE2-CB 4.3Å; F320-E329 HydrophobicContact CE2-CB 3.77Å; F320-E329 HydrophobicContact CE2-CG 3.99Å; F320-E329 HydrophobicContact CZ-CB 3.92Å; F320-E329 HydrophobicContact CZ-CG 3.71Å; F320-N371 WeakPolarHBondContact CA-OD1 3.44Å; F320-N371 HydrophobicContact CD1-CB 4.07Å; F320-N371 HydrophobicContact CD2-CB 4.12Å; F320-N371 HydrophobicContact CE1-CB 4.32Å; F320-N371 WeakPolarHBondContact CE1-O 3.43Å; F320-N371 HydrophobicContact CE2-CB 4.35Å; F320-N371 HydrophobicContact CG-CB 3.98Å; F320-N371 HydrophobicContact CZ-CB 4.45Å; F320-R374 HydrophobicContact CD1-CB 4.29Å; F320-R374 HydrophobicContact CE1-CB 3.65Å; F320-L375 HydrophobicContact CZ-CB 4.05Å
321	D	88.7	Confident	95.4	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.037	13%	0.131	C	C	.	.			trans	-111.2	142.8	-179.9	-163.2	18.3	0	0	0	110.1	W323 R362 V367 N371	D321-W323 PolarHBondContact O-N 3.48Å; D321-R362 IonicContact OD1-CZ 3.43Å; D321-R362 IonicContact OD1-NE 3.57Å; D321-R362 IonicContact OD1-NH1 3.71Å; D321-R362 PolarHBondContact OD1-NH1 2.69Å; D321-R362 VanDerWaalsContact OD2-CD 3.26Å; D321-R362 WeakPolarHBondContact OD2-CD 3.45Å; D321-R362 IonicContact OD2-CZ 3.28Å; D321-R362 IonicContact OD2-NE 2.74Å; D321-R362 IonicContact OD2-NH1 2.86Å; D321-R362 PolarHBondContact OD2-NH1 2.97Å; D321-V367 HydrophobicContact CB-CG1 3.88Å; D321-V367 WeakPolarHBondContact O-CG1 3.35Å; D321-N371 PolarHBondContact N-OD1 3.19Å; D321-N371 PolarHBondContact O-ND2 3.37Å
322	I	87.4	Confident	95.5	Very high	10 Å²	10	19.5 Å²	19.5	5%	0.051	11%	0.108	C	C	.	.	S	Bend	trans	45.9	-81.7	178.5	-49.2	-177.9	0	0	0	116.4	L195 I196 W361 R362 V367	L195-I322 PolarHBondContact N-O 3.32Å; I196-I322 PolarHBondContact N-O 2.93Å; I322-W361 HydrophobicContact CB-CZ3 4.26Å; I322-W361 HydrophobicContact CD1-CE3 4.32Å; I322-W361 HydrophobicContact CG2-CE3 4.27Å; I322-W361 HydrophobicContact CG2-CZ3 3.84Å; I322-R362 HydrophobicContact CD1-CG 4.1Å; I322-V367 HydrophobicContact CB-CG1 4.15Å; I322-V367 HydrophobicContact CD1-CG2 4.42Å
323	W	90.8	Very high	95.5	Very high	122 Å²	122	14.8 Å²	14.8	46%	0.462	9%	0.086	S	C	.	.	S	Bend	trans	-159.9	150.8	-169.8	-179.8	81.2	0	0	0	110.3	D321 W361 V368	D321-W323 PolarHBondContact O-N 3.48Å; W323-W361 HydrophobicContact CB-CH2 4.17Å; W323-W361 HydrophobicContact CB-CZ3 4.3Å; W323-W361 HydrophobicContact CD2-CH2 4.47Å; W323-W361 AromaticContact CE3-CH2 3.86Å; W323-W361 HydrophobicContact CE3-CH2 3.86Å; W323-V368 HydrophobicContact CE3-CG2 4.33Å; W323-V368 HydrophobicContact CZ3-CG2 4.42Å
324	G	90.3	Very high	95.5	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.031	9%	0.086	C	C	.	.	S	Bend	trans	107.5	131.1	171.9	0	0	0	0	0	111.7	E326 N371	G324-E326 VanDerWaalsContact C-N 3.27Å; G324-E326 VanDerWaalsContact CA-OE2 3.25Å; G324-E326 WeakPolarHBondContact CA-OE2 3.38Å; G324-E326 PolarHBondContact N-OE2 3.06Å; G324-E326 PolarHBondContact O-N 3.28Å; G324-N371 WeakPolarHBondContact O-CB 3.45Å; G324-N371 PolarHBondContact O-ND2 3.13Å
325	G	93.2	Very high	95.6	Very high	7 Å²	7	14.8 Å²	14.8	7%	0.072	8%	0.081	C	C	.	.	S	Bend	trans	85.2	-19.7	177.6	0	0	0	0	0	114.5	N327 L328 E329 L375	G325-N327 VanDerWaalsContact C-N 3.27Å; G325-N327 PolarHBondContact O-N 2.85Å; G325-L328 PolarHBondContact O-N 3.34Å; G325-E329 WeakPolarHBondContact O-CB 3.48Å; G325-E329 PolarHBondContact O-N 3.21Å; G325-L375 WeakPolarHBondContact O-CD1 3.44Å
326	E	96.5	Very high	95.6	Very high	3 Å²	3	13.4 Å²	13.4	1%	0.014	7%	0.071	C	C	.	.	H	α-helix	trans	-62.2	-35	-178.8	77.5	-74.9	-178.1	0	0	112.9	I196 Y316 F320 G324 E329 I330	I196-E326 HydrophobicContact CD1-CB 3.85Å; I196-E326 HydrophobicContact CD1-CG 4.23Å; I196-E326 HydrophobicContact CG1-CB 3.91Å; I196-E326 HydrophobicContact CG1-CG 3.88Å; Y316-E326 HydrophobicContact CD1-CB 3.8Å; Y316-E326 HydrophobicContact CD1-CG 4.4Å; Y316-E326 HydrophobicContact CE1-CB 3.74Å; Y316-E326 HydrophobicContact CE1-CG 3.91Å; Y316-E326 WeakPolarHBondContact CE1-O 3.42Å; F320-E326 HydrophobicContact CD2-CB 3.99Å; F320-E326 HydrophobicContact CE2-CB 4.3Å; G324-E326 VanDerWaalsContact C-N 3.27Å; G324-E326 VanDerWaalsContact CA-OE2 3.25Å; G324-E326 WeakPolarHBondContact CA-OE2 3.38Å; G324-E326 PolarHBondContact N-OE2 3.06Å; G324-E326 PolarHBondContact O-N 3.28Å; E326-E329 PolarHBondContact O-N 3.48Å; E326-I330 VanDerWaalsContact O-CG2 3.29Å; E326-I330 WeakPolarHBondContact O-CG2 3.4Å; E326-I330 PolarHBondContact O-N 3.37Å
327	N	97.2	Very high	95.7	Very high	13 Å²	13	14 Å²	14	7%	0.07	8%	0.075	C	C	.	.	H	α-helix	trans	-67.8	-40.8	-179.9	67.1	-56.6	0	0	0	111.4	M298 A299 G325 S331	M298-N327 WeakPolarHBondContact O-CB 3.41Å; M298-N327 PolarHBondContact O-ND2 3.13Å; A299-N327 WeakPolarHBondContact O-CB 3.49Å; G325-N327 VanDerWaalsContact C-N 3.27Å; G325-N327 PolarHBondContact O-N 2.85Å; N327-S331 WeakPolarHBondContact O-CB 3.34Å; N327-S331 PolarHBondContact O-N 3.28Å; N327-S331 PolarHBondContact O-OG 3.32Å
328	L	98.3	Very high	95.7	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-70.6	-43.4	174.1	-62	-173.9	0	0	0	111.1	F267 L271 T297 G325 I330 S331 F332 L375	F267-L328 HydrophobicContact CB-CD1 4.07Å; F267-L328 HydrophobicContact CB-CD2 3.88Å; F267-L328 HydrophobicContact CG-CD1 4.45Å; F267-L328 HydrophobicContact CG-CD2 4.37Å; L271-L328 HydrophobicContact CB-CD1 4.04Å; L271-L328 VanDerWaalsContact O-CD1 3.23Å; L271-L328 WeakPolarHBondContact O-CD1 3.31Å; T297-L328 HydrophobicContact CG2-CD2 3.63Å; G325-L328 PolarHBondContact O-N 3.34Å; L328-I330 PolarHBondContact O-N 3.49Å; L328-S331 WeakPolarHBondContact O-CB 3.4Å; L328-S331 PolarHBondContact O-N 3.42Å; L328-S331 VanDerWaalsContact O-N 3.13Å; L328-F332 HydrophobicContact CB-CE2 4.29Å; L328-F332 HydrophobicContact CB-CZ 4.29Å; L328-F332 WeakPolarHBondContact O-CD2 3.26Å; L328-F332 VanDerWaalsContact O-CG 3.25Å; L328-F332 WeakPolarHBondContact O-CG 3.46Å; L328-F332 PolarHBondContact O-N 2.87Å; L328-L375 HydrophobicContact CB-CD1 3.56Å
329	E	98.3	Very high	95.9	Very high	3 Å²	3	13.2 Å²	13.2	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-58.2	-47.1	-178.3	-165.1	-88.4	166.3	0	0	112.1	F320 G325 E326 F332 K333 L375 W379	F320-E329 HydrophobicContact CE2-CB 3.77Å; F320-E329 HydrophobicContact CE2-CG 3.99Å; F320-E329 HydrophobicContact CZ-CB 3.92Å; F320-E329 HydrophobicContact CZ-CG 3.71Å; G325-E329 WeakPolarHBondContact O-CB 3.48Å; G325-E329 PolarHBondContact O-N 3.21Å; E326-E329 PolarHBondContact O-N 3.48Å; E329-F332 PolarHBondContact O-N 2.74Å; E329-K333 VanDerWaalsContact CD-CE 3.47Å; E329-K333 PolarHBondContact O-N 2.85Å; E329-K333 VanDerWaalsContact O-N 3.08Å; E329-K333 WeakPolarHBondContact OE1-CE 3.13Å; E329-K333 IonicContact OE1-NZ 3.44Å; E329-K333 PolarHBondContact OE1-NZ 3.01Å; E329-K333 WeakPolarHBondContact OE2-CE 3.38Å; E329-K333 IonicContact OE2-NZ 3.77Å; E329-K333 PolarHBondContact OE2-NZ 2.96Å; E329-L375 HydrophobicContact CB-CD1 3.89Å; E329-L375 HydrophobicContact CB-CG 4.37Å; E329-W379 PolarHBondContact OE1-NE1 2.78Å; E329-W379 VanDerWaalsContact OE1-NE1 3.1Å
330	I	98.3	Very high	96	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-73.3	-31.8	177.7	-162.6	160.1	0	0	0	112.3	M298 F310 Y316 E326 L328 F332 K333 I334	M298-I330 HydrophobicContact CE-CG2 3.15Å; F310-I330 HydrophobicContact CD2-CD1 3.93Å; F310-I330 HydrophobicContact CE2-CD1 3.63Å; Y316-I330 HydrophobicContact CD1-CB 4.22Å; Y316-I330 HydrophobicContact CD1-CD1 4.22Å; Y316-I330 HydrophobicContact CE1-CB 3.8Å; Y316-I330 HydrophobicContact CE1-CD1 3.85Å; Y316-I330 HydrophobicContact CE1-CG1 4.45Å; Y316-I330 HydrophobicContact CE1-CG2 3.75Å; E326-I330 VanDerWaalsContact O-CG2 3.29Å; E326-I330 WeakPolarHBondContact O-CG2 3.4Å; E326-I330 PolarHBondContact O-N 3.37Å; L328-I330 PolarHBondContact O-N 3.49Å; I330-F332 VanDerWaalsContact C-N 3.32Å; I330-F332 PolarHBondContact O-N 3.36Å; I330-K333 WeakPolarHBondContact O-CB 3.42Å; I330-K333 PolarHBondContact O-N 3.25Å; I330-I334 HydrophobicContact CG1-CD1 4.03Å; I330-I334 HydrophobicContact CG1-CG1 4.34Å; I330-I334 VanDerWaalsContact O-CD1 3.26Å; I330-I334 WeakPolarHBondContact O-CD1 3.5Å; I330-I334 WeakPolarHBondContact O-CG1 3.28Å; I330-I334 PolarHBondContact O-N 3.39Å
331	S	98.7	Very high	96.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.5	-44.2	173.6	-59.7	0	0	0	0	110.9	T297 M298 N327 L328 I334 W335	T297-S331 WeakPolarHBondContact CA-OG 3.5Å; M298-S331 PolarHBondContact N-OG 2.91Å; M298-S331 VanDerWaalsContact N-OG 3.16Å; N327-S331 WeakPolarHBondContact O-CB 3.34Å; N327-S331 PolarHBondContact O-N 3.28Å; N327-S331 PolarHBondContact O-OG 3.32Å; L328-S331 WeakPolarHBondContact O-CB 3.4Å; L328-S331 PolarHBondContact O-N 3.42Å; L328-S331 VanDerWaalsContact O-N 3.13Å; S331-I334 PolarHBondContact O-N 3.34Å; S331-W335 PolarHBondContact O-N 3.29Å; S331-W335 VanDerWaalsContact O-N 3.14Å
332	F	98.7	Very high	96.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.8	-44.3	176.8	-60.9	-20.7	0	0	0	111.9	F267 T297 L328 E329 I330 I334 W335 M336 L375 W379 L380 F416 Y419	F267-F332 HydrophobicContact CD1-CE1 4.31Å; F267-F332 HydrophobicContact CD1-CZ 4.29Å; F267-F332 AromaticContact CE1-CE1 3.91Å; F267-F332 HydrophobicContact CE1-CE1 3.91Å; F267-F332 AromaticContact CE1-CZ 3.97Å; F267-F332 HydrophobicContact CE1-CZ 3.97Å; F267-F332 HydrophobicContact CE2-CZ 4.24Å; F267-F332 HydrophobicContact CZ-CE1 4.31Å; F267-F332 HydrophobicContact CZ-CZ 4Å; T297-F332 HydrophobicContact CG2-CE1 4.45Å; L328-F332 HydrophobicContact CB-CE2 4.29Å; L328-F332 HydrophobicContact CB-CZ 4.29Å; L328-F332 WeakPolarHBondContact O-CD2 3.26Å; L328-F332 VanDerWaalsContact O-CG 3.25Å; L328-F332 WeakPolarHBondContact O-CG 3.46Å; L328-F332 PolarHBondContact O-N 2.87Å; E329-F332 PolarHBondContact O-N 2.74Å; I330-F332 VanDerWaalsContact C-N 3.32Å; I330-F332 PolarHBondContact O-N 3.36Å; F332-I334 PolarHBondContact O-N 3.4Å; F332-W335 PolarHBondContact O-N 2.96Å; F332-M336 HydrophobicContact CB-SD 3.96Å; F332-M336 WeakPolarHBondContact O-CB 3.38Å; F332-M336 VanDerWaalsContact O-CG 3.24Å; F332-M336 WeakPolarHBondContact O-CG 3.39Å; F332-M336 PolarHBondContact O-N 2.76Å; F332-L375 HydrophobicContact CD2-CD1 4.28Å; F332-L375 HydrophobicContact CD2-CD2 4.09Å; F332-L375 HydrophobicContact CD2-CG 4.22Å; F332-L375 HydrophobicContact CE2-CD1 4.06Å; F332-L375 HydrophobicContact CE2-CD2 3.64Å; F332-L375 HydrophobicContact CE2-CG 4.16Å; F332-W379 HydrophobicContact CB-CB 4.25Å; F332-W379 HydrophobicContact CB-CD2 4.29Å; F332-W379 HydrophobicContact CB-CE3 4.37Å; F332-W379 HydrophobicContact CB-CG 4.22Å; F332-W379 HydrophobicContact CD2-CB 3.85Å; F332-W379 HydrophobicContact CD2-CG 4.38Å; F332-W379 HydrophobicContact CG-CB 4.48Å; F332-L380 HydrophobicContact CD2-CD2 4.45Å; F332-L380 HydrophobicContact CE2-CD2 3.78Å; F332-L380 HydrophobicContact CZ-CD2 4.26Å; F332-F416 HydrophobicContact CD1-CE2 4.34Å; F332-F416 HydrophobicContact CE1-CE2 4.11Å; F332-F416 HydrophobicContact CE2-CE2 4.28Å; F332-F416 HydrophobicContact CZ-CE2 4.08Å; F332-F416 HydrophobicContact CZ-CZ 4.46Å; F332-Y419 HydrophobicContact CD1-CE1 4.31Å; F332-Y419 HydrophobicContact CD1-CE2 4Å; F332-Y419 AromaticContact CD1-CZ 3.87Å; F332-Y419 HydrophobicContact CE1-CE1 4.03Å; F332-Y419 HydrophobicContact CE1-CE2 4.41Å; F332-Y419 AromaticContact CE1-CZ 3.81Å
333	K	98.3	Very high	97.2	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-54	-51	171.9	-80	169.3	166.7	156.7	0	112.6	L313 S315 E329 I330 W335 C337 W379	L313-K333 HydrophobicContact CD2-CB 4.41Å; L313-K333 VanDerWaalsContact O-CE 3.28Å; L313-K333 WeakPolarHBondContact O-CE 3.44Å; S315-K333 PolarHBondContact O-NZ 2.9Å; E329-K333 VanDerWaalsContact CD-CE 3.47Å; E329-K333 PolarHBondContact O-N 2.85Å; E329-K333 VanDerWaalsContact O-N 3.08Å; E329-K333 WeakPolarHBondContact OE1-CE 3.13Å; E329-K333 IonicContact OE1-NZ 3.44Å; E329-K333 PolarHBondContact OE1-NZ 3.01Å; E329-K333 WeakPolarHBondContact OE2-CE 3.38Å; E329-K333 IonicContact OE2-NZ 3.77Å; E329-K333 PolarHBondContact OE2-NZ 2.96Å; I330-K333 WeakPolarHBondContact O-CB 3.42Å; I330-K333 PolarHBondContact O-N 3.25Å; K333-W335 PolarHBondContact O-N 2.61Å; K333-C337 WeakPolarHBondContact O-CA 3.32Å; K333-C337 WeakPolarHBondContact O-CB 3.13Å; K333-C337 PolarHBondContact O-N 3.46Å; K333-C337 PolarHBondContact O-SG 2.84Å; K333-W379 HydrophobicContact CB-CH2 4.29Å; K333-W379 HydrophobicContact CB-CZ2 4.35Å; K333-W379 HydrophobicContact CD-CZ2 4.1Å; K333-W379 HydrophobicContact CG-CH2 3.45Å; K333-W379 VanDerWaalsContact CG-CH2 3.45Å; K333-W379 HydrophobicContact CG-CZ2 3.15Å; K333-W379 HydrophobicContact CG-CZ3 4.32Å
334	I	98.7	Very high	97.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.8	-52.9	-175.1	-69.5	158.1	0	0	0	109.5	V239 L313 I330 S331 F332 G339 R340 L341	V239-I334 HydrophobicContact CB-CD1 3.68Å; V239-I334 HydrophobicContact CB-CG1 4.31Å; V239-I334 HydrophobicContact CB-CG2 4.33Å; V239-I334 HydrophobicContact CG1-CD1 3.72Å; V239-I334 HydrophobicContact CG2-CD1 3.54Å; V239-I334 HydrophobicContact CG2-CG1 3.68Å; V239-I334 HydrophobicContact CG2-CG2 3.99Å; L313-I334 HydrophobicContact CD1-CG1 3.81Å; I330-I334 HydrophobicContact CG1-CD1 4.03Å; I330-I334 HydrophobicContact CG1-CG1 4.34Å; I330-I334 VanDerWaalsContact O-CD1 3.26Å; I330-I334 WeakPolarHBondContact O-CD1 3.5Å; I330-I334 WeakPolarHBondContact O-CG1 3.28Å; I330-I334 PolarHBondContact O-N 3.39Å; S331-I334 PolarHBondContact O-N 3.34Å; F332-I334 PolarHBondContact O-N 3.4Å; I334-G339 CarbonylContact O-C 3.59Å; I334-G339 VanDerWaalsContact O-CA 3.26Å; I334-G339 WeakPolarHBondContact O-CA 3.49Å; I334-G339 PolarHBondContact O-N 2.67Å; I334-R340 VanDerWaalsContact CG2-C 3.48Å; I334-R340 WeakPolarHBondContact CG2-O 3.12Å; I334-L341 HydrophobicContact CD1-CD1 4.32Å; I334-L341 HydrophobicContact CG2-CB 4.19Å
335	W	98.7	Very high	97.8	Very high	18 Å²	18	12.2 Å²	12.2	7%	0.068	7%	0.071	C	C	.	.	H	α-helix	trans	-68.9	-50.5	-178.3	-79.7	117	0	0	0	112.9	E294 S295 P296 S331 F332 K333 C337 G338 R340 L341 W418 Y419 V423	E294-W335 HydrophobicContact CB-CH2 4.2Å; E294-W335 HydrophobicContact CB-CZ2 4.27Å; E294-W335 HydrophobicContact CG-CH2 4.24Å; S295-W335 PolarHBondContact O-NE1 2.86Å; P296-W335 PolarHBondContact O-NE1 2.94Å; S331-W335 PolarHBondContact O-N 3.29Å; S331-W335 VanDerWaalsContact O-N 3.14Å; F332-W335 PolarHBondContact O-N 2.96Å; K333-W335 PolarHBondContact O-N 2.61Å; W335-C337 VanDerWaalsContact C-N 3.29Å; W335-C337 PolarHBondContact O-N 3.34Å; W335-G338 PolarHBondContact O-N 3.43Å; W335-R340 HydrophobicContact CH2-CB 4.31Å; W335-R340 HydrophobicContact CH2-CG 4.5Å; W335-R340 HydrophobicContact CZ3-CB 4.37Å; W335-R340 HydrophobicContact CZ3-CG 4.2Å; W335-L341 HydrophobicContact CZ2-CB 4.21Å; W335-W418 WeakPolarHBondContact O-CZ3 3.34Å; W335-Y419 HydrophobicContact CB-CD2 3.75Å; W335-Y419 HydrophobicContact CB-CE2 3.91Å; W335-Y419 AromaticContact CD1-CE2 3.75Å; W335-Y419 HydrophobicContact CG-CD2 4.25Å; W335-Y419 AromaticContact CG-CE2 3.98Å; W335-Y419 HydrophobicContact CG-CE2 3.98Å; W335-V423 HydrophobicContact CB-CG2 4.09Å; W335-V423 HydrophobicContact CD2-CB 4.3Å; W335-V423 HydrophobicContact CD2-CG1 3.6Å; W335-V423 HydrophobicContact CD2-CG2 3.66Å; W335-V423 VanDerWaalsContact CE2-CG1 3.49Å; W335-V423 HydrophobicContact CE3-CG1 4.23Å; W335-V423 HydrophobicContact CE3-CG2 3.6Å; W335-V423 HydrophobicContact CG-CB 4.44Å; W335-V423 HydrophobicContact CG-CG1 3.78Å; W335-V423 HydrophobicContact CG-CG2 3.91Å; W335-V423 HydrophobicContact CZ2-CG1 4.03Å; W335-V423 HydrophobicContact CZ3-CG2 4.25Å
336	M	98.7	Very high	97.8	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-73.2	-23.3	-172.6	-62.5	167.8	63.8	0	0	112.3	F332 W379 C413 T414 F416 Y419	F332-M336 HydrophobicContact CB-SD 3.96Å; F332-M336 WeakPolarHBondContact O-CB 3.38Å; F332-M336 VanDerWaalsContact O-CG 3.24Å; F332-M336 WeakPolarHBondContact O-CG 3.39Å; F332-M336 PolarHBondContact O-N 2.76Å; M336-W379 HydrophobicContact CB-CZ3 4.37Å; M336-W379 HydrophobicContact CE-CE3 3.89Å; M336-W379 HydrophobicContact CE-CZ3 4.42Å; M336-W379 HydrophobicContact SD-CE3 3.83Å; M336-W379 HydrophobicContact SD-CZ3 4.46Å; M336-C413 HydrophobicContact CB-CB 4.27Å; M336-C413 CarbonylContact O-C 3.53Å; M336-C413 WeakPolarHBondContact O-CA 3.46Å; M336-C413 VanDerWaalsContact O-CB 3.32Å; M336-C413 WeakPolarHBondContact O-CB 3.14Å; M336-T414 WeakPolarHBondContact CA-OG1 3.48Å; M336-T414 WeakPolarHBondContact CE-O 3.45Å; M336-T414 PolarHBondContact O-N 3.22Å; M336-T414 PolarHBondContact O-OG1 2.99Å; M336-F416 HydrophobicContact CE-CB 4.38Å; M336-F416 HydrophobicContact SD-CD2 4.12Å; M336-Y419 HydrophobicContact CG-CD2 4.29Å; M336-Y419 HydrophobicContact CG-CG 4.49Å
337	C	98.5	Very high	97.9	Very high	14 Å²	14	13.3 Å²	13.3	10%	0.095	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	20.9	179	-47.1	0	0	0	0	112.9	L313 K333 W335 L411 C413	L313-C337 HydrophobicContact CD2-CB 3.92Å; K333-C337 WeakPolarHBondContact O-CA 3.32Å; K333-C337 WeakPolarHBondContact O-CB 3.13Å; K333-C337 PolarHBondContact O-N 3.46Å; K333-C337 PolarHBondContact O-SG 2.84Å; W335-C337 VanDerWaalsContact C-N 3.29Å; W335-C337 PolarHBondContact O-N 3.34Å; C337-L411 HydrophobicContact CB-CD1 4.46Å; C337-C413 HydrophobicContact CB-CB 4.05Å; C337-C413 WeakPolarHBondContact CB-SG 3.35Å; C337-C413 WeakPolarHBondContact SG-CB 3.44Å; C337-C413 CovalentContact SG-SG 2.04Å; C337-C413 PolarHBondContact SG-SG 2.87Å
338	G	97.6	Very high	97.9	Very high	51 Å²	51	13 Å²	13	53%	0.526	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	19.6	164.4	0	0	0	0	0	116.6	K237 W335	K237-G338 WeakPolarHBondContact CD-O 3.16Å; W335-G338 PolarHBondContact O-N 3.43Å
339	G	98.3	Very high	97.9	Very high	6 Å²	6	13 Å²	13	6%	0.062	8%	0.075	C	C	.	.			trans	-102.7	-170.8	167.1	0	0	0	0	0	112.9	K237 Y309 I334	K237-G339 WeakPolarHBondContact O-CA 3.48Å; Y309-G339 VanDerWaalsContact OH-CA 3.3Å; Y309-G339 WeakPolarHBondContact OH-CA 3.16Å; Y309-G339 PolarHBondContact OH-N 3.36Å; I334-G339 CarbonylContact O-C 3.59Å; I334-G339 VanDerWaalsContact O-CA 3.26Å; I334-G339 WeakPolarHBondContact O-CA 3.49Å; I334-G339 PolarHBondContact O-N 2.67Å
340	R	98.1	Very high	97.9	Very high	113 Å²	113	12.8 Å²	12.8	43%	0.426	8%	0.075	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.5	179	-60.4	178.6	87.3	153.2	-2.9	110.5	K237 V239 E294 I334 W335	K237-R340 PolarHBondContact O-N 3.35Å; V239-R340 PolarHBondContact N-O 3.23Å; E294-R340 IonicContact OE1-CZ 3.24Å; E294-R340 VanDerWaalsContact OE1-CZ 3.24Å; E294-R340 IonicContact OE1-NE 2.96Å; E294-R340 PolarHBondContact OE1-NE 3.27Å; E294-R340 VanDerWaalsContact OE1-NE 3.13Å; E294-R340 IonicContact OE1-NH2 2.62Å; E294-R340 PolarHBondContact OE1-NH2 2.99Å; I334-R340 VanDerWaalsContact CG2-C 3.48Å; I334-R340 WeakPolarHBondContact CG2-O 3.12Å; W335-R340 HydrophobicContact CH2-CB 4.31Å; W335-R340 HydrophobicContact CH2-CG 4.5Å; W335-R340 HydrophobicContact CZ3-CB 4.37Å; W335-R340 HydrophobicContact CZ3-CG 4.2Å
341	L	98.7	Very high	97.9	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.3	174	-177.9	61.3	0	0	0	109.3	V239 S295 M298 I334 W335	V239-L341 HydrophobicContact CB-CD1 4.1Å; V239-L341 HydrophobicContact CG1-CD1 3.99Å; V239-L341 WeakPolarHBondContact O-CA 3.45Å; S295-L341 PolarHBondContact N-O 3.36Å; M298-L341 HydrophobicContact CB-CD1 4.26Å; M298-L341 HydrophobicContact CB-CD2 4.01Å; M298-L341 HydrophobicContact CG-CD1 4.3Å; M298-L341 HydrophobicContact CG-CD2 4.11Å; M298-L341 HydrophobicContact SD-CD1 4.3Å; I334-L341 HydrophobicContact CD1-CD1 4.32Å; I334-L341 HydrophobicContact CG2-CB 4.19Å; W335-L341 HydrophobicContact CZ2-CB 4.21Å
342	E	98.2	Very high	97.8	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.028	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.5	-173.6	-57.7	179.1	163.4	0	0	111.6	R231 V239 V240 C241 P292 L293 I344	R231-E342 IonicContact CZ-OE1 3.81Å; R231-E342 IonicContact CZ-OE2 3.27Å; R231-E342 VanDerWaalsContact CZ-OE2 3.27Å; R231-E342 IonicContact NE-OE2 2.78Å; R231-E342 PolarHBondContact NE-OE2 2.81Å; R231-E342 VanDerWaalsContact NH2-CD 3.28Å; R231-E342 IonicContact NH2-OE1 2.95Å; R231-E342 PolarHBondContact NH2-OE1 2.84Å; R231-E342 IonicContact NH2-OE2 2.62Å; R231-E342 PolarHBondContact NH2-OE2 2.96Å; V239-E342 PolarHBondContact O-N 3.32Å; V240-E342 CarbonylContact C-O 3.55Å; V240-E342 VanDerWaalsContact CA-O 3.3Å; V240-E342 WeakPolarHBondContact CA-O 3.06Å; V240-E342 HydrophobicContact CG1-CB 4.33Å; C241-E342 PolarHBondContact N-O 3Å; P292-E342 HydrophobicContact CB-CB 4.43Å; P292-E342 WeakPolarHBondContact CB-OE2 3.5Å; L293-E342 CarbonylContact O-C 3.5Å; L293-E342 VanDerWaalsContact O-CA 3.31Å; L293-E342 WeakPolarHBondContact O-CA 3.1Å; E342-I344 HydrophobicContact CB-CD1 3.91Å
343	I	98	Very high	97.3	Very high	9 Å²	9	18.1 Å²	18.1	5%	0.046	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.9	164.2	-62.4	169.8	0	0	0	107.3	C241 V243 T262 Q263 W275 L293 P345	C241-I343 HydrophobicContact CB-CG1 4.16Å; C241-I343 CarbonylContact O-C 3.58Å; C241-I343 WeakPolarHBondContact O-CA 3.46Å; V243-I343 HydrophobicContact CG2-CG2 4.02Å; T262-I343 HydrophobicContact CG2-CG2 3.77Å; Q263-I343 WeakPolarHBondContact O-CD1 3.12Å; W275-I343 HydrophobicContact CZ3-CD1 4.38Å; L293-I343 HydrophobicContact CB-CB 4.39Å; L293-I343 WeakPolarHBondContact CB-O 3.39Å; L293-I343 PolarHBondContact N-O 3.44Å; L293-I343 PolarHBondContact O-N 3.43Å; I343-P345 WeakPolarHBondContact O-CD 3.37Å
344	I	97	Very high	96.4	Very high	6 Å²	6	22 Å²	22	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	103.5	-175.2	-52.2	-50.2	0	0	0	109.3	P227 L228 R231 V240 C241 P292 E342 C346 S347	P227-I344 HydrophobicContact CB-CG2 3.65Å; L228-I344 HydrophobicContact CD2-CB 3.93Å; L228-I344 HydrophobicContact CD2-CG1 3.8Å; R231-I344 HydrophobicContact CG-CD1 3.7Å; R231-I344 HydrophobicContact CG-CG1 4.28Å; V240-I344 HydrophobicContact CB-CD1 4.32Å; V240-I344 HydrophobicContact CB-CG1 3.87Å; V240-I344 HydrophobicContact CG1-CD1 4.03Å; V240-I344 HydrophobicContact CG1-CG1 4.11Å; C241-I344 PolarHBondContact O-N 3.35Å; P292-I344 HydrophobicContact CB-CD1 3.81Å; P292-I344 HydrophobicContact CG-CD1 4.19Å; E342-I344 HydrophobicContact CB-CD1 3.91Å; I344-C346 PolarHBondContact O-N 3.38Å; I344-S347 PolarHBondContact O-N 3.18Å
345	P	95.4	Very high	95.4	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.019	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-14.8	-173.2	-21.2	33.3	0	0	0	115	A259 D291 I343 H348	A259-P345 HydrophobicContact CB-CB 4.13Å; D291-P345 WeakPolarHBondContact O-CG 3.46Å; I343-P345 WeakPolarHBondContact O-CD 3.37Å; P345-H348 PolarHBondContact O-NE2 2.89Å
346	C	94.9	Very high	94.2	Very high	33 Å²	33	39 Å²	39	22%	0.223	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-13.6	173.8	-68.5	0	0	0	0	113.6	P227 I344	P227-C346 HydrophobicContact CB-CB 4.04Å; P227-C346 HydrophobicContact CG-CB 3.95Å; I344-C346 PolarHBondContact O-N 3.38Å
347	S	97	Very high	93.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.2	-179.5	-179.3	0	0	0	0	109.8	W224 L228 P242 V243 I344	W224-S347 VanDerWaalsContact O-CB 3.22Å; W224-S347 WeakPolarHBondContact O-CB 3.24Å; W224-S347 PolarHBondContact O-OG 3.14Å; L228-S347 WeakPolarHBondContact CD1-OG 3.45Å; L228-S347 WeakPolarHBondContact CG-OG 3.28Å; P242-S347 CarbonylContact C-O 3.58Å; P242-S347 WeakPolarHBondContact CA-O 3.45Å; P242-S347 WeakPolarHBondContact CB-O 2.83Å; P242-S347 WeakPolarHBondContact CB-OG 3.43Å; V243-S347 PolarHBondContact N-O 3.16Å; I344-S347 PolarHBondContact O-N 3.18Å
348	H	97.7	Very high	92.3	Very high	6 Å²	6	45 Å²	45	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.1	-178.4	-72.7	-100.8	0	0	0	111.2	M221 W224 D245 Y256 S257 P345	M221-H348 HydrophobicContact CB-CB 3.97Å; M221-H348 WeakPolarHBondContact CB-O 3.27Å; M221-H348 HydrophobicContact CG-CB 3.91Å; M221-H348 PolarHBondContact N-O 2.72Å; W224-H348 WeakPolarHBondContact CB-O 3.4Å; D245-H348 IonicContact OD1-ND1 3.69Å; D245-H348 IonicContact OD2-CE1 3.88Å; D245-H348 IonicContact OD2-CG 3.52Å; D245-H348 IonicContact OD2-ND1 2.79Å; D245-H348 PolarHBondContact OD2-ND1 2.78Å; Y256-H348 AromaticContact CD2-ND1 3.83Å; Y256-H348 HydrophobicContact CE2-CB 4.08Å; Y256-H348 AromaticContact CE2-CD2 3.64Å; Y256-H348 AromaticContact CE2-CE1 3.48Å; Y256-H348 VanDerWaalsContact CE2-CE1 3.48Å; Y256-H348 WeakPolarHBondContact CE2-CE1 3.46Å; Y256-H348 AromaticContact CE2-CG 3.44Å; Y256-H348 VanDerWaalsContact CE2-CG 3.44Å; Y256-H348 AromaticContact CE2-ND1 3.34Å; Y256-H348 VanDerWaalsContact CE2-ND1 3.34Å; Y256-H348 WeakPolarHBondContact CE2-ND1 3.46Å; Y256-H348 AromaticContact CE2-NE2 3.63Å; Y256-H348 AromaticContact CZ-CD2 3.88Å; Y256-H348 AromaticContact CZ-CE1 3.46Å; Y256-H348 VanDerWaalsContact CZ-CE1 3.46Å; Y256-H348 AromaticContact CZ-ND1 3.84Å; Y256-H348 AromaticContact CZ-NE2 3.43Å; Y256-H348 PolarHBondContact OH-CD2 2.81Å; Y256-H348 PolarHBondContact OH-CE1 3.08Å; Y256-H348 PolarHBondContact OH-NE2 2.94Å; S257-H348 PolarHBondContact O-CE1 2.85Å; S257-H348 VanDerWaalsContact O-CE1 3.23Å; P345-H348 PolarHBondContact O-NE2 2.89Å
349	V	98.5	Very high	91.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	122.3	172.1	-176.1	0	0	0	0	107.8	L214 C218 W224 P242 V243 I244 D245 L302	L214-V349 HydrophobicContact CD2-CG1 4.25Å; C218-V349 HydrophobicContact CB-CG1 3.77Å; W224-V349 HydrophobicContact CB-CG2 4.42Å; W224-V349 HydrophobicContact CD2-CG2 4.09Å; W224-V349 HydrophobicContact CE3-CG2 3.46Å; W224-V349 VanDerWaalsContact CE3-CG2 3.46Å; W224-V349 HydrophobicContact CZ3-CG2 4.06Å; P242-V349 HydrophobicContact CB-CB 4.28Å; P242-V349 HydrophobicContact CB-CG2 3.81Å; P242-V349 HydrophobicContact CG-CB 4.14Å; P242-V349 HydrophobicContact CG-CG2 3.86Å; V243-V349 PolarHBondContact O-N 2.9Å; I244-V349 WeakPolarHBondContact CA-O 3.24Å; D245-V349 PolarHBondContact N-O 2.83Å; L302-V349 HydrophobicContact CD2-CB 3.61Å; L302-V349 HydrophobicContact CD2-CG1 3.35Å; L302-V349 HydrophobicContact CD2-CG2 4.41Å
350	G	98.1	Very high	90.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144.1	175.7	0	0	0	0	0	110.2	C218 E219 D245 I247 Y254	C218-G350 CarbonylContact C-O 3.59Å; C218-G350 WeakPolarHBondContact CA-O 3.25Å; C218-G350 VanDerWaalsContact CB-O 3.28Å; C218-G350 WeakPolarHBondContact CB-O 3.38Å; E219-G350 PolarHBondContact N-O 2.86Å; E219-G350 PolarHBondContact O-N 2.04Å; D245-G350 CarbonylContact O-C 3.59Å; D245-G350 WeakPolarHBondContact O-CA 3.47Å; I247-G350 VanDerWaalsContact CD1-C 3.47Å; Y254-G350 PolarHBondContact OH-N 3.49Å
351	H	98.1	Very high	89.2	Confident	19 Å²	19	53.1 Å²	53.1	9%	0.088	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.2	179.4	-179.8	-90	0	0	0	110.4	D215 H217 I244 D245 I247 F353	D215-H351 IonicContact OD2-CD2 2.67Å; D215-H351 IonicContact OD2-CE1 2.78Å; D215-H351 IonicContact OD2-NE2 3.13Å; D215-H351 PolarHBondContact OD2-NE2 3.19Å; H217-H351 AromaticContact CD2-CD2 3.82Å; H217-H351 AromaticContact CD2-CE1 3.72Å; H217-H351 AromaticContact CD2-NE2 3.37Å; H217-H351 PolarHBondContact CD2-NE2 2.95Å; H217-H351 AromaticContact NE2-CE1 3.57Å; H217-H351 AromaticContact NE2-NE2 3.17Å; H217-H351 PolarHBondContact NE2-NE2 3.08Å; H217-H351 VanDerWaalsContact NE2-NE2 3.17Å; I244-H351 HydrophobicContact CG2-CB 3.54Å; D245-H351 PolarHBondContact O-N 3.24Å; I247-H351 PolarHBondContact N-O 3.26Å; H351-F353 HydrophobicContact CB-CD2 4.47Å; H351-F353 HydrophobicContact CB-CE2 4.07Å; H351-F353 HydrophobicContact CB-CZ 4.46Å; H351-F353 AromaticContact ND1-CD1 3.85Å; H351-F353 AromaticContact ND1-CD2 3.84Å; H351-F353 AromaticContact ND1-CE1 3.96Å; H351-F353 AromaticContact ND1-CE2 3.96Å; H351-F353 AromaticContact ND1-CG 3.81Å; H351-F353 WeakPolarHBondContact O-CD2 3.18Å; H351-F353 PolarHBondContact O-N 3.13Å
352	V	96.7	Very high	88	Confident	11 Å²	11	59 Å²	59	7%	0.067	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	97.3	174.3	-175.8	0	0	0	0	109.7	H217 I247 D249 F252 R354	H217-V352 HydrophobicContact CB-CB 4.17Å; H217-V352 HydrophobicContact CB-CG2 4.25Å; H217-V352 PolarHBondContact CD2-O 2.92Å; H217-V352 PolarHBondContact O-N 3.34Å; I247-V352 HydrophobicContact CB-CG2 3.89Å; I247-V352 HydrophobicContact CD1-CG2 4.38Å; I247-V352 HydrophobicContact CG2-CG2 3.84Å; D249-V352 HydrophobicContact CB-CG1 3.83Å; F252-V352 HydrophobicContact CE1-CG2 3.97Å; F252-V352 HydrophobicContact CZ-CG2 4.37Å; V352-R354 PolarHBondContact O-N 3Å
353	F	87.8	Confident	86.8	Confident	81 Å²	81	65.7 Å²	65.7	36%	0.355	30%	0.304	S	S	.	.			trans	-74.1	120.1	177.8	-72.9	-87.3	0	0	0	111.2	I244 V246 H351	I244-F353 HydrophobicContact CG2-CE2 3.96Å; I244-F353 HydrophobicContact CG2-CZ 3.67Å; V246-F353 HydrophobicContact CB-CD2 4.22Å; V246-F353 HydrophobicContact CB-CE2 4.42Å; V246-F353 HydrophobicContact CG1-CD2 4.12Å; V246-F353 HydrophobicContact CG2-CD2 3.81Å; V246-F353 HydrophobicContact CG2-CE2 3.77Å; H351-F353 HydrophobicContact CB-CD2 4.47Å; H351-F353 HydrophobicContact CB-CE2 4.07Å; H351-F353 HydrophobicContact CB-CZ 4.46Å; H351-F353 AromaticContact ND1-CD1 3.85Å; H351-F353 AromaticContact ND1-CD2 3.84Å; H351-F353 AromaticContact ND1-CE1 3.96Å; H351-F353 AromaticContact ND1-CE2 3.96Å; H351-F353 AromaticContact ND1-CG 3.81Å; H351-F353 WeakPolarHBondContact O-CD2 3.18Å; H351-F353 PolarHBondContact O-N 3.13Å
354	R	80.6	Confident	85.6	Confident	84 Å²	84	69.3 Å²	69.3	32%	0.317	34%	0.344	S	S	.	.			trans	-92.5	142.5	-178.1	-61.1	175.2	179	161.2	-3	111.6	E134 H217 V352 R356 P358 Y359	E134-R354 IonicContact OE1-NH2 3.94Å; E134-R354 PolarHBondContact OE1-NH2 3.46Å; E134-R354 IonicContact OE2-CZ 2.81Å; E134-R354 IonicContact OE2-NH2 3.44Å; E134-R354 PolarHBondContact OE2-NH2 2.92Å; H217-R354 PolarHBondContact ND1-NH2 2.92Å; V352-R354 PolarHBondContact O-N 3Å; R354-R356 VanDerWaalsContact C-N 3.29Å; R354-R356 PolarHBondContact O-N 2.77Å; R354-P358 VanDerWaalsContact NH1-CG 3.34Å; R354-Y359 PolarHBondContact NH1-OH 3.33Å
355	K	77.1	Confident	84.5	Confident	150 Å²	150	72.3 Å²	72.3	65%	0.652	36%	0.362	S	S	*	.	S	Bend	trans	-67.6	-26	173.6	-61.2	174.5	-169.5	169.8	0	113.3	E250	E250-K355 IonicContact OE1-NZ 2.9Å; E250-K355 PolarHBondContact OE1-NZ 3.45Å
356	R	74.2	Confident	84	Confident	223 Å²	223	76.7 Å²	76.7	84%	0.842	39%	0.385	S	S	*	.	S	Bend	trans	-146.8	149.5	-179.9	-62.4	-176.2	-176.8	179.5	1	110.9	R354	R354-R356 VanDerWaalsContact C-N 3.29Å; R354-R356 PolarHBondContact O-N 2.77Å
357	S	78.6	Confident	83.7	Confident	60 Å²	60	75.3 Å²	75.3	42%	0.42	38%	0.376	S	S	.	.			trans	-68	126.9	170.9	177.3	0	0	0	0	110	Y359	S357-Y359 PolarHBondContact O-N 2.71Å; S357-Y359 WeakPolarHBondContact OG-CD2 3.42Å; S357-Y359 PolarHBondContact OG-N 3.39Å
358	P	77.4	Confident	83.3	Confident	84 Å²	84	77.9 Å²	77.9	55%	0.545	39%	0.392	S	S	.	.			trans	-81.8	-1.7	178.5	33.7	-35.1	0	0	0	113.1	R354	R354-P358 VanDerWaalsContact NH1-CG 3.34Å
359	Y	78.7	Confident	83	Confident	63 Å²	63	81.6 Å²	81.6	25%	0.247	41%	0.405	C	S	.	.	S	Bend	trans	-89	140.3	-168.6	-58.5	-54	0	0	0	112.9	H132 R354 S357 W361	H132-Y359 HydrophobicContact CB-CE1 4.06Å; H132-Y359 AromaticContact CD2-CD1 3.7Å; H132-Y359 AromaticContact CD2-CE1 3.93Å; R354-Y359 PolarHBondContact NH1-OH 3.33Å; S357-Y359 PolarHBondContact O-N 2.71Å; S357-Y359 WeakPolarHBondContact OG-CD2 3.42Å; S357-Y359 PolarHBondContact OG-N 3.39Å; Y359-W361 PolarHBondContact O-N 2.7Å
360	K	73.9	Confident	82.8	Confident	170 Å²	170	84 Å²	84	74%	0.739	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-71	125.5	170.1	-67.3	179.9	-179	173.4	0	109.7	R192	R192-K360 PolarHBondContact NH1-O 2.67Å
361	W	77.4	Confident	82.7	Confident	107 Å²	107	84 Å²	84	41%	0.405	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-85.2	158.3	174	-60.8	102.1	0	0	0	110.8	I322 W323 Y359 T363	I322-W361 HydrophobicContact CB-CZ3 4.26Å; I322-W361 HydrophobicContact CD1-CE3 4.32Å; I322-W361 HydrophobicContact CG2-CE3 4.27Å; I322-W361 HydrophobicContact CG2-CZ3 3.84Å; W323-W361 HydrophobicContact CB-CH2 4.17Å; W323-W361 HydrophobicContact CB-CZ3 4.3Å; W323-W361 HydrophobicContact CD2-CH2 4.47Å; W323-W361 AromaticContact CE3-CH2 3.86Å; W323-W361 HydrophobicContact CE3-CH2 3.86Å; Y359-W361 PolarHBondContact O-N 2.7Å; W361-T363 PolarHBondContact O-N 3.05Å
362	R	73.1	Confident	82.6	Confident	125 Å²	125	83.3 Å²	83.3	47%	0.472	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-66.7	128.9	169.7	-81.5	171.6	176.4	-162.8	-7.3	109.5	D321 I322	D321-R362 IonicContact OD1-CZ 3.43Å; D321-R362 IonicContact OD1-NE 3.57Å; D321-R362 IonicContact OD1-NH1 3.71Å; D321-R362 PolarHBondContact OD1-NH1 2.69Å; D321-R362 VanDerWaalsContact OD2-CD 3.26Å; D321-R362 WeakPolarHBondContact OD2-CD 3.45Å; D321-R362 IonicContact OD2-CZ 3.28Å; D321-R362 IonicContact OD2-NE 2.74Å; D321-R362 IonicContact OD2-NH1 2.86Å; D321-R362 PolarHBondContact OD2-NH1 2.97Å; I322-R362 HydrophobicContact CD1-CG 4.1Å
363	T	72.4	Confident	82.7	Confident	146 Å²	146	82.8 Å²	82.8	90%	0.896	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	135.6	176.8	-44.2	0	0	0	0	110.3	W361 V365	W361-T363 PolarHBondContact O-N 3.05Å; T363-V365 VanDerWaalsContact C-N 3.34Å; T363-V365 PolarHBondContact O-N 2.98Å
364	G	73	Confident	83.2	Confident	85 Å²	85	79.3 Å²	79.3	88%	0.876	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-8.7	172.6	0	0	0	0	0	116.6
365	V	74.8	Confident	84	Confident	68 Å²	68	75.4 Å²	75.4	41%	0.412	38%	0.378	S	S	.	.			trans	-118	122.5	179.2	-177.2	0	0	0	0	110.2	T363 V367	T363-V365 VanDerWaalsContact C-N 3.34Å; T363-V365 PolarHBondContact O-N 2.98Å; V365-V367 VanDerWaalsContact C-N 3.28Å; V365-V367 HydrophobicContact CB-CG2 4.45Å; V365-V367 HydrophobicContact CG1-CG2 4.16Å; V365-V367 PolarHBondContact O-N 3.19Å
366	N	84	Confident	85	Confident	95 Å²	95	68.2 Å²	68.2	51%	0.508	35%	0.347	S	S	.	.			trans	-76.9	85.2	166.1	-171.3	-28.9	0	0	0	109	V368 R369 R370	N366-V368 VanDerWaalsContact C-N 3.31Å; N366-V368 PolarHBondContact O-N 3.33Å; N366-R369 HydrophobicContact CB-CB 3.95Å; N366-R369 VanDerWaalsContact CG-CB 3.48Å; N366-R369 PolarHBondContact O-N 3.29Å; N366-R369 WeakPolarHBondContact OD1-CB 3.12Å; N366-R369 PolarHBondContact OD1-N 3.28Å; N366-R370 PolarHBondContact O-N 3.42Å
367	V	88.4	Confident	86.1	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-56.1	-43.9	-175.2	170.7	0	0	0	0	112.1	D321 I322 V365 R370 N371	D321-V367 HydrophobicContact CB-CG1 3.88Å; D321-V367 WeakPolarHBondContact O-CG1 3.35Å; I322-V367 HydrophobicContact CB-CG1 4.15Å; I322-V367 HydrophobicContact CD1-CG2 4.42Å; V365-V367 VanDerWaalsContact C-N 3.28Å; V365-V367 HydrophobicContact CB-CG2 4.45Å; V365-V367 HydrophobicContact CG1-CG2 4.16Å; V365-V367 PolarHBondContact O-N 3.19Å; V367-R370 WeakPolarHBondContact O-CB 3.23Å; V367-R370 PolarHBondContact O-N 3.36Å; V367-N371 PolarHBondContact O-N 3.24Å
368	V	88.9	Confident	87.1	Confident	55 Å²	55	56.2 Å²	56.2	33%	0.333	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-44.2	-180	-179.2	0	0	0	0	110.9	W323 N366 R370 N371 S372	W323-V368 HydrophobicContact CE3-CG2 4.33Å; W323-V368 HydrophobicContact CZ3-CG2 4.42Å; N366-V368 VanDerWaalsContact C-N 3.31Å; N366-V368 PolarHBondContact O-N 3.33Å; V368-R370 PolarHBondContact O-N 2.81Å; V368-N371 PolarHBondContact O-N 3.13Å; V368-S372 VanDerWaalsContact O-CB 3.26Å; V368-S372 WeakPolarHBondContact O-CB 3.45Å; V368-S372 PolarHBondContact O-N 2.9Å; V368-S372 PolarHBondContact O-OG 3.22Å
369	R	91.6	Very high	88.1	Confident	84 Å²	84	52.2 Å²	52.2	32%	0.317	27%	0.268	S	S	.	.	H	α-helix	trans	-59	-48.4	174.2	178.1	-177.3	-73	-166.2	-3.1	110.5	N366 N371 S372 V373 L391 K394	N366-R369 HydrophobicContact CB-CB 3.95Å; N366-R369 VanDerWaalsContact CG-CB 3.48Å; N366-R369 PolarHBondContact O-N 3.29Å; N366-R369 WeakPolarHBondContact OD1-CB 3.12Å; N366-R369 PolarHBondContact OD1-N 3.28Å; R369-N371 PolarHBondContact O-N 3.32Å; R369-S372 PolarHBondContact O-N 2.97Å; R369-V373 HydrophobicContact CG-CG2 4.25Å; R369-V373 WeakPolarHBondContact O-CG2 3.35Å; R369-V373 PolarHBondContact O-N 3.49Å; R369-L391 HydrophobicContact CG-CD1 4Å; R369-L391 HydrophobicContact CG-CD2 4.33Å; R369-K394 PolarHBondContact NH1-O 3.38Å; R369-K394 VanDerWaalsContact NH1-O 3.08Å
370	R	94.5	Very high	89	Confident	51 Å²	51	49.2 Å²	49.2	19%	0.192	26%	0.257	C	S	.	.	H	α-helix	trans	-56	-51.4	-178.7	-171	-177.7	161.4	-77.6	-1.5	111.4	G319 N366 V367 V368 S372 V373 R374 D397	G319-R370 PolarHBondContact O-NH1 3.02Å; G319-R370 PolarHBondContact O-NH2 2.96Å; G319-R370 VanDerWaalsContact O-NH2 3.09Å; N366-R370 PolarHBondContact O-N 3.42Å; V367-R370 WeakPolarHBondContact O-CB 3.23Å; V367-R370 PolarHBondContact O-N 3.36Å; V368-R370 PolarHBondContact O-N 2.81Å; R370-S372 VanDerWaalsContact C-N 3.35Å; R370-S372 PolarHBondContact O-N 3.01Å; R370-V373 PolarHBondContact O-N 3.28Å; R370-R374 WeakPolarHBondContact O-CG 3.01Å; R370-R374 PolarHBondContact O-N 2.04Å; R370-R374 VanDerWaalsContact O-N 3.15Å; R370-D397 WeakPolarHBondContact CG-O 3.37Å
371	N	96.1	Very high	90.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-41.4	179.2	-64.3	-7.8	0	0	0	111.9	F320 D321 G324 V367 V368 R369 V373 R374 L375	F320-N371 WeakPolarHBondContact CA-OD1 3.44Å; F320-N371 HydrophobicContact CD1-CB 4.07Å; F320-N371 HydrophobicContact CD2-CB 4.12Å; F320-N371 HydrophobicContact CE1-CB 4.32Å; F320-N371 WeakPolarHBondContact CE1-O 3.43Å; F320-N371 HydrophobicContact CE2-CB 4.35Å; F320-N371 HydrophobicContact CG-CB 3.98Å; F320-N371 HydrophobicContact CZ-CB 4.45Å; D321-N371 PolarHBondContact N-OD1 3.19Å; D321-N371 PolarHBondContact O-ND2 3.37Å; G324-N371 WeakPolarHBondContact O-CB 3.45Å; G324-N371 PolarHBondContact O-ND2 3.13Å; V367-N371 PolarHBondContact O-N 3.24Å; V368-N371 PolarHBondContact O-N 3.13Å; R369-N371 PolarHBondContact O-N 3.32Å; N371-V373 PolarHBondContact O-N 3.47Å; N371-R374 WeakPolarHBondContact O-CB 3.13Å; N371-R374 PolarHBondContact O-N 3.44Å; N371-L375 PolarHBondContact O-N 3.39Å
372	S	96.4	Very high	91.1	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.028	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-35.6	179.6	-58.7	0	0	0	0	112.5	V368 R369 R370 L375 A376 Y387	V368-S372 VanDerWaalsContact O-CB 3.26Å; V368-S372 WeakPolarHBondContact O-CB 3.45Å; V368-S372 PolarHBondContact O-N 2.9Å; V368-S372 PolarHBondContact O-OG 3.22Å; R369-S372 PolarHBondContact O-N 2.97Å; R370-S372 VanDerWaalsContact C-N 3.35Å; R370-S372 PolarHBondContact O-N 3.01Å; S372-L375 PolarHBondContact O-N 2.8Å; S372-A376 VanDerWaalsContact O-CB 3.29Å; S372-A376 WeakPolarHBondContact O-CB 3.25Å; S372-A376 PolarHBondContact O-N 3.3Å; S372-Y387 WeakPolarHBondContact CB-OH 3.37Å
373	V	97.2	Very high	92.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-41.6	172.7	175.8	0	0	0	0	111.2	R369 R370 N371 A376 E377 Y387 L391 L395 Y398	R369-V373 HydrophobicContact CG-CG2 4.25Å; R369-V373 WeakPolarHBondContact O-CG2 3.35Å; R369-V373 PolarHBondContact O-N 3.49Å; R370-V373 PolarHBondContact O-N 3.28Å; N371-V373 PolarHBondContact O-N 3.47Å; V373-A376 PolarHBondContact O-N 2.96Å; V373-E377 WeakPolarHBondContact O-CB 3.43Å; V373-E377 PolarHBondContact O-N 3.27Å; V373-Y387 HydrophobicContact CG2-CE1 3.8Å; V373-L391 HydrophobicContact CG2-CD1 3.81Å; V373-L395 HydrophobicContact CG1-CB 4.26Å; V373-L395 HydrophobicContact CG2-CB 4.46Å; V373-Y398 HydrophobicContact CB-CD1 4.46Å; V373-Y398 HydrophobicContact CB-CG 4.36Å; V373-Y398 HydrophobicContact CG1-CD1 3.36Å; V373-Y398 HydrophobicContact CG1-CD2 4.32Å; V373-Y398 HydrophobicContact CG1-CE1 3.97Å; V373-Y398 HydrophobicContact CG1-CG 3.55Å
374	R	98	Very high	93.5	Very high	8 Å²	8	36.8 Å²	36.8	3%	0.03	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-46.5	174.5	-67.7	178.7	65.9	74.7	3.6	111.8	D317 F320 R370 N371 A376 E377 V378 Y398 G399 D400 V401	D317-R374 IonicContact OD1-NH2 3.54Å; D317-R374 PolarHBondContact OD1-NH2 2.85Å; D317-R374 VanDerWaalsContact OD1-NH2 3.13Å; D317-R374 IonicContact OD2-CZ 3.85Å; D317-R374 VanDerWaalsContact OD2-CZ 3.24Å; D317-R374 IonicContact OD2-NE 2.73Å; D317-R374 PolarHBondContact OD2-NE 3.15Å; D317-R374 IonicContact OD2-NH2 3.56Å; D317-R374 PolarHBondContact OD2-NH2 3.33Å; F320-R374 HydrophobicContact CD1-CB 4.29Å; F320-R374 HydrophobicContact CE1-CB 3.65Å; R370-R374 WeakPolarHBondContact O-CG 3.01Å; R370-R374 PolarHBondContact O-N 2.04Å; R370-R374 VanDerWaalsContact O-N 3.15Å; N371-R374 WeakPolarHBondContact O-CB 3.13Å; N371-R374 PolarHBondContact O-N 3.44Å; R374-A376 VanDerWaalsContact C-N 3.32Å; R374-A376 PolarHBondContact O-N 3.25Å; R374-E377 PolarHBondContact O-N 2.91Å; R374-V378 VanDerWaalsContact O-CG2 3.32Å; R374-V378 WeakPolarHBondContact O-CG2 3.26Å; R374-V378 PolarHBondContact O-N 2.98Å; R374-Y398 WeakPolarHBondContact CD-O 3.48Å; R374-Y398 HydrophobicContact CG-CD2 4.3Å; R374-Y398 WeakPolarHBondContact CG-O 3.44Å; R374-Y398 PolarHBondContact NH1-O 2.84Å; R374-G399 PolarHBondContact NH1-O 3.36Å; R374-D400 PolarHBondContact NH1-O 3.03Å; R374-D400 PolarHBondContact NH2-O 3.45Å; R374-V401 HydrophobicContact CB-CG1 4.07Å; R374-V401 HydrophobicContact CG-CG1 4.07Å
375	L	98.1	Very high	94.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-55.8	-48.9	173	172.7	161.9	0	0	0	110.7	L271 F320 G325 L328 E329 F332 N371 S372 E377 V378 W379 L380	L271-L375 HydrophobicContact CD1-CD2 3.88Å; L271-L375 HydrophobicContact CD2-CD2 4.35Å; F320-L375 HydrophobicContact CZ-CB 4.05Å; G325-L375 WeakPolarHBondContact O-CD1 3.44Å; L328-L375 HydrophobicContact CB-CD1 3.56Å; E329-L375 HydrophobicContact CB-CD1 3.89Å; E329-L375 HydrophobicContact CB-CG 4.37Å; F332-L375 HydrophobicContact CD2-CD1 4.28Å; F332-L375 HydrophobicContact CD2-CD2 4.09Å; F332-L375 HydrophobicContact CD2-CG 4.22Å; F332-L375 HydrophobicContact CE2-CD1 4.06Å; F332-L375 HydrophobicContact CE2-CD2 3.64Å; F332-L375 HydrophobicContact CE2-CG 4.16Å; N371-L375 PolarHBondContact O-N 3.39Å; S372-L375 PolarHBondContact O-N 2.8Å; L375-E377 VanDerWaalsContact C-N 3.35Å; L375-E377 PolarHBondContact O-N 2.75Å; L375-V378 PolarHBondContact O-N 2.95Å; L375-V378 VanDerWaalsContact O-N 3.17Å; L375-W379 WeakPolarHBondContact O-CB 3.47Å; L375-W379 PolarHBondContact O-N 3.06Å; L375-L380 HydrophobicContact CD2-CD1 4.15Å; L375-L380 HydrophobicContact CD2-CD2 4.33Å; L375-L380 HydrophobicContact CD2-CG 4.08Å
376	A	98.2	Very high	95.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-43.6	-176.6	0	0	0	0	0	112.1	L271 S372 V373 R374 V378 L380 K384 Y387 Y388	L271-A376 HydrophobicContact CD1-CB 4.3Å; S372-A376 VanDerWaalsContact O-CB 3.29Å; S372-A376 WeakPolarHBondContact O-CB 3.25Å; S372-A376 PolarHBondContact O-N 3.3Å; V373-A376 PolarHBondContact O-N 2.96Å; R374-A376 VanDerWaalsContact C-N 3.32Å; R374-A376 PolarHBondContact O-N 3.25Å; A376-V378 VanDerWaalsContact C-N 3.26Å; A376-V378 PolarHBondContact O-N 2.74Å; A376-L380 HydrophobicContact CB-CD1 3.66Å; A376-L380 HydrophobicContact CB-CG 4.32Å; A376-L380 PolarHBondContact O-N 2.84Å; A376-K384 HydrophobicContact CB-CB 4.19Å; A376-Y387 HydrophobicContact CB-CD1 3.95Å; A376-Y388 HydrophobicContact CB-CE1 4.19Å
377	E	98.2	Very high	95.8	Very high	26 Å²	26	30.7 Å²	30.7	12%	0.121	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-29.2	177.5	-89.6	-64.1	143.3	0	0	113.9	V373 R374 L375 K384 Y388 Y398 V401 K405	V373-E377 WeakPolarHBondContact O-CB 3.43Å; V373-E377 PolarHBondContact O-N 3.27Å; R374-E377 PolarHBondContact O-N 2.91Å; L375-E377 VanDerWaalsContact C-N 3.35Å; L375-E377 PolarHBondContact O-N 2.75Å; E377-K384 VanDerWaalsContact CD-NZ 3.32Å; E377-K384 IonicContact OE1-NZ 2.96Å; E377-K384 PolarHBondContact OE1-NZ 3.25Å; E377-K384 IonicContact OE2-NZ 3.02Å; E377-K384 PolarHBondContact OE2-NZ 3.2Å; E377-Y388 WeakPolarHBondContact CG-OH 3.48Å; E377-Y388 PolarHBondContact OE1-OH 3.48Å; E377-Y398 HydrophobicContact CG-CE2 3.84Å; E377-V401 HydrophobicContact CB-CG2 4.21Å; E377-K405 WeakPolarHBondContact O-CE 3.48Å; E377-K405 IonicContact OE2-NZ 3.74Å; E377-K405 PolarHBondContact OE2-NZ 2.8Å
378	V	98.5	Very high	96	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	15%	0.145	C	C	.	.	H	α-helix	trans	-95.3	-37.7	-176	179.8	0	0	0	0	112	R374 L375 A376 V401 R404 K405 R408	R374-V378 VanDerWaalsContact O-CG2 3.32Å; R374-V378 WeakPolarHBondContact O-CG2 3.26Å; R374-V378 PolarHBondContact O-N 2.98Å; L375-V378 PolarHBondContact O-N 2.95Å; L375-V378 VanDerWaalsContact O-N 3.17Å; A376-V378 VanDerWaalsContact C-N 3.26Å; A376-V378 PolarHBondContact O-N 2.74Å; V378-V401 HydrophobicContact CG2-CB 3.81Å; V378-V401 HydrophobicContact CG2-CG1 4.22Å; V378-V401 HydrophobicContact CG2-CG2 4.35Å; V378-R404 HydrophobicContact CG1-CB 3.97Å; V378-R404 HydrophobicContact CG2-CB 3.7Å; V378-K405 HydrophobicContact CG2-CG 4.3Å; V378-R408 WeakPolarHBondContact O-CD 3.19Å; V378-R408 PolarHBondContact O-NH1 2.89Å
379	W	98.5	Very high	96	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-117.6	-20	-162.5	-65.1	108.9	0	0	0	115.6	E329 F332 K333 M336 L375 R408 C413 F416	E329-W379 PolarHBondContact OE1-NE1 2.78Å; E329-W379 VanDerWaalsContact OE1-NE1 3.1Å; F332-W379 HydrophobicContact CB-CB 4.25Å; F332-W379 HydrophobicContact CB-CD2 4.29Å; F332-W379 HydrophobicContact CB-CE3 4.37Å; F332-W379 HydrophobicContact CB-CG 4.22Å; F332-W379 HydrophobicContact CD2-CB 3.85Å; F332-W379 HydrophobicContact CD2-CG 4.38Å; F332-W379 HydrophobicContact CG-CB 4.48Å; K333-W379 HydrophobicContact CB-CH2 4.29Å; K333-W379 HydrophobicContact CB-CZ2 4.35Å; K333-W379 HydrophobicContact CD-CZ2 4.1Å; K333-W379 HydrophobicContact CG-CH2 3.45Å; K333-W379 VanDerWaalsContact CG-CH2 3.45Å; K333-W379 HydrophobicContact CG-CZ2 3.15Å; K333-W379 HydrophobicContact CG-CZ3 4.32Å; M336-W379 HydrophobicContact CB-CZ3 4.37Å; M336-W379 HydrophobicContact CE-CE3 3.89Å; M336-W379 HydrophobicContact CE-CZ3 4.42Å; M336-W379 HydrophobicContact SD-CE3 3.83Å; M336-W379 HydrophobicContact SD-CZ3 4.46Å; L375-W379 WeakPolarHBondContact O-CB 3.47Å; L375-W379 PolarHBondContact O-N 3.06Å; W379-R408 HydrophobicContact CE3-CG 4.43Å; W379-R408 HydrophobicContact CH2-CB 4.12Å; W379-R408 HydrophobicContact CH2-CG 4.02Å; W379-R408 HydrophobicContact CZ3-CB 4.38Å; W379-R408 HydrophobicContact CZ3-CG 3.79Å; W379-C413 HydrophobicContact CZ3-CB 4.34Å; W379-F416 WeakPolarHBondContact O-CB 3.4Å; W379-F416 VanDerWaalsContact O-CD2 3.25Å; W379-F416 WeakPolarHBondContact O-CD2 3.2Å
380	L	98.5	Very high	95.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.141	C	C	.	.			trans	-94.7	-0.1	-172.1	-59.8	-178.3	0	0	0	114.6	L271 F332 L375 A376 D382 Y383 K384 F416	L271-L380 HydrophobicContact CD1-CD1 4.07Å; L271-L380 HydrophobicContact CD2-CD1 3.85Å; F332-L380 HydrophobicContact CD2-CD2 4.45Å; F332-L380 HydrophobicContact CE2-CD2 3.78Å; F332-L380 HydrophobicContact CZ-CD2 4.26Å; L375-L380 HydrophobicContact CD2-CD1 4.15Å; L375-L380 HydrophobicContact CD2-CD2 4.33Å; L375-L380 HydrophobicContact CD2-CG 4.08Å; A376-L380 HydrophobicContact CB-CD1 3.66Å; A376-L380 HydrophobicContact CB-CG 4.32Å; A376-L380 PolarHBondContact O-N 2.84Å; L380-D382 PolarHBondContact O-N 3.38Å; L380-Y383 WeakPolarHBondContact O-CA 3.48Å; L380-Y383 VanDerWaalsContact O-CB 3.23Å; L380-Y383 WeakPolarHBondContact O-CB 3.38Å; L380-Y383 PolarHBondContact O-N 3.29Å; L380-K384 HydrophobicContact CB-CB 4Å; L380-K384 PolarHBondContact O-N 3.06Å; L380-F416 HydrophobicContact CD2-CD1 4.18Å; L380-F416 HydrophobicContact CD2-CD2 3.81Å; L380-F416 HydrophobicContact CD2-CE1 3.73Å; L380-F416 HydrophobicContact CD2-CE2 3.33Å; L380-F416 HydrophobicContact CD2-CG 4.21Å; L380-F416 HydrophobicContact CD2-CZ 3.27Å
381	D	98.3	Very high	95.2	Very high	52 Å²	52	29.4 Å²	29.4	28%	0.278	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	47	-132.1	-177.5	-60.3	-27.7	0	0	0	111.4	Y383 K384 R408 S415 F416	D381-Y383 PolarHBondContact O-N 2.87Å; D381-K384 WeakPolarHBondContact O-CD 3.37Å; D381-K384 VanDerWaalsContact O-CG 3.24Å; D381-K384 WeakPolarHBondContact O-CG 3.08Å; D381-K384 PolarHBondContact O-N 3.3Å; D381-R408 IonicContact OD1-CZ 3.36Å; D381-R408 VanDerWaalsContact OD1-CZ 3.23Å; D381-R408 IonicContact OD1-NH1 2.77Å; D381-R408 PolarHBondContact OD1-NH1 2.77Å; D381-R408 IonicContact OD1-NH2 2.67Å; D381-R408 PolarHBondContact OD1-NH2 3.13Å; D381-R408 IonicContact OD2-CZ 3.36Å; D381-R408 IonicContact OD2-NH2 3.52Å; D381-R408 PolarHBondContact OD2-NH2 3.42Å; D381-S415 WeakPolarHBondContact OD2-CA 3.3Å; D381-F416 HydrophobicContact CB-CB 4.26Å; D381-F416 PolarHBondContact OD2-N 3.47Å
382	D	97	Very high	94.7	Very high	131 Å²	131	34.7 Å²	34.7	70%	0.701	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-72.1	-11.1	177.7	-65.6	-29	0	0	0	113.9	L380 K384 K385	L380-D382 PolarHBondContact O-N 3.38Å; D382-K384 VanDerWaalsContact C-N 3.26Å; D382-K384 PolarHBondContact O-N 3.28Å; D382-K385 VanDerWaalsContact O-CD 3.32Å; D382-K385 WeakPolarHBondContact O-CD 3.41Å; D382-K385 VanDerWaalsContact O-CG 3.31Å; D382-K385 WeakPolarHBondContact O-CG 3.42Å
383	Y	97.7	Very high	94.3	Very high	47 Å²	47	41 Å²	41	18%	0.184	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-78.3	-12.4	178.4	-60.1	-100.2	0	0	0	112.3	W269 L380 D381 K385 Y386 F416 K417 L420 V429	W269-Y383 AromaticContact CH2-CD1 3.77Å; W269-Y383 HydrophobicContact CH2-CD1 3.77Å; W269-Y383 HydrophobicContact CH2-CG 4.24Å; W269-Y383 HydrophobicContact CZ3-CD1 4.49Å; L380-Y383 WeakPolarHBondContact O-CA 3.48Å; L380-Y383 VanDerWaalsContact O-CB 3.23Å; L380-Y383 WeakPolarHBondContact O-CB 3.38Å; L380-Y383 PolarHBondContact O-N 3.29Å; D381-Y383 PolarHBondContact O-N 2.87Å; Y383-K385 PolarHBondContact O-N 3.09Å; Y383-K385 VanDerWaalsContact O-N 3.08Å; Y383-Y386 HydrophobicContact CD1-CD2 4.23Å; Y383-Y386 AromaticContact CD1-CE2 3.78Å; Y383-Y386 HydrophobicContact CD1-CE2 3.78Å; Y383-Y386 HydrophobicContact CG-CE2 4.48Å; Y383-Y386 WeakPolarHBondContact O-CD2 3.42Å; Y383-Y386 PolarHBondContact O-N 3.46Å; Y383-F416 HydrophobicContact CD2-CB 4.36Å; Y383-F416 AromaticContact CD2-CD1 3.69Å; Y383-F416 HydrophobicContact CD2-CD1 3.69Å; Y383-F416 HydrophobicContact CE2-CD1 4.41Å; Y383-F416 AromaticContact CG-CD1 3.76Å; Y383-F416 HydrophobicContact CG-CD1 3.76Å; Y383-F416 HydrophobicContact CG-CE1 4.25Å; Y383-K417 HydrophobicContact CE2-CB 4.1Å; Y383-L420 HydrophobicContact CD1-CD1 3.65Å; Y383-L420 HydrophobicContact CD2-CD1 4.5Å; Y383-L420 HydrophobicContact CE1-CD1 3.36Å; Y383-L420 HydrophobicContact CE2-CD1 4.26Å; Y383-L420 HydrophobicContact CG-CD1 4.23Å; Y383-V429 HydrophobicContact CD1-CG1 4Å; Y383-V429 HydrophobicContact CE1-CG1 3.79Å
384	K	97.4	Very high	93.9	Very high	57 Å²	57	48.2 Å²	48.2	25%	0.248	22%	0.219	C	C	.	.	H	α-helix	trans	-55.8	-26.8	175.1	71.9	-171.5	-177	166.4	0	113.3	A376 E377 L380 D381 D382 Y386 Y387 Y388	A376-K384 HydrophobicContact CB-CB 4.19Å; E377-K384 VanDerWaalsContact CD-NZ 3.32Å; E377-K384 IonicContact OE1-NZ 2.96Å; E377-K384 PolarHBondContact OE1-NZ 3.25Å; E377-K384 IonicContact OE2-NZ 3.02Å; E377-K384 PolarHBondContact OE2-NZ 3.2Å; L380-K384 HydrophobicContact CB-CB 4Å; L380-K384 PolarHBondContact O-N 3.06Å; D381-K384 WeakPolarHBondContact O-CD 3.37Å; D381-K384 VanDerWaalsContact O-CG 3.24Å; D381-K384 WeakPolarHBondContact O-CG 3.08Å; D381-K384 PolarHBondContact O-N 3.3Å; D382-K384 VanDerWaalsContact C-N 3.26Å; D382-K384 PolarHBondContact O-N 3.28Å; K384-Y386 PolarHBondContact O-N 2.77Å; K384-Y387 PolarHBondContact O-N 3.45Å; K384-Y387 VanDerWaalsContact O-N 3.11Å; K384-Y388 HydrophobicContact CB-CE1 4.36Å; K384-Y388 HydrophobicContact CB-CE2 4.38Å; K384-Y388 HydrophobicContact CD-CE2 3.94Å; K384-Y388 HydrophobicContact CG-CD2 4.37Å; K384-Y388 HydrophobicContact CG-CE2 3.8Å; K384-Y388 WeakPolarHBondContact O-CD1 3.29Å; K384-Y388 PolarHBondContact O-N 3.43Å
385	K	94.8	Very high	93.6	Very high	91 Å²	91	49.6 Å²	49.6	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-55.3	-36.3	175.9	70.6	-168.4	174.2	-170.8	0	112.9	D382 Y383 Y387 Y388 E389	D382-K385 VanDerWaalsContact O-CD 3.32Å; D382-K385 WeakPolarHBondContact O-CD 3.41Å; D382-K385 VanDerWaalsContact O-CG 3.31Å; D382-K385 WeakPolarHBondContact O-CG 3.42Å; Y383-K385 PolarHBondContact O-N 3.09Å; Y383-K385 VanDerWaalsContact O-N 3.08Å; K385-Y387 VanDerWaalsContact C-N 3.33Å; K385-Y387 PolarHBondContact O-N 3.2Å; K385-Y388 PolarHBondContact O-N 2.98Å; K385-Y388 VanDerWaalsContact O-N 3.12Å; K385-E389 VanDerWaalsContact O-CG 3.31Å; K385-E389 WeakPolarHBondContact O-CG 3.34Å; K385-E389 PolarHBondContact O-N 3.19Å
386	Y	92.5	Very high	93.2	Very high	18 Å²	18	52.4 Å²	52.4	7%	0.071	26%	0.256	C	S	.	.	H	α-helix	trans	-67.6	-36	179.7	-60	-51.9	0	0	0	112	W269 Y383 K384 R390 V429 P430 G431	W269-Y386 HydrophobicContact CD2-CD2 4.26Å; W269-Y386 HydrophobicContact CD2-CG 4.37Å; W269-Y386 AromaticContact CE3-CD2 3.96Å; W269-Y386 HydrophobicContact CE3-CD2 3.96Å; W269-Y386 HydrophobicContact CE3-CG 4.23Å; W269-Y386 AromaticContact CH2-CD2 3.89Å; W269-Y386 HydrophobicContact CH2-CD2 3.89Å; W269-Y386 HydrophobicContact CH2-CE2 4.49Å; W269-Y386 HydrophobicContact CZ2-CD2 4.19Å; W269-Y386 AromaticContact CZ3-CD2 3.78Å; W269-Y386 HydrophobicContact CZ3-CD2 3.78Å; W269-Y386 HydrophobicContact CZ3-CG 4.49Å; Y383-Y386 HydrophobicContact CD1-CD2 4.23Å; Y383-Y386 AromaticContact CD1-CE2 3.78Å; Y383-Y386 HydrophobicContact CD1-CE2 3.78Å; Y383-Y386 HydrophobicContact CG-CE2 4.48Å; Y383-Y386 WeakPolarHBondContact O-CD2 3.42Å; Y383-Y386 PolarHBondContact O-N 3.46Å; K384-Y386 PolarHBondContact O-N 2.77Å; Y386-R390 PolarHBondContact O-NH1 3.16Å; Y386-V429 HydrophobicContact CE2-CG1 3.75Å; Y386-P430 HydrophobicContact CD1-CB 3.73Å; Y386-P430 HydrophobicContact CD1-CG 3.82Å; Y386-P430 HydrophobicContact CE1-CB 3.65Å; Y386-P430 HydrophobicContact CE1-CG 4.16Å; Y386-P430 HydrophobicContact CG-CB 4.44Å; Y386-P430 HydrophobicContact CG-CG 4.07Å; Y386-G431 WeakPolarHBondContact OH-CA 3.43Å; Y386-G431 PolarHBondContact OH-N 2.81Å
387	Y	93.3	Very high	92.9	Very high	10 Å²	10	59 Å²	59	4%	0.039	29%	0.291	C	S	.	.	H	α-helix	trans	-70.2	-39.4	171.1	178.2	-118.5	0	0	0	111.1	W269 S270 L271 S372 V373 A376 K384 K385 E389 R390 L391	W269-Y387 WeakPolarHBondContact O-CA 3.49Å; W269-Y387 WeakPolarHBondContact O-CD2 3.27Å; S270-Y387 WeakPolarHBondContact O-CE2 3.38Å; L271-Y387 HydrophobicContact CB-CD2 4.36Å; L271-Y387 HydrophobicContact CB-CE2 4.33Å; L271-Y387 HydrophobicContact CD1-CD1 3.74Å; L271-Y387 HydrophobicContact CD1-CD2 3.79Å; L271-Y387 HydrophobicContact CD1-CE1 3.96Å; L271-Y387 HydrophobicContact CD1-CE2 4.03Å; L271-Y387 HydrophobicContact CD1-CG 3.65Å; L271-Y387 HydrophobicContact CG-CD2 3.74Å; L271-Y387 HydrophobicContact CG-CE2 4.14Å; L271-Y387 HydrophobicContact CG-CG 3.99Å; S372-Y387 WeakPolarHBondContact CB-OH 3.37Å; V373-Y387 HydrophobicContact CG2-CE1 3.8Å; A376-Y387 HydrophobicContact CB-CD1 3.95Å; K384-Y387 PolarHBondContact O-N 3.45Å; K384-Y387 VanDerWaalsContact O-N 3.11Å; K385-Y387 VanDerWaalsContact C-N 3.33Å; K385-Y387 PolarHBondContact O-N 3.2Å; Y387-E389 PolarHBondContact O-N 3.17Å; Y387-R390 WeakPolarHBondContact O-CB 3.1Å; Y387-R390 PolarHBondContact O-N 2.76Å; Y387-L391 HydrophobicContact CD1-CD1 4.25Å; Y387-L391 HydrophobicContact CE1-CD1 3.61Å; Y387-L391 HydrophobicContact CE1-CG 4.3Å; Y387-L391 HydrophobicContact CE2-CD1 4.45Å; Y387-L391 HydrophobicContact CE2-CD2 4.29Å; Y387-L391 HydrophobicContact CE2-CG 4.35Å; Y387-L391 PolarHBondContact O-N 3.2Å
388	Y	93.4	Very high	92.7	Very high	16 Å²	16	60.7 Å²	60.7	6%	0.063	30%	0.297	C	S	.	.	H	α-helix	trans	-65	-37.9	179.9	-64.9	-5.7	0	0	0	113.2	A376 E377 K384 K385 R390 L391 N392 Y393 L395	A376-Y388 HydrophobicContact CB-CE1 4.19Å; E377-Y388 WeakPolarHBondContact CG-OH 3.48Å; E377-Y388 PolarHBondContact OE1-OH 3.48Å; K384-Y388 HydrophobicContact CB-CE1 4.36Å; K384-Y388 HydrophobicContact CB-CE2 4.38Å; K384-Y388 HydrophobicContact CD-CE2 3.94Å; K384-Y388 HydrophobicContact CG-CD2 4.37Å; K384-Y388 HydrophobicContact CG-CE2 3.8Å; K384-Y388 WeakPolarHBondContact O-CD1 3.29Å; K384-Y388 PolarHBondContact O-N 3.43Å; K385-Y388 PolarHBondContact O-N 2.98Å; K385-Y388 VanDerWaalsContact O-N 3.12Å; Y388-R390 VanDerWaalsContact C-N 3.27Å; Y388-R390 PolarHBondContact O-N 2.98Å; Y388-L391 CarbonylContact O-C 3.55Å; Y388-L391 WeakPolarHBondContact O-CA 3.47Å; Y388-L391 WeakPolarHBondContact O-CB 3.48Å; Y388-L391 PolarHBondContact O-N 3.28Å; Y388-N392 PolarHBondContact O-N 2.62Å; Y388-N392 VanDerWaalsContact O-N 3.16Å; Y388-Y393 HydrophobicContact CD2-CD1 4.43Å; Y388-Y393 HydrophobicContact CD2-CE1 4.47Å; Y388-Y393 PolarHBondContact O-N 2.95Å; Y388-L395 HydrophobicContact CD1-CD1 4.48Å; Y388-L395 HydrophobicContact CD1-CD2 3.35Å; Y388-L395 HydrophobicContact CD2-CD1 4.27Å; Y388-L395 HydrophobicContact CD2-CD2 4.14Å; Y388-L395 HydrophobicContact CE1-CD1 4.14Å; Y388-L395 HydrophobicContact CE1-CD2 3.66Å; Y388-L395 HydrophobicContact CE2-CD1 3.9Å; Y388-L395 HydrophobicContact CE2-CD2 4.39Å; Y388-L395 HydrophobicContact CG-CD2 3.62Å
389	E	87.3	Confident	92.5	Very high	65 Å²	65	61.8 Å²	61.8	30%	0.304	31%	0.309	S	S	.	.	H	α-helix	trans	-55.8	-42.2	173.2	-75.1	168.3	-179	0	0	111.3	K385 Y387 L391 N392 Y393	K385-E389 VanDerWaalsContact O-CG 3.31Å; K385-E389 WeakPolarHBondContact O-CG 3.34Å; K385-E389 PolarHBondContact O-N 3.19Å; Y387-E389 PolarHBondContact O-N 3.17Å; E389-L391 PolarHBondContact O-N 3.1Å; E389-N392 PolarHBondContact O-N 3.2Å; E389-N392 PolarHBondContact O-OD1 3.35Å; E389-Y393 HydrophobicContact CG-CE2 3.82Å; E389-Y393 WeakPolarHBondContact CG-OH 3.36Å
390	R	84	Confident	92.5	Very high	72 Å²	72	66.9 Å²	66.9	27%	0.272	34%	0.336	S	S	.	.	H	α-helix	trans	-67.2	-21.3	176.2	-70.4	164.8	173.2	66.5	11.5	113.8	W269 S270 Y386 Y387 Y388 D488	W269-R390 VanDerWaalsContact C-CD 3.41Å; W269-R390 VanDerWaalsContact O-CD 3.23Å; W269-R390 WeakPolarHBondContact O-CD 3.28Å; S270-R390 WeakPolarHBondContact OG-CD 3.44Å; Y386-R390 PolarHBondContact O-NH1 3.16Å; Y387-R390 WeakPolarHBondContact O-CB 3.1Å; Y387-R390 PolarHBondContact O-N 2.76Å; Y388-R390 VanDerWaalsContact C-N 3.27Å; Y388-R390 PolarHBondContact O-N 2.98Å; R390-D488 IonicContact CZ-OD1 3.71Å; R390-D488 IonicContact CZ-OD2 3.36Å; R390-D488 IonicContact NE-OD2 2.79Å; R390-D488 IonicContact NH2-OD1 2.85Å; R390-D488 PolarHBondContact NH2-OD1 3.36Å; R390-D488 IonicContact NH2-OD2 3.89Å; R390-D488 PolarHBondContact NH2-OD2 2.94Å
391	L	86.4	Confident	92.5	Very high	15 Å²	15	67.2 Å²	67.2	8%	0.079	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	2.3	173.7	-57.8	-172.4	0	0	0	112.7	R369 V373 Y387 Y388 E389 Y393 K394 L395	R369-L391 HydrophobicContact CG-CD1 4Å; R369-L391 HydrophobicContact CG-CD2 4.33Å; V373-L391 HydrophobicContact CG2-CD1 3.81Å; Y387-L391 HydrophobicContact CD1-CD1 4.25Å; Y387-L391 HydrophobicContact CE1-CD1 3.61Å; Y387-L391 HydrophobicContact CE1-CG 4.3Å; Y387-L391 HydrophobicContact CE2-CD1 4.45Å; Y387-L391 HydrophobicContact CE2-CD2 4.29Å; Y387-L391 HydrophobicContact CE2-CG 4.35Å; Y387-L391 PolarHBondContact O-N 3.2Å; Y388-L391 CarbonylContact O-C 3.55Å; Y388-L391 WeakPolarHBondContact O-CA 3.47Å; Y388-L391 WeakPolarHBondContact O-CB 3.48Å; Y388-L391 PolarHBondContact O-N 3.28Å; E389-L391 PolarHBondContact O-N 3.1Å; L391-Y393 PolarHBondContact O-N 2.73Å; L391-K394 WeakPolarHBondContact O-CB 3.25Å; L391-K394 PolarHBondContact O-N 2.65Å; L391-L395 HydrophobicContact CD1-CD2 4.13Å
392	N	84.7	Confident	92.4	Very high	111 Å²	111	68.1 Å²	68.1	59%	0.594	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	36.8	-167.8	-64.7	-30.2	0	0	0	112	Y388 E389 K394	Y388-N392 PolarHBondContact O-N 2.62Å; Y388-N392 VanDerWaalsContact O-N 3.16Å; E389-N392 PolarHBondContact O-N 3.2Å; E389-N392 PolarHBondContact O-OD1 3.35Å; N392-K394 PolarHBondContact O-N 3.34Å
393	Y	88.6	Confident	92.5	Very high	136 Å²	136	65.4 Å²	65.4	53%	0.533	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	13.4	-175.4	-63.4	-95.4	0	0	0	115	Y388 E389 L391 L395	Y388-Y393 HydrophobicContact CD2-CD1 4.43Å; Y388-Y393 HydrophobicContact CD2-CE1 4.47Å; Y388-Y393 PolarHBondContact O-N 2.95Å; E389-Y393 HydrophobicContact CG-CE2 3.82Å; E389-Y393 WeakPolarHBondContact CG-OH 3.36Å; L391-Y393 PolarHBondContact O-N 2.73Å; Y393-L395 VanDerWaalsContact C-N 3.33Å; Y393-L395 PolarHBondContact O-N 3.06Å; Y393-L395 VanDerWaalsContact O-N 3.09Å
394	K	88.8	Confident	92.5	Very high	151 Å²	151	64 Å²	64	66%	0.657	34%	0.335	S	S	*	.			trans	-86.1	72.2	174.7	-61.9	-179.5	-177.5	178.5	0	110.5	R369 L391 N392	R369-K394 PolarHBondContact NH1-O 3.38Å; R369-K394 VanDerWaalsContact NH1-O 3.08Å; L391-K394 WeakPolarHBondContact O-CB 3.25Å; L391-K394 PolarHBondContact O-N 2.65Å; N392-K394 PolarHBondContact O-N 3.34Å
395	L	90.9	Very high	92.5	Very high	38 Å²	38	65 Å²	65	20%	0.199	34%	0.339	C	S	.	.			trans	-66.9	-37.4	-172.7	-51.9	-172.9	0	0	0	113.1	V373 Y388 L391 Y393	V373-L395 HydrophobicContact CG1-CB 4.26Å; V373-L395 HydrophobicContact CG2-CB 4.46Å; Y388-L395 HydrophobicContact CD1-CD1 4.48Å; Y388-L395 HydrophobicContact CD1-CD2 3.35Å; Y388-L395 HydrophobicContact CD2-CD1 4.27Å; Y388-L395 HydrophobicContact CD2-CD2 4.14Å; Y388-L395 HydrophobicContact CE1-CD1 4.14Å; Y388-L395 HydrophobicContact CE1-CD2 3.66Å; Y388-L395 HydrophobicContact CE2-CD1 3.9Å; Y388-L395 HydrophobicContact CE2-CD2 4.39Å; Y388-L395 HydrophobicContact CG-CD2 3.62Å; L391-L395 HydrophobicContact CD1-CD2 4.13Å; Y393-L395 VanDerWaalsContact C-N 3.33Å; Y393-L395 PolarHBondContact O-N 3.06Å; Y393-L395 VanDerWaalsContact O-N 3.09Å
396	G	90	Very high	92.7	Very high	59 Å²	59	62.8 Å²	62.8	61%	0.608	34%	0.338	S	S	*	.			trans	73.4	-177.6	-170.8	0	0	0	0	0	112.6	Y398	G396-Y398 PolarHBondContact O-N 3.24Å
397	D	92.8	Very high	93	Very high	139 Å²	139	62.2 Å²	62.2	74%	0.743	34%	0.336	S	S	*	.			trans	-77.6	115.1	174.2	177.6	19.3	0	0	0	110.8	R370 G399	R370-D397 WeakPolarHBondContact CG-O 3.37Å; D397-G399 PolarHBondContact OD1-N 3.08Å
398	Y	93.9	Very high	93.2	Very high	62 Å²	62	63.4 Å²	63.4	24%	0.243	34%	0.34	C	S	.	.			trans	-105.8	-1.5	176.6	61.1	-94.5	0	0	0	113.3	V373 R374 E377 G396 V401	V373-Y398 HydrophobicContact CB-CD1 4.46Å; V373-Y398 HydrophobicContact CB-CG 4.36Å; V373-Y398 HydrophobicContact CG1-CD1 3.36Å; V373-Y398 HydrophobicContact CG1-CD2 4.32Å; V373-Y398 HydrophobicContact CG1-CE1 3.97Å; V373-Y398 HydrophobicContact CG1-CG 3.55Å; R374-Y398 WeakPolarHBondContact CD-O 3.48Å; R374-Y398 HydrophobicContact CG-CD2 4.3Å; R374-Y398 WeakPolarHBondContact CG-O 3.44Å; R374-Y398 PolarHBondContact NH1-O 2.84Å; E377-Y398 HydrophobicContact CG-CE2 3.84Å; G396-Y398 PolarHBondContact O-N 3.24Å; Y398-V401 HydrophobicContact CD2-CG1 4.17Å; Y398-V401 HydrophobicContact CE2-CG1 4.35Å; Y398-V401 HydrophobicContact CE2-CG2 4.38Å
399	G	95	Very high	93.4	Very high	27 Å²	27	69.8 Å²	69.8	28%	0.278	37%	0.371	S	S	.	.			trans	67.9	179	-178.2	0	0	0	0	0	114.6	R374 D397	R374-G399 PolarHBondContact NH1-O 3.36Å; D397-G399 PolarHBondContact OD1-N 3.08Å
400	D	97.1	Very high	94	Very high	107 Å²	107	75.5 Å²	75.5	57%	0.572	39%	0.389	S	S	*	.			trans	-68.4	135.9	-178.6	179	38.2	0	0	0	112.9	R374 S402	R374-D400 PolarHBondContact NH1-O 3.03Å; R374-D400 PolarHBondContact NH2-O 3.45Å; D400-S402 WeakPolarHBondContact OD1-CB 3.47Å; D400-S402 PolarHBondContact OD1-N 3.37Å; D400-S402 PolarHBondContact OD1-OG 3.1Å
401	V	97.9	Very high	94.6	Very high	7 Å²	7	73.6 Å²	73.6	4%	0.042	38%	0.384	C	S	.	.			trans	-121.3	7.1	177.5	-64.1	0	0	0	0	112.5	R374 E377 V378 Y398 S403 R404 K405	R374-V401 HydrophobicContact CB-CG1 4.07Å; R374-V401 HydrophobicContact CG-CG1 4.07Å; E377-V401 HydrophobicContact CB-CG2 4.21Å; V378-V401 HydrophobicContact CG2-CB 3.81Å; V378-V401 HydrophobicContact CG2-CG1 4.22Å; V378-V401 HydrophobicContact CG2-CG2 4.35Å; Y398-V401 HydrophobicContact CD2-CG1 4.17Å; Y398-V401 HydrophobicContact CE2-CG1 4.35Å; Y398-V401 HydrophobicContact CE2-CG2 4.38Å; V401-S403 VanDerWaalsContact C-N 3.32Å; V401-S403 PolarHBondContact O-N 3.5Å; V401-R404 WeakPolarHBondContact O-CB 3.31Å; V401-R404 PolarHBondContact O-N 3.36Å; V401-K405 HydrophobicContact CG2-CD 4.21Å; V401-K405 PolarHBondContact O-N 3.48Å
402	S	98.2	Very high	95.2	Very high	72 Å²	72	79.8 Å²	79.8	50%	0.503	42%	0.418	S	S	.	.	H	α-helix	trans	-57.8	-42.6	-175	-59.4	0	0	0	0	112.4	D400 R404 K405 A406	D400-S402 WeakPolarHBondContact OD1-CB 3.47Å; D400-S402 PolarHBondContact OD1-N 3.37Å; D400-S402 PolarHBondContact OD1-OG 3.1Å; S402-R404 VanDerWaalsContact C-N 3.28Å; S402-R404 PolarHBondContact O-N 2.78Å; S402-K405 PolarHBondContact O-N 2.91Å; S402-A406 WeakPolarHBondContact O-CB 3.23Å; S402-A406 PolarHBondContact O-N 3.28Å
403	S	97.5	Very high	95.8	Very high	74 Å²	74	75.4 Å²	75.4	52%	0.517	40%	0.395	S	S	.	.	H	α-helix	trans	-62.7	-33.2	176.4	63.4	0	0	0	0	113.2	V401 L407	V401-S403 VanDerWaalsContact C-N 3.32Å; V401-S403 PolarHBondContact O-N 3.5Å; S403-L407 WeakPolarHBondContact O-CB 3.29Å; S403-L407 PolarHBondContact O-N 3.3Å
404	R	98.1	Very high	96.3	Very high	18 Å²	18	71.2 Å²	71.2	7%	0.068	38%	0.384	C	S	.	.	H	α-helix	trans	-75.3	-39.7	177.7	-53.1	-47.6	-55.6	-176.6	6.4	111.3	G314 V378 V401 S402 L407 R408	G314-R404 PolarHBondContact O-NH1 3.49Å; G314-R404 PolarHBondContact O-NH2 3.12Å; V378-R404 HydrophobicContact CG1-CB 3.97Å; V378-R404 HydrophobicContact CG2-CB 3.7Å; V401-R404 WeakPolarHBondContact O-CB 3.31Å; V401-R404 PolarHBondContact O-N 3.36Å; S402-R404 VanDerWaalsContact C-N 3.28Å; S402-R404 PolarHBondContact O-N 2.78Å; R404-L407 WeakPolarHBondContact O-CB 3.45Å; R404-L407 PolarHBondContact O-N 2.99Å; R404-R408 PolarHBondContact O-N 2.74Å; R404-R408 VanDerWaalsContact O-N 3.08Å
405	K	98.3	Very high	96.8	Very high	77 Å²	77	66.4 Å²	66.4	34%	0.335	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-44.4	171.8	-69	-178.8	175.3	177	0	111.3	E377 V378 V401 S402 L407 R408 Q409	E377-K405 WeakPolarHBondContact O-CE 3.48Å; E377-K405 IonicContact OE2-NZ 3.74Å; E377-K405 PolarHBondContact OE2-NZ 2.8Å; V378-K405 HydrophobicContact CG2-CG 4.3Å; V401-K405 HydrophobicContact CG2-CD 4.21Å; V401-K405 PolarHBondContact O-N 3.48Å; S402-K405 PolarHBondContact O-N 2.91Å; K405-L407 VanDerWaalsContact C-N 3.35Å; K405-L407 PolarHBondContact O-N 3.26Å; K405-R408 PolarHBondContact O-N 3.43Å; K405-Q409 WeakPolarHBondContact O-CG 3.48Å; K405-Q409 PolarHBondContact O-N 2.88Å
406	A	98.4	Very high	97.1	Very high	45 Å²	45	64.6 Å²	64.6	37%	0.372	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-36.3	176.4	0	0	0	0	0	113	S402 R410	S402-A406 WeakPolarHBondContact O-CB 3.23Å; S402-A406 PolarHBondContact O-N 3.28Å; A406-R410 WeakPolarHBondContact O-CB 3.44Å; A406-R410 PolarHBondContact O-N 2.78Å
407	L	98.2	Very high	97.5	Very high	6 Å²	6	66.6 Å²	66.6	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-61.5	-49.1	171.8	175.2	70.7	0	0	0	111.5	L313 S403 R404 K405 Q409 R410 L411	L313-L407 WeakPolarHBondContact O-CD2 3.47Å; S403-L407 WeakPolarHBondContact O-CB 3.29Å; S403-L407 PolarHBondContact O-N 3.3Å; R404-L407 WeakPolarHBondContact O-CB 3.45Å; R404-L407 PolarHBondContact O-N 2.99Å; K405-L407 VanDerWaalsContact C-N 3.35Å; K405-L407 PolarHBondContact O-N 3.26Å; L407-Q409 VanDerWaalsContact C-N 3.27Å; L407-Q409 PolarHBondContact O-N 2.89Å; L407-R410 PolarHBondContact O-N 2.78Å; L407-L411 HydrophobicContact CD1-CD1 3.86Å; L407-L411 HydrophobicContact CD1-CG 4.07Å; L407-L411 HydrophobicContact CG-CD1 4.06Å; L407-L411 HydrophobicContact CG-CG 4.5Å; L407-L411 WeakPolarHBondContact O-CG 3.41Å; L407-L411 PolarHBondContact O-N 2.91Å
408	R	98.2	Very high	97.8	Very high	34 Å²	34	64.2 Å²	64.2	13%	0.128	33%	0.333	C	S	.	.	H	α-helix	trans	-56.8	-42	178.5	-175.8	179.7	173.2	-162.6	-5.9	111.8	V378 W379 D381 R404 K405 N412 C413 T414	V378-R408 WeakPolarHBondContact O-CD 3.19Å; V378-R408 PolarHBondContact O-NH1 2.89Å; W379-R408 HydrophobicContact CE3-CG 4.43Å; W379-R408 HydrophobicContact CH2-CB 4.12Å; W379-R408 HydrophobicContact CH2-CG 4.02Å; W379-R408 HydrophobicContact CZ3-CB 4.38Å; W379-R408 HydrophobicContact CZ3-CG 3.79Å; D381-R408 IonicContact OD1-CZ 3.36Å; D381-R408 VanDerWaalsContact OD1-CZ 3.23Å; D381-R408 IonicContact OD1-NH1 2.77Å; D381-R408 PolarHBondContact OD1-NH1 2.77Å; D381-R408 IonicContact OD1-NH2 2.67Å; D381-R408 PolarHBondContact OD1-NH2 3.13Å; D381-R408 IonicContact OD2-CZ 3.36Å; D381-R408 IonicContact OD2-NH2 3.52Å; D381-R408 PolarHBondContact OD2-NH2 3.42Å; R404-R408 PolarHBondContact O-N 2.74Å; R404-R408 VanDerWaalsContact O-N 3.08Å; K405-R408 PolarHBondContact O-N 3.43Å; R408-N412 PolarHBondContact O-N 2.91Å; R408-C413 HydrophobicContact CG-CB 3.85Å; R408-C413 PolarHBondContact O-N 3.09Å; R408-C413 PolarHBondContact O-SG 3.19Å; R408-T414 PolarHBondContact NH2-O 3.46Å; R408-T414 VanDerWaalsContact NH2-O 3.16Å
409	Q	98	Very high	98	Very high	151 Å²	151	61.2 Å²	61.2	71%	0.706	32%	0.321	S	S	*	.	H	α-helix	trans	-64.3	-48.6	175.6	-71.3	173	-12	0	0	112.2	K405 L407 L411 N412	K405-Q409 WeakPolarHBondContact O-CG 3.48Å; K405-Q409 PolarHBondContact O-N 2.88Å; L407-Q409 VanDerWaalsContact C-N 3.27Å; L407-Q409 PolarHBondContact O-N 2.89Å; Q409-L411 VanDerWaalsContact C-N 3.28Å; Q409-L411 PolarHBondContact O-N 2.76Å; Q409-N412 PolarHBondContact O-N 2.64Å
410	R	98.1	Very high	98.2	Very high	184 Å²	184	60.3 Å²	60.3	69%	0.694	31%	0.31	S	S	*	.	H	α-helix	trans	-62.2	-33.1	-179.4	171.9	168.8	38.2	117	-0.4	113.4	A406 L407 N412	A406-R410 WeakPolarHBondContact O-CB 3.44Å; A406-R410 PolarHBondContact O-N 2.78Å; L407-R410 PolarHBondContact O-N 2.78Å; R410-N412 VanDerWaalsContact C-N 3.27Å
411	L	98.2	Very high	98.1	Very high	32 Å²	32	59.4 Å²	59.4	17%	0.168	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.6	176.1	-66.3	-178.2	0	0	0	113.3	H312 L313 C337 L407 Q409 C413	H312-L411 VanDerWaalsContact CE1-CD2 3.44Å; H312-L411 WeakPolarHBondContact CE1-CD2 3.43Å; H312-L411 WeakPolarHBondContact NE2-CD2 3.39Å; L313-L411 HydrophobicContact CD2-CD1 4.44Å; C337-L411 HydrophobicContact CB-CD1 4.46Å; L407-L411 HydrophobicContact CD1-CD1 3.86Å; L407-L411 HydrophobicContact CD1-CG 4.07Å; L407-L411 HydrophobicContact CG-CD1 4.06Å; L407-L411 HydrophobicContact CG-CG 4.5Å; L407-L411 WeakPolarHBondContact O-CG 3.41Å; L407-L411 PolarHBondContact O-N 2.91Å; Q409-L411 VanDerWaalsContact C-N 3.28Å; Q409-L411 PolarHBondContact O-N 2.76Å; L411-C413 WeakPolarHBondContact CB-SG 3.4Å; L411-C413 PolarHBondContact O-N 2.96Å
412	N	97.9	Very high	98.1	Very high	146 Å²	146	63 Å²	63	78%	0.781	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	43.1	-176.7	-164.9	38.4	0	0	0	112.7	R408 Q409 R410	R408-N412 PolarHBondContact O-N 2.91Å; Q409-N412 PolarHBondContact O-N 2.64Å; R410-N412 VanDerWaalsContact C-N 3.27Å
413	C	98.5	Very high	98	Very high	18 Å²	18	60 Å²	60	12%	0.122	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-69	145.9	-177.9	-47.8	0	0	0	0	110.8	M336 C337 W379 R408 L411	M336-C413 HydrophobicContact CB-CB 4.27Å; M336-C413 CarbonylContact O-C 3.53Å; M336-C413 WeakPolarHBondContact O-CA 3.46Å; M336-C413 VanDerWaalsContact O-CB 3.32Å; M336-C413 WeakPolarHBondContact O-CB 3.14Å; C337-C413 HydrophobicContact CB-CB 4.05Å; C337-C413 WeakPolarHBondContact CB-SG 3.35Å; C337-C413 WeakPolarHBondContact SG-CB 3.44Å; C337-C413 CovalentContact SG-SG 2.04Å; C337-C413 PolarHBondContact SG-SG 2.87Å; W379-C413 HydrophobicContact CZ3-CB 4.34Å; R408-C413 HydrophobicContact CG-CB 3.85Å; R408-C413 PolarHBondContact O-N 3.09Å; R408-C413 PolarHBondContact O-SG 3.19Å; L411-C413 WeakPolarHBondContact CB-SG 3.4Å; L411-C413 PolarHBondContact O-N 2.96Å
414	T	98.5	Very high	98	Very high	48 Å²	48	57 Å²	57	29%	0.294	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-66.9	171.3	178	58.4	0	0	0	0	112.4	M336 R408 W418	M336-T414 WeakPolarHBondContact CA-OG1 3.48Å; M336-T414 WeakPolarHBondContact CE-O 3.45Å; M336-T414 PolarHBondContact O-N 3.22Å; M336-T414 PolarHBondContact O-OG1 2.99Å; R408-T414 PolarHBondContact NH2-O 3.46Å; R408-T414 VanDerWaalsContact NH2-O 3.16Å; T414-W418 HydrophobicContact CG2-CD2 3.96Å; T414-W418 HydrophobicContact CG2-CE3 4.28Å; T414-W418 HydrophobicContact CG2-CG 4.13Å
415	S	98.5	Very high	97.8	Very high	51 Å²	51	59.1 Å²	59.1	36%	0.357	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-77.2	160	178.2	65.6	0	0	0	0	112.2	D381 K417 W418 Y419	D381-S415 WeakPolarHBondContact OD2-CA 3.3Å; S415-K417 PolarHBondContact O-N 3.13Å; S415-W418 WeakPolarHBondContact O-CB 3.48Å; S415-W418 PolarHBondContact O-N 3.45Å; S415-W418 VanDerWaalsContact O-N 3.1Å; S415-W418 PolarHBondContact OG-N 3.11Å; S415-Y419 PolarHBondContact O-N 2.97Å; S415-Y419 VanDerWaalsContact O-N 3.16Å
416	F	98.6	Very high	97.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-29.9	172	-163.6	-110.3	0	0	0	111.8	F267 W269 F332 M336 W379 L380 D381 Y383 W418 Y419 L420	F267-F416 HydrophobicContact CE2-CZ 4.5Å; F267-F416 AromaticContact CZ-CZ 3.81Å; F267-F416 HydrophobicContact CZ-CZ 3.81Å; W269-F416 HydrophobicContact CH2-CE1 4.04Å; W269-F416 HydrophobicContact CZ3-CE1 4.2Å; F332-F416 HydrophobicContact CD1-CE2 4.34Å; F332-F416 HydrophobicContact CE1-CE2 4.11Å; F332-F416 HydrophobicContact CE2-CE2 4.28Å; F332-F416 HydrophobicContact CZ-CE2 4.08Å; F332-F416 HydrophobicContact CZ-CZ 4.46Å; M336-F416 HydrophobicContact CE-CB 4.38Å; M336-F416 HydrophobicContact SD-CD2 4.12Å; W379-F416 WeakPolarHBondContact O-CB 3.4Å; W379-F416 VanDerWaalsContact O-CD2 3.25Å; W379-F416 WeakPolarHBondContact O-CD2 3.2Å; L380-F416 HydrophobicContact CD2-CD1 4.18Å; L380-F416 HydrophobicContact CD2-CD2 3.81Å; L380-F416 HydrophobicContact CD2-CE1 3.73Å; L380-F416 HydrophobicContact CD2-CE2 3.33Å; L380-F416 HydrophobicContact CD2-CG 4.21Å; L380-F416 HydrophobicContact CD2-CZ 3.27Å; D381-F416 HydrophobicContact CB-CB 4.26Å; D381-F416 PolarHBondContact OD2-N 3.47Å; Y383-F416 HydrophobicContact CD2-CB 4.36Å; Y383-F416 AromaticContact CD2-CD1 3.69Å; Y383-F416 HydrophobicContact CD2-CD1 3.69Å; Y383-F416 HydrophobicContact CE2-CD1 4.41Å; Y383-F416 AromaticContact CG-CD1 3.76Å; Y383-F416 HydrophobicContact CG-CD1 3.76Å; Y383-F416 HydrophobicContact CG-CE1 4.25Å; F416-W418 VanDerWaalsContact C-N 3.34Å; F416-W418 PolarHBondContact O-N 2.99Å; F416-Y419 HydrophobicContact CD2-CD1 4.14Å; F416-Y419 HydrophobicContact CD2-CG 4.43Å; F416-Y419 AromaticContact CE2-CD1 3.64Å; F416-Y419 HydrophobicContact CE2-CD1 3.64Å; F416-Y419 HydrophobicContact CE2-CE1 4.09Å; F416-Y419 HydrophobicContact CE2-CG 4.29Å; F416-Y419 HydrophobicContact CZ-CD1 4.06Å; F416-Y419 HydrophobicContact CZ-CE1 4.35Å; F416-Y419 WeakPolarHBondContact O-CB 3.19Å; F416-Y419 PolarHBondContact O-N 2.85Å; F416-L420 HydrophobicContact CD1-CD1 3.95Å; F416-L420 HydrophobicContact CD1-CG 4.09Å; F416-L420 HydrophobicContact CE1-CD1 3.86Å; F416-L420 HydrophobicContact CE1-CD2 3.91Å; F416-L420 HydrophobicContact CE1-CG 3.88Å; F416-L420 HydrophobicContact CZ-CD2 4.19Å; F416-L420 HydrophobicContact CZ-CG 4.47Å; F416-L420 WeakPolarHBondContact O-CG 3.48Å; F416-L420 PolarHBondContact O-N 2.81Å
417	K	98.1	Very high	97.2	Very high	100 Å²	100	57.9 Å²	57.9	44%	0.435	28%	0.284	S	S	.	.	H	α-helix	trans	-58.4	-46.6	170.4	-171.7	-172.7	-170.4	-39.3	0	111.2	Y383 S415 Y419 L420 D421	Y383-K417 HydrophobicContact CE2-CB 4.1Å; S415-K417 PolarHBondContact O-N 3.13Å; K417-Y419 VanDerWaalsContact C-N 3.27Å; K417-Y419 PolarHBondContact O-N 2.84Å; K417-L420 PolarHBondContact O-N 3.36Å; K417-D421 IonicContact NZ-OD1 3.79Å; K417-D421 PolarHBondContact NZ-OD1 2.99Å; K417-D421 IonicContact NZ-OD2 2.64Å; K417-D421 PolarHBondContact NZ-OD2 3.16Å; K417-D421 VanDerWaalsContact O-CG 3.24Å; K417-D421 PolarHBondContact O-N 2.76Å
418	W	98.4	Very high	96.8	Very high	89 Å²	89	59 Å²	59	34%	0.337	29%	0.289	S	S	.	.	H	α-helix	trans	-59.3	-40.8	176.1	176.2	94.5	0	0	0	111.3	W335 T414 S415 F416 D421 N422 V423	W335-W418 WeakPolarHBondContact O-CZ3 3.34Å; T414-W418 HydrophobicContact CG2-CD2 3.96Å; T414-W418 HydrophobicContact CG2-CE3 4.28Å; T414-W418 HydrophobicContact CG2-CG 4.13Å; S415-W418 WeakPolarHBondContact O-CB 3.48Å; S415-W418 PolarHBondContact O-N 3.45Å; S415-W418 VanDerWaalsContact O-N 3.1Å; S415-W418 PolarHBondContact OG-N 3.11Å; F416-W418 VanDerWaalsContact C-N 3.34Å; F416-W418 PolarHBondContact O-N 2.99Å; W418-D421 PolarHBondContact O-N 2.78Å; W418-N422 HydrophobicContact CD2-CB 4.42Å; W418-N422 HydrophobicContact CZ2-CB 4.23Å; W418-N422 PolarHBondContact NE1-ND2 3.06Å; W418-N422 WeakPolarHBondContact O-CB 3.28Å; W418-N422 PolarHBondContact O-N 3Å; W418-N422 PolarHBondContact O-ND2 3.41Å; W418-V423 HydrophobicContact CH2-CG2 4.31Å; W418-V423 HydrophobicContact CZ3-CG2 4.01Å
419	Y	98.7	Very high	96.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-46.3	175.5	172.9	-88.1	0	0	0	111.7	F267 P296 F332 W335 M336 S415 F416 K417 V423 Y424	F267-Y419 HydrophobicContact CE1-CE1 4.09Å; P296-Y419 WeakPolarHBondContact CB-OH 3.45Å; P296-Y419 PolarHBondContact O-OH 3.31Å; F332-Y419 HydrophobicContact CD1-CE1 4.31Å; F332-Y419 HydrophobicContact CD1-CE2 4Å; F332-Y419 AromaticContact CD1-CZ 3.87Å; F332-Y419 HydrophobicContact CE1-CE1 4.03Å; F332-Y419 HydrophobicContact CE1-CE2 4.41Å; F332-Y419 AromaticContact CE1-CZ 3.81Å; W335-Y419 HydrophobicContact CB-CD2 3.75Å; W335-Y419 HydrophobicContact CB-CE2 3.91Å; W335-Y419 AromaticContact CD1-CE2 3.75Å; W335-Y419 HydrophobicContact CG-CD2 4.25Å; W335-Y419 AromaticContact CG-CE2 3.98Å; W335-Y419 HydrophobicContact CG-CE2 3.98Å; M336-Y419 HydrophobicContact CG-CD2 4.29Å; M336-Y419 HydrophobicContact CG-CG 4.49Å; S415-Y419 PolarHBondContact O-N 2.97Å; S415-Y419 VanDerWaalsContact O-N 3.16Å; F416-Y419 HydrophobicContact CD2-CD1 4.14Å; F416-Y419 HydrophobicContact CD2-CG 4.43Å; F416-Y419 AromaticContact CE2-CD1 3.64Å; F416-Y419 HydrophobicContact CE2-CD1 3.64Å; F416-Y419 HydrophobicContact CE2-CE1 4.09Å; F416-Y419 HydrophobicContact CE2-CG 4.29Å; F416-Y419 HydrophobicContact CZ-CD1 4.06Å; F416-Y419 HydrophobicContact CZ-CE1 4.35Å; F416-Y419 WeakPolarHBondContact O-CB 3.19Å; F416-Y419 PolarHBondContact O-N 2.85Å; K417-Y419 VanDerWaalsContact C-N 3.27Å; K417-Y419 PolarHBondContact O-N 2.84Å; Y419-V423 HydrophobicContact CD2-CB 3.86Å; Y419-V423 HydrophobicContact CD2-CG1 4.13Å; Y419-V423 HydrophobicContact CD2-CG2 3.97Å; Y419-V423 HydrophobicContact CE2-CB 3.92Å; Y419-V423 HydrophobicContact CE2-CG1 3.68Å; Y419-V423 HydrophobicContact CE2-CG2 4.37Å; Y419-V423 HydrophobicContact CG-CB 4.36Å; Y419-V423 WeakPolarHBondContact O-CA 2.99Å; Y419-V423 VanDerWaalsContact O-CB 3.24Å; Y419-V423 WeakPolarHBondContact O-CB 3.46Å; Y419-V423 PolarHBondContact O-N 2.75Å; Y419-Y424 PolarHBondContact O-N 2.92Å; Y419-Y424 VanDerWaalsContact O-N 3.08Å
420	L	97.6	Very high	96.2	Very high	8 Å²	8	51 Å²	51	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-44.8	176.2	-65.1	175.9	0	0	0	111.9	W269 Y383 F416 K417 N422 Y424 P425 L427 V429	W269-L420 HydrophobicContact CH2-CD1 4.37Å; Y383-L420 HydrophobicContact CD1-CD1 3.65Å; Y383-L420 HydrophobicContact CD2-CD1 4.5Å; Y383-L420 HydrophobicContact CE1-CD1 3.36Å; Y383-L420 HydrophobicContact CE2-CD1 4.26Å; Y383-L420 HydrophobicContact CG-CD1 4.23Å; F416-L420 HydrophobicContact CD1-CD1 3.95Å; F416-L420 HydrophobicContact CD1-CG 4.09Å; F416-L420 HydrophobicContact CE1-CD1 3.86Å; F416-L420 HydrophobicContact CE1-CD2 3.91Å; F416-L420 HydrophobicContact CE1-CG 3.88Å; F416-L420 HydrophobicContact CZ-CD2 4.19Å; F416-L420 HydrophobicContact CZ-CG 4.47Å; F416-L420 WeakPolarHBondContact O-CG 3.48Å; F416-L420 PolarHBondContact O-N 2.81Å; K417-L420 PolarHBondContact O-N 3.36Å; L420-N422 PolarHBondContact O-N 2.94Å; L420-Y424 CarbonylContact O-C 3.55Å; L420-P425 WeakPolarHBondContact O-CA 3.44Å; L420-P425 WeakPolarHBondContact O-CD 3.46Å; L420-L427 HydrophobicContact CD2-CB 4.4Å; L420-L427 HydrophobicContact CD2-CD2 3.74Å; L420-V429 HydrophobicContact CD1-CG2 4.02Å
421	D	96.9	Very high	95.8	Very high	87 Å²	87	43.5 Å²	43.5	47%	0.465	23%	0.234	S	C	.	.	H	α-helix	trans	-68.4	-33.5	-176.9	-64.5	-17	0	0	0	112.9	K417 W418	K417-D421 IonicContact NZ-OD1 3.79Å; K417-D421 PolarHBondContact NZ-OD1 2.99Å; K417-D421 IonicContact NZ-OD2 2.64Å; K417-D421 PolarHBondContact NZ-OD2 3.16Å; K417-D421 VanDerWaalsContact O-CG 3.24Å; K417-D421 PolarHBondContact O-N 2.76Å; W418-D421 PolarHBondContact O-N 2.78Å
422	N	97.1	Very high	95.4	Very high	82 Å²	82	45.2 Å²	45.2	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-110.2	-33.2	-168.6	-63.9	-90.2	0	0	0	114	W418 L420	W418-N422 HydrophobicContact CD2-CB 4.42Å; W418-N422 HydrophobicContact CZ2-CB 4.23Å; W418-N422 PolarHBondContact NE1-ND2 3.06Å; W418-N422 WeakPolarHBondContact O-CB 3.28Å; W418-N422 PolarHBondContact O-N 3Å; W418-N422 PolarHBondContact O-ND2 3.41Å; L420-N422 PolarHBondContact O-N 2.94Å
423	V	97.1	Very high	95.2	Very high	11 Å²	11	38.2 Å²	38.2	7%	0.067	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-51.4	-173.8	-177.6	0	0	0	0	110.8	R281 P296 W335 W418 Y419 P425	R281-V423 PolarHBondContact NH2-O 2.68Å; P296-V423 HydrophobicContact CB-CG1 4.32Å; W335-V423 HydrophobicContact CB-CG2 4.09Å; W335-V423 HydrophobicContact CD2-CB 4.3Å; W335-V423 HydrophobicContact CD2-CG1 3.6Å; W335-V423 HydrophobicContact CD2-CG2 3.66Å; W335-V423 VanDerWaalsContact CE2-CG1 3.49Å; W335-V423 HydrophobicContact CE3-CG1 4.23Å; W335-V423 HydrophobicContact CE3-CG2 3.6Å; W335-V423 HydrophobicContact CG-CB 4.44Å; W335-V423 HydrophobicContact CG-CG1 3.78Å; W335-V423 HydrophobicContact CG-CG2 3.91Å; W335-V423 HydrophobicContact CZ2-CG1 4.03Å; W335-V423 HydrophobicContact CZ3-CG2 4.25Å; W418-V423 HydrophobicContact CH2-CG2 4.31Å; W418-V423 HydrophobicContact CZ3-CG2 4.01Å; Y419-V423 HydrophobicContact CD2-CB 3.86Å; Y419-V423 HydrophobicContact CD2-CG1 4.13Å; Y419-V423 HydrophobicContact CD2-CG2 3.97Å; Y419-V423 HydrophobicContact CE2-CB 3.92Å; Y419-V423 HydrophobicContact CE2-CG1 3.68Å; Y419-V423 HydrophobicContact CE2-CG2 4.37Å; Y419-V423 HydrophobicContact CG-CB 4.36Å; Y419-V423 WeakPolarHBondContact O-CA 2.99Å; Y419-V423 VanDerWaalsContact O-CB 3.24Å; Y419-V423 WeakPolarHBondContact O-CB 3.46Å; Y419-V423 PolarHBondContact O-N 2.75Å; V423-P425 WeakPolarHBondContact O-CD 3.44Å
424	Y	96.6	Very high	95	Very high	11 Å²	11	37.6 Å²	37.6	4%	0.043	20%	0.201	C	C	.	.			trans	-127.3	57.8	-175.6	-159.7	-163.5	0	0	0	114.4	F267 H276 P296 Y419 L420 E426 L427	F267-Y424 HydrophobicContact CD1-CD1 4.17Å; F267-Y424 HydrophobicContact CD1-CE1 4.07Å; F267-Y424 AromaticContact CE1-CD1 3.81Å; F267-Y424 HydrophobicContact CE1-CD1 3.81Å; F267-Y424 HydrophobicContact CE1-CE1 4.1Å; H276-Y424 PolarHBondContact CE1-OH 3.44Å; H276-Y424 VanDerWaalsContact CE1-OH 3.24Å; H276-Y424 PolarHBondContact NE2-OH 2.79Å; H276-Y424 VanDerWaalsContact NE2-OH 3.16Å; P296-Y424 HydrophobicContact CB-CD1 3.93Å; P296-Y424 HydrophobicContact CB-CD2 4.19Å; P296-Y424 HydrophobicContact CB-CG 3.74Å; P296-Y424 HydrophobicContact CG-CD1 4.3Å; P296-Y424 HydrophobicContact CG-CD2 3.65Å; P296-Y424 HydrophobicContact CG-CE2 4.21Å; P296-Y424 HydrophobicContact CG-CG 3.71Å; Y419-Y424 PolarHBondContact O-N 2.92Å; Y419-Y424 VanDerWaalsContact O-N 3.08Å; L420-Y424 CarbonylContact O-C 3.55Å; Y424-E426 HydrophobicContact CD2-CB 4.27Å; Y424-E426 HydrophobicContact CE2-CB 4.13Å; Y424-E426 PolarHBondContact O-N 2.92Å; Y424-L427 HydrophobicContact CD1-CB 3.66Å; Y424-L427 HydrophobicContact CD1-CD2 4.12Å; Y424-L427 HydrophobicContact CD1-CG 4.33Å; Y424-L427 HydrophobicContact CD2-CB 4.3Å; Y424-L427 HydrophobicContact CE1-CB 3.73Å; Y424-L427 HydrophobicContact CE1-CD1 3.96Å; Y424-L427 HydrophobicContact CE1-CD2 4.23Å; Y424-L427 HydrophobicContact CE1-CG 4.18Å; Y424-L427 HydrophobicContact CE2-CB 4.36Å; Y424-L427 HydrophobicContact CG-CB 3.96Å; Y424-L427 WeakPolarHBondContact O-CB 3.46Å; Y424-L427 PolarHBondContact O-N 2.82Å; Y424-L427 VanDerWaalsContact O-N 3.13Å
425	P	94.1	Very high	94.8	Very high	61 Å²	61	35.3 Å²	35.3	40%	0.396	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15	180	27.9	-35.6	0	0	0	113.2	L420 V423 L427	L420-P425 WeakPolarHBondContact O-CA 3.44Å; L420-P425 WeakPolarHBondContact O-CD 3.46Å; V423-P425 WeakPolarHBondContact O-CD 3.44Å; P425-L427 VanDerWaalsContact C-N 3.27Å
426	E	90.4	Very high	94.6	Very high	81 Å²	81	34.3 Å²	34.3	38%	0.379	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.3	175.5	-59.3	79.6	-168.3	0	0	113.1	P279 R281 Y424 F428	P279-E426 HydrophobicContact CB-CG 3.93Å; P279-E426 WeakPolarHBondContact CB-OE1 3.5Å; P279-E426 HydrophobicContact CG-CG 4.15Å; R281-E426 IonicContact CZ-OE1 2.78Å; R281-E426 IonicContact NE-OE1 3.24Å; R281-E426 PolarHBondContact NE-OE1 3.13Å; R281-E426 IonicContact NH2-OE1 3.5Å; R281-E426 PolarHBondContact NH2-OE1 3.04Å; R281-E426 IonicContact NH2-OE2 2.79Å; Y424-E426 HydrophobicContact CD2-CB 4.27Å; Y424-E426 HydrophobicContact CE2-CB 4.13Å; Y424-E426 PolarHBondContact O-N 2.92Å; E426-F428 PolarHBondContact O-N 3.36Å
427	L	92.6	Very high	94.2	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.084	18%	0.183	C	C	.	.	S	Bend	trans	-71.1	119.4	175.2	-177.4	62.2	0	0	0	110.6	F267 W269 L420 Y424 P425 V429	F267-L427 HydrophobicContact CE1-CD2 3.91Å; F267-L427 HydrophobicContact CE2-CD2 4.02Å; F267-L427 HydrophobicContact CZ-CD2 3.42Å; F267-L427 VanDerWaalsContact CZ-CD2 3.42Å; F267-L427 WeakPolarHBondContact O-CD1 3.38Å; W269-L427 HydrophobicContact CH2-CD2 4.36Å; W269-L427 HydrophobicContact CZ2-CD2 3.84Å; W269-L427 HydrophobicContact CZ2-CG 4.3Å; L420-L427 HydrophobicContact CD2-CB 4.4Å; L420-L427 HydrophobicContact CD2-CD2 3.74Å; Y424-L427 HydrophobicContact CD1-CB 3.66Å; Y424-L427 HydrophobicContact CD1-CD2 4.12Å; Y424-L427 HydrophobicContact CD1-CG 4.33Å; Y424-L427 HydrophobicContact CD2-CB 4.3Å; Y424-L427 HydrophobicContact CE1-CB 3.73Å; Y424-L427 HydrophobicContact CE1-CD1 3.96Å; Y424-L427 HydrophobicContact CE1-CD2 4.23Å; Y424-L427 HydrophobicContact CE1-CG 4.18Å; Y424-L427 HydrophobicContact CE2-CB 4.36Å; Y424-L427 HydrophobicContact CG-CB 3.96Å; Y424-L427 WeakPolarHBondContact O-CB 3.46Å; Y424-L427 PolarHBondContact O-N 2.82Å; Y424-L427 VanDerWaalsContact O-N 3.13Å; P425-L427 VanDerWaalsContact C-N 3.27Å; L427-V429 PolarHBondContact O-N 2.9Å
428	F	91.6	Very high	94	Very high	29 Å²	29	31.8 Å²	31.8	13%	0.127	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-67.6	119.6	174.4	176.3	-100.8	0	0	0	111.3	W269 E426 S433 M478 R486	W269-F428 PolarHBondContact NE1-O 2.81Å; E426-F428 PolarHBondContact O-N 3.36Å; F428-S433 VanDerWaalsContact CZ-OG 3.28Å; F428-S433 WeakPolarHBondContact CZ-OG 3.5Å; F428-M478 HydrophobicContact CE1-CB 4.18Å; F428-M478 HydrophobicContact CE1-CE 3.87Å; F428-M478 HydrophobicContact CE1-SD 3.65Å; F428-M478 HydrophobicContact CZ-CB 4.13Å; F428-M478 HydrophobicContact CZ-SD 4.36Å; F428-R486 VanDerWaalsContact CB-CZ 3.49Å; F428-R486 HydrophobicContact CE1-CG 4.25Å; F428-R486 VanDerWaalsContact CG-CZ 3.47Å; F428-R486 HydrophobicContact CZ-CG 4.24Å
429	V	93.2	Very high	94	Very high	15 Å²	15	27.6 Å²	27.6	9%	0.091	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-94.4	121.1	177.5	-175	0	0	0	0	109.7	W269 Y383 Y386 L420 L427 G431 D432	W269-V429 HydrophobicContact CZ2-CB 4.29Å; W269-V429 HydrophobicContact CZ2-CG1 4.15Å; W269-V429 HydrophobicContact CZ2-CG2 4.1Å; Y383-V429 HydrophobicContact CD1-CG1 4Å; Y383-V429 HydrophobicContact CE1-CG1 3.79Å; Y386-V429 HydrophobicContact CE2-CG1 3.75Å; L420-V429 HydrophobicContact CD1-CG2 4.02Å; L427-V429 PolarHBondContact O-N 2.9Å; V429-G431 PolarHBondContact O-N 3.13Å; V429-D432 WeakPolarHBondContact O-CB 3.37Å; V429-D432 PolarHBondContact O-N 3.44Å
430	P	90.4	Very high	93.9	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.013	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-56	-30.7	-177.6	-29.8	33.9	0	0	0	114.9	W269 Y386 D432 S433 M478	W269-P430 HydrophobicContact CG-CG 4.4Å; Y386-P430 HydrophobicContact CD1-CB 3.73Å; Y386-P430 HydrophobicContact CD1-CG 3.82Å; Y386-P430 HydrophobicContact CE1-CB 3.65Å; Y386-P430 HydrophobicContact CE1-CG 4.16Å; Y386-P430 HydrophobicContact CG-CB 4.44Å; Y386-P430 HydrophobicContact CG-CG 4.07Å; P430-D432 PolarHBondContact O-N 2.88Å; P430-S433 VanDerWaalsContact O-CB 3.29Å; P430-S433 WeakPolarHBondContact O-CB 3.19Å; P430-S433 PolarHBondContact O-N 2.74Å; P430-S433 VanDerWaalsContact O-N 3.14Å; P430-S433 PolarHBondContact O-OG 3.37Å; P430-M478 HydrophobicContact CB-SD 3.63Å; P430-M478 HydrophobicContact CG-SD 4.03Å
431	G	88.8	Confident	93.9	Very high	26 Å²	26	31.2 Å²	31.2	27%	0.268	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-64.7	-22.4	176.2	0	0	0	0	0	114.7	Y386 V429 S433 N560	Y386-G431 WeakPolarHBondContact OH-CA 3.43Å; Y386-G431 PolarHBondContact OH-N 2.81Å; V429-G431 PolarHBondContact O-N 3.13Å; G431-S433 PolarHBondContact O-N 3.35Å; G431-N560 PolarHBondContact O-ND2 3.28Å
432	D	89.9	Confident	93.9	Very high	68 Å²	68	28.7 Å²	28.7	36%	0.364	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-83.9	2.4	176.5	-76.5	-51.7	0	0	0	113	V429 P430 K481	V429-D432 WeakPolarHBondContact O-CB 3.37Å; V429-D432 PolarHBondContact O-N 3.44Å; P430-D432 PolarHBondContact O-N 2.88Å; D432-K481 VanDerWaalsContact CG-NZ 3.34Å; D432-K481 WeakPolarHBondContact O-CE 3.2Å; D432-K481 WeakPolarHBondContact O-CG 3.12Å; D432-K481 IonicContact OD1-NZ 2.71Å; D432-K481 PolarHBondContact OD1-NZ 3.15Å
433	S	92.6	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.			trans	-69.3	138.8	176.4	-47.3	0	0	0	0	111.1	F428 P430 G431 A435 L479 N560	F428-S433 VanDerWaalsContact CZ-OG 3.28Å; F428-S433 WeakPolarHBondContact CZ-OG 3.5Å; P430-S433 VanDerWaalsContact O-CB 3.29Å; P430-S433 WeakPolarHBondContact O-CB 3.19Å; P430-S433 PolarHBondContact O-N 2.74Å; P430-S433 VanDerWaalsContact O-N 3.14Å; P430-S433 PolarHBondContact O-OG 3.37Å; G431-S433 PolarHBondContact O-N 3.35Å; S433-A435 VanDerWaalsContact C-N 3.32Å; S433-A435 WeakPolarHBondContact CB-O 3.31Å; S433-L479 CarbonylContact C-O 3.48Å; S433-L479 WeakPolarHBondContact CA-O 3.26Å; S433-N560 VanDerWaalsContact O-CB 3.27Å; S433-N560 WeakPolarHBondContact O-CB 3.33Å
434	V	95.5	Very high	93.5	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.03	15%	0.148	C	C	.	.	S	Bend	trans	-65.9	-39.9	172.5	-173.7	0	0	0	0	110.2	L479 K481 F517 N560 V563 L564 V567	V434-L479 HydrophobicContact CB-CD2 4.19Å; V434-L479 HydrophobicContact CB-CG 4.28Å; V434-L479 HydrophobicContact CG1-CD2 4.41Å; V434-L479 PolarHBondContact N-O 2.98Å; V434-K481 HydrophobicContact CG2-CG 4.49Å; V434-F517 HydrophobicContact CG1-CE1 4.39Å; V434-F517 HydrophobicContact CG1-CE2 4.15Å; V434-F517 HydrophobicContact CG1-CZ 3.51Å; V434-N560 PolarHBondContact O-N 3.46Å; V434-V563 HydrophobicContact CB-CG1 4.48Å; V434-V563 HydrophobicContact CG2-CG1 3.98Å; V434-L564 HydrophobicContact CG1-CB 3.92Å; V434-L564 HydrophobicContact CG1-CD1 3.67Å; V434-L564 HydrophobicContact CG1-CG 4.34Å; V434-V567 HydrophobicContact CG2-CG2 4.04Å
435	A	95	Very high	93.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	151.7	175.5	0	0	0	0	0	109.9	S433 M478 L479 F517 F556 K558 V559	S433-A435 VanDerWaalsContact C-N 3.32Å; S433-A435 WeakPolarHBondContact CB-O 3.31Å; A435-M478 WeakPolarHBondContact O-CA 3.18Å; A435-L479 HydrophobicContact CB-CB 4.21Å; A435-L479 PolarHBondContact O-N 3.24Å; A435-F517 HydrophobicContact CB-CE1 4.36Å; A435-F556 HydrophobicContact CB-CB 3.82Å; A435-F556 HydrophobicContact CB-CD1 3.66Å; A435-F556 HydrophobicContact CB-CD2 3.92Å; A435-F556 HydrophobicContact CB-CE1 4.16Å; A435-F556 HydrophobicContact CB-CE2 4.39Å; A435-F556 HydrophobicContact CB-CG 3.52Å; A435-K558 CarbonylContact C-O 3.57Å; A435-K558 VanDerWaalsContact CA-O 3.26Å; A435-K558 WeakPolarHBondContact CA-O 3.27Å; A435-V559 HydrophobicContact CB-CG2 4.29Å
436	L	93.2	Very high	93.1	Very high	30 Å²	30	37.1 Å²	37.1	16%	0.157	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	163.8	-178	63.6	81.8	0	0	0	112.8	Y476 W477 M478 K558	L436-Y476 HydrophobicContact CD1-CE2 4.49Å; L436-W477 CarbonylContact C-O 3.42Å; L436-W477 VanDerWaalsContact CA-O 3.25Å; L436-W477 WeakPolarHBondContact CA-O 3.47Å; L436-M478 HydrophobicContact CB-CG 3.92Å; L436-K558 HydrophobicContact CD1-CB 3.97Å; L436-K558 HydrophobicContact CD1-CD 4.04Å; L436-K558 HydrophobicContact CG-CB 4.37Å; L436-K558 PolarHBondContact N-O 3.03Å; L436-K558 PolarHBondContact O-N 3.36Å
437	G	91.3	Very high	93.3	Very high	11 Å²	11	38 Å²	38	11%	0.113	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.7	-153.6	176.7	0	0	0	0	0	112.4	W477	G437-W477 PolarHBondContact N-O 2.76Å; G437-W477 PolarHBondContact O-N 2.85Å
438	E	93.5	Very high	93.5	Very high	36 Å²	36	39.6 Å²	39.6	17%	0.168	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	145.8	173	-55.2	-171.8	156.6	0	0	111	R440 G470 Q475 F556 G557	E438-R440 IonicContact OE2-NH2 3.23Å; E438-R440 PolarHBondContact OE2-NH2 3.22Å; E438-G470 WeakPolarHBondContact OE1-CA 3.49Å; E438-G470 PolarHBondContact OE1-N 3.08Å; E438-Q475 WeakPolarHBondContact CA-O 3.44Å; E438-F556 CarbonylContact O-C 3.53Å; E438-F556 WeakPolarHBondContact O-CA 3.37Å; E438-G557 PolarHBondContact O-N 3.16Å
439	V	97	Very high	93.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	96.7	172.9	-177.4	0	0	0	0	107.8	C449 L450 W477 M522 W554 V555 F556	V439-C449 CarbonylContact O-C 3.59Å; V439-C449 VanDerWaalsContact O-CA 3.31Å; V439-C449 WeakPolarHBondContact O-CA 3.24Å; V439-L450 HydrophobicContact CB-CB 4.17Å; V439-L450 HydrophobicContact CB-CD1 3.8Å; V439-L450 HydrophobicContact CB-CG 4Å; V439-L450 HydrophobicContact CG1-CD1 3.63Å; V439-L450 HydrophobicContact CG1-CG 3.99Å; V439-L450 HydrophobicContact CG2-CD1 4.36Å; V439-L450 PolarHBondContact O-N 2.87Å; V439-W477 HydrophobicContact CG2-CB 3.76Å; V439-W477 HydrophobicContact CG2-CG 4.2Å; V439-M522 HydrophobicContact CG1-CE 4.1Å; V439-W554 HydrophobicContact CG1-CB 3.79Å; V439-W554 HydrophobicContact CG1-CD2 4.49Å; V439-W554 HydrophobicContact CG1-CE3 4.06Å; V439-W554 HydrophobicContact CG1-CG 4.44Å; V439-V555 WeakPolarHBondContact CA-O 3.41Å; V439-F556 HydrophobicContact CG2-CD1 3.57Å; V439-F556 HydrophobicContact CG2-CE1 3.39Å; V439-F556 HydrophobicContact CG2-CE2 4.37Å; V439-F556 HydrophobicContact CG2-CG 4.14Å; V439-F556 HydrophobicContact CG2-CZ 3.82Å
440	R	97.3	Very high	93.9	Very high	85 Å²	85	37.5 Å²	37.5	32%	0.321	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.5	-170.5	-175.1	175.1	-65.9	-111.7	1.9	111.3	E438 Q442 K446 C468 V555	E438-R440 IonicContact OE2-NH2 3.23Å; E438-R440 PolarHBondContact OE2-NH2 3.22Å; R440-Q442 PolarHBondContact O-NE2 3.4Å; R440-K446 WeakPolarHBondContact CD-O 3.32Å; R440-K446 HydrophobicContact CG-CB 4.26Å; R440-K446 PolarHBondContact NH1-O 3.29Å; R440-C468 VanDerWaalsContact NH2-CB 3.32Å; R440-V555 PolarHBondContact N-O 2.97Å; R440-V555 PolarHBondContact O-N 2.99Å
441	N	97.8	Very high	94.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	142.2	172.7	-164.3	-89.6	0	0	0	110.1	G443 K446 Y448 M533 P550 L551 Q553 W554	N441-G443 WeakPolarHBondContact OD1-CA 3.45Å; N441-G443 PolarHBondContact OD1-N 3.23Å; N441-K446 WeakPolarHBondContact O-CA 3.36Å; N441-Y448 PolarHBondContact N-O 3.09Å; N441-M533 HydrophobicContact CB-CE 4.25Å; N441-M533 HydrophobicContact CB-SD 4.03Å; N441-M533 WeakPolarHBondContact OD1-CE 3.39Å; N441-P550 PolarHBondContact OD1-O 2.84Å; N441-L551 PolarHBondContact ND2-O 3.27Å; N441-Q553 CarbonylContact C-O 3.6Å; N441-Q553 WeakPolarHBondContact CA-O 3.31Å; N441-W554 HydrophobicContact CB-CD2 4.47Å; N441-W554 HydrophobicContact CB-CE3 3.82Å; N441-W554 HydrophobicContact CB-CH2 4.03Å; N441-W554 HydrophobicContact CB-CZ3 3.59Å; N441-W554 VanDerWaalsContact ND2-CE2 3.28Å; N441-W554 WeakPolarHBondContact ND2-CH2 3.16Å; N441-W554 WeakPolarHBondContact ND2-CZ2 3.35Å
442	Q	96.6	Very high	94.4	Very high	34 Å²	34	37.3 Å²	37.3	16%	0.159	18%	0.178	C	C	.	.	S	Bend	trans	-86.2	-11.9	179	-59.4	-56.8	-69.7	0	0	113.8	R440 K446 P550 Q553 V555	R440-Q442 PolarHBondContact O-NE2 3.4Å; Q442-K446 VanDerWaalsContact OE1-CD 3.3Å; Q442-P550 CarbonylContact C-O 3.43Å; Q442-P550 HydrophobicContact CB-CB 4.31Å; Q442-P550 PolarHBondContact N-O 2.99Å; Q442-Q553 HydrophobicContact CB-CB 3.88Å; Q442-Q553 HydrophobicContact CG-CB 3.7Å; Q442-Q553 PolarHBondContact N-O 2.78Å; Q442-V555 HydrophobicContact CG-CG2 3.94Å; Q442-V555 VanDerWaalsContact NE2-CG2 3.25Å
443	G	93.9	Very high	94.6	Very high	4 Å²	4	36.2 Å²	36.2	4%	0.041	17%	0.174	C	C	.	.	S	Bend	trans	-73.2	171.8	172	0	0	0	0	0	113.1	N441 Q445 K446 P550	N441-G443 WeakPolarHBondContact OD1-CA 3.45Å; N441-G443 PolarHBondContact OD1-N 3.23Å; G443-Q445 VanDerWaalsContact C-N 3.33Å; G443-Q445 PolarHBondContact O-N 3.39Å; G443-K446 WeakPolarHBondContact O-CA 3.41Å; G443-K446 PolarHBondContact O-N 2.88Å; G443-P550 PolarHBondContact N-O 2.9Å
444	L	91.6	Very high	94.4	Very high	68 Å²	68	38.1 Å²	38.1	36%	0.356	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	44.6	52.6	177	-57.3	-178.4	0	0	0	113.6	K446 Q447 Y448 M533 E535 L551	L444-K446 PolarHBondContact O-N 3.34Å; L444-K446 VanDerWaalsContact O-N 3.09Å; L444-Q447 WeakPolarHBondContact O-CG 3.49Å; L444-Q447 PolarHBondContact O-N 3.07Å; L444-Y448 HydrophobicContact CB-CD2 4.05Å; L444-Y448 HydrophobicContact CB-CE2 4.11Å; L444-Y448 HydrophobicContact CD1-CD2 3.98Å; L444-Y448 HydrophobicContact CD1-CE2 3.7Å; L444-M533 HydrophobicContact CB-CE 4.12Å; L444-M533 HydrophobicContact CD1-CE 3.57Å; L444-M533 HydrophobicContact CG-CE 3.74Å; L444-E535 WeakPolarHBondContact CD1-O 3.41Å; L444-E535 WeakPolarHBondContact CD2-O 3.4Å; L444-L551 HydrophobicContact CG-CD2 4.44Å
445	Q	90.6	Very high	93.9	Very high	166 Å²	166	39.3 Å²	39.3	78%	0.776	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	56.2	26	-179.7	-54.3	176.7	6.1	0	0	114.4	G443 Q447	G443-Q445 VanDerWaalsContact C-N 3.33Å; G443-Q445 PolarHBondContact O-N 3.39Å; Q445-Q447 HydrophobicContact CB-CG 4.21Å; Q445-Q447 PolarHBondContact O-N 3.48Å
446	K	92.6	Very high	93.3	Very high	104 Å²	104	46 Å²	46	45%	0.452	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	60.9	29.3	178.5	-38.9	-173.7	-178.2	-161.7	0	114	R440 N441 Q442 G443 L444	R440-K446 WeakPolarHBondContact CD-O 3.32Å; R440-K446 HydrophobicContact CG-CB 4.26Å; R440-K446 PolarHBondContact NH1-O 3.29Å; N441-K446 WeakPolarHBondContact O-CA 3.36Å; Q442-K446 VanDerWaalsContact OE1-CD 3.3Å; G443-K446 WeakPolarHBondContact O-CA 3.41Å; G443-K446 PolarHBondContact O-N 2.88Å; L444-K446 PolarHBondContact O-N 3.34Å; L444-K446 VanDerWaalsContact O-N 3.09Å
447	Q	93.8	Very high	93	Very high	98 Å²	98	53.2 Å²	53.2	46%	0.458	27%	0.265	S	S	.	.			trans	-81.7	-20.7	-176.1	-67	-175.7	1.9	0	0	113.5	L444 Q445 P467 C468	L444-Q447 WeakPolarHBondContact O-CG 3.49Å; L444-Q447 PolarHBondContact O-N 3.07Å; Q445-Q447 HydrophobicContact CB-CG 4.21Å; Q445-Q447 PolarHBondContact O-N 3.48Å; Q447-P467 CarbonylContact O-C 3.55Å; Q447-P467 VanDerWaalsContact O-CA 3.3Å; Q447-P467 WeakPolarHBondContact O-CA 3.47Å; Q447-C468 PolarHBondContact O-N 2.97Å; Q447-C468 PolarHBondContact O-SG 2.92Å
448	Y	96.9	Very high	93	Very high	50 Å²	50	55 Å²	55	20%	0.196	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.4	-170.1	-68.9	-90.8	0	0	0	113	N441 L444 V465 Y466 P467 C468 M533	N441-Y448 PolarHBondContact N-O 3.09Å; L444-Y448 HydrophobicContact CB-CD2 4.05Å; L444-Y448 HydrophobicContact CB-CE2 4.11Å; L444-Y448 HydrophobicContact CD1-CD2 3.98Å; L444-Y448 HydrophobicContact CD1-CE2 3.7Å; Y448-V465 HydrophobicContact CD1-CB 4.28Å; Y448-V465 HydrophobicContact CD1-CG2 4.01Å; Y448-Y466 WeakPolarHBondContact CA-O 3.29Å; Y448-P467 HydrophobicContact CE1-CG 4.28Å; Y448-C468 PolarHBondContact O-SG 3.3Å; Y448-M533 VanDerWaalsContact CB-SD 3.51Å; Y448-M533 HydrophobicContact CD2-CE 4.3Å; Y448-M533 HydrophobicContact CD2-SD 4.22Å; Y448-M533 HydrophobicContact CG-SD 3.89Å
449	C	97.1	Very high	92.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153.9	177	-77.2	0	0	0	0	109.9	V439 D451 V465 Y466 C468 Q475	V439-C449 CarbonylContact O-C 3.59Å; V439-C449 VanDerWaalsContact O-CA 3.31Å; V439-C449 WeakPolarHBondContact O-CA 3.24Å; C449-D451 PolarHBondContact O-N 3.43Å; C449-V465 VanDerWaalsContact O-CA 3.22Å; C449-V465 WeakPolarHBondContact O-CA 3.39Å; C449-Y466 PolarHBondContact N-O 2.93Å; C449-Y466 PolarHBondContact O-N 3.48Å; C449-C468 HydrophobicContact CB-CB 4.01Å; C449-C468 WeakPolarHBondContact CB-SG 3.2Å; C449-C468 PolarHBondContact N-SG 3.23Å; C449-C468 WeakPolarHBondContact SG-CB 3.23Å; C449-C468 CovalentContact SG-SG 2.04Å; C449-C468 PolarHBondContact SG-SG 3.3Å; C449-Q475 HydrophobicContact CB-CG 4.43Å
450	L	96.7	Very high	92.7	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	123.8	167	-70	-176.5	0	0	0	109.3	V439 V463 Q475 W477 I492 M531 I540 W554	V439-L450 HydrophobicContact CB-CB 4.17Å; V439-L450 HydrophobicContact CB-CD1 3.8Å; V439-L450 HydrophobicContact CB-CG 4Å; V439-L450 HydrophobicContact CG1-CD1 3.63Å; V439-L450 HydrophobicContact CG1-CG 3.99Å; V439-L450 HydrophobicContact CG2-CD1 4.36Å; V439-L450 PolarHBondContact O-N 2.87Å; L450-V463 HydrophobicContact CD2-CG1 4.36Å; L450-Q475 WeakPolarHBondContact O-CA 3.39Å; L450-W477 HydrophobicContact CB-CZ2 4.49Å; L450-W477 PolarHBondContact O-NE1 3.34Å; L450-I492 HydrophobicContact CD1-CD1 4.39Å; L450-M531 HydrophobicContact CD1-SD 4.26Å; L450-M531 HydrophobicContact CD2-SD 3.86Å; L450-I540 HydrophobicContact CD2-CD1 3.3Å; L450-W554 HydrophobicContact CD2-CE3 4.04Å; L450-W554 HydrophobicContact CD2-CH2 3.57Å; L450-W554 HydrophobicContact CD2-CZ2 4.24Å; L450-W554 HydrophobicContact CD2-CZ3 3.45Å; L450-W554 VanDerWaalsContact CD2-CZ3 3.45Å; L450-W554 HydrophobicContact CG-CE3 3.88Å; L450-W554 HydrophobicContact CG-CH2 4.3Å; L450-W554 HydrophobicContact CG-CZ3 3.66Å
451	D	95.7	Very high	92.5	Very high	22 Å²	22	62.2 Å²	62.2	12%	0.118	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	117.4	-176.9	-166.9	-49.2	0	0	0	109.2	C449 S464 Y466 H469 N474 Q475	C449-D451 PolarHBondContact O-N 3.43Å; D451-S464 PolarHBondContact N-O 3.5Å; D451-S464 CarbonylContact O-C 3.58Å; D451-S464 PolarHBondContact O-N 3.07Å; D451-Y466 VanDerWaalsContact CB-CB 3.47Å; D451-Y466 WeakPolarHBondContact OD2-CB 3.4Å; D451-H469 IonicContact OD2-NE2 3.87Å; D451-N474 WeakPolarHBondContact OD1-CB 3.49Å; D451-Q475 HydrophobicContact CB-CG 3.91Å; D451-Q475 WeakPolarHBondContact OD2-CG 3.23Å; D451-Q475 PolarHBondContact OD2-NE2 3.24Å
452	S	94.7	Very high	92.4	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.014	33%	0.327	C	S	.	.			trans	-153.7	131.3	172.5	-161.7	0	0	0	0	112.1	N474 R487 I501	S452-N474 PolarHBondContact N-O 2.78Å; S452-R487 PolarHBondContact O-NH1 3.34Å; S452-I501 WeakPolarHBondContact OG-CG1 3.27Å
453	P	92.2	Very high	92.3	Very high	45 Å²	45	63.2 Å²	63.2	29%	0.292	32%	0.321	S	S	.	.			trans	-66.2	143.2	167	30	-35.5	0	0	0	110.7	H458	P453-H458 VanDerWaalsContact CG-CE1 3.49Å; P453-H458 WeakPolarHBondContact CG-CE1 3.29Å; P453-H458 VanDerWaalsContact CG-ND1 3.32Å; P453-H458 WeakPolarHBondContact CG-ND1 3.28Å; P453-H458 VanDerWaalsContact O-CB 3.27Å; P453-H458 WeakPolarHBondContact O-CB 3.32Å
454	T	89.6	Confident	92.3	Very high	39 Å²	39	65.3 Å²	65.3	24%	0.239	34%	0.335	C	S	.	.			trans	-117.5	178.1	-173	53.9	0	0	0	0	112.6	H458 R487 I501	T454-H458 PolarHBondContact O-CD2 3.17Å; T454-H458 VanDerWaalsContact O-CD2 3.28Å; T454-R487 HydrophobicContact CG2-CB 3.76Å; T454-R487 HydrophobicContact CG2-CG 4.15Å; T454-R487 VanDerWaalsContact CG2-NH1 3.33Å; T454-R487 PolarHBondContact OG1-NH1 3.28Å; T454-I501 HydrophobicContact CG2-CD1 4.25Å; T454-I501 HydrophobicContact CG2-CG2 4.46Å
455	G	84.4	Confident	92.5	Very high	30 Å²	30	62.4 Å²	62.4	31%	0.309	32%	0.32	S	S	.	.	S	Bend	trans	91.9	175.9	179.8	0	0	0	0	0	114.2	K457 H458 K459 S490	G455-K457 VanDerWaalsContact C-N 3.26Å; G455-K457 PolarHBondContact O-N 3Å; G455-K457 VanDerWaalsContact O-N 3.09Å; G455-H458 CarbonylContact O-C 3.48Å; G455-H458 WeakPolarHBondContact O-CA 3.24Å; G455-H458 PolarHBondContact O-N 3.32Å; G455-K459 PolarHBondContact O-N 2.82Å; G455-S490 PolarHBondContact N-OG 3Å; G455-S490 VanDerWaalsContact N-OG 3.13Å
456	N	82.4	Confident	92.8	Very high	140 Å²	140	61.3 Å²	61.3	75%	0.749	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-57.2	-32.5	-168.4	-76.8	-23.3	0	0	0	114.7	H458 K459	N456-H458 PolarHBondContact O-N 2.89Å; N456-K459 WeakPolarHBondContact O-CB 3.44Å; N456-K459 PolarHBondContact O-N 2.69Å
457	K	87.5	Confident	92.9	Very high	183 Å²	183	59.2 Å²	59.2	80%	0.796	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-69.9	-15.1	177	-65.7	-178.1	-178.6	175.7	0	113.8	G455 K461	G455-K457 VanDerWaalsContact C-N 3.26Å; G455-K457 PolarHBondContact O-N 3Å; G455-K457 VanDerWaalsContact O-N 3.09Å; K457-K461 VanDerWaalsContact O-CE 3.29Å; K457-K461 WeakPolarHBondContact O-CE 3.04Å; K457-K461 PolarHBondContact O-NZ 3.01Å
458	H	91.5	Very high	93	Very high	49 Å²	49	55.9 Å²	55.9	23%	0.227	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-113.9	5.5	-178.7	-59.8	-84.9	0	0	0	112.5	P453 T454 G455 N456 N460 K461	P453-H458 VanDerWaalsContact CG-CE1 3.49Å; P453-H458 WeakPolarHBondContact CG-CE1 3.29Å; P453-H458 VanDerWaalsContact CG-ND1 3.32Å; P453-H458 WeakPolarHBondContact CG-ND1 3.28Å; P453-H458 VanDerWaalsContact O-CB 3.27Å; P453-H458 WeakPolarHBondContact O-CB 3.32Å; T454-H458 PolarHBondContact O-CD2 3.17Å; T454-H458 VanDerWaalsContact O-CD2 3.28Å; G455-H458 CarbonylContact O-C 3.48Å; G455-H458 WeakPolarHBondContact O-CA 3.24Å; G455-H458 PolarHBondContact O-N 3.32Å; N456-H458 PolarHBondContact O-N 2.89Å; H458-N460 PolarHBondContact O-N 3.14Å; H458-K461 HydrophobicContact CB-CD 4.23Å; H458-K461 VanDerWaalsContact O-CB 3.31Å; H458-K461 WeakPolarHBondContact O-CB 3.09Å; H458-K461 WeakPolarHBondContact O-CG 3.36Å; H458-K461 PolarHBondContact O-N 3.07Å
459	K	90.4	Very high	92.7	Very high	81 Å²	81	56.9 Å²	56.9	35%	0.352	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	134.6	171.4	-176	176.2	-178.2	176.3	0	110.5	G455 N456 K461 I501 Y502 P503	G455-K459 PolarHBondContact O-N 2.82Å; N456-K459 WeakPolarHBondContact O-CB 3.44Å; N456-K459 PolarHBondContact O-N 2.69Å; K459-K461 PolarHBondContact O-N 3.06Å; K459-I501 CarbonylContact C-O 3.56Å; K459-I501 WeakPolarHBondContact CA-O 3.31Å; K459-Y502 HydrophobicContact CD-CE2 4.33Å; K459-Y502 WeakPolarHBondContact CE-OH 3.22Å; K459-Y502 HydrophobicContact CG-CD2 4.11Å; K459-Y502 HydrophobicContact CG-CE2 4.23Å; K459-Y502 PolarHBondContact NZ-OH 2.93Å; K459-P503 HydrophobicContact CD-CG 4.36Å
460	N	92.7	Very high	92.3	Very high	86 Å²	86	59.9 Å²	59.9	46%	0.46	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	11.3	-176.6	-51.7	-35.3	0	0	0	115.4	H458 M500 I501 Y502	H458-N460 PolarHBondContact O-N 3.14Å; N460-M500 HydrophobicContact CB-SD 4.31Å; N460-I501 PolarHBondContact N-O 3.29Å; N460-Y502 VanDerWaalsContact OD1-CD2 3.26Å; N460-Y502 WeakPolarHBondContact OD1-CD2 3.32Å; N460-Y502 VanDerWaalsContact OD1-CE2 3.26Å; N460-Y502 WeakPolarHBondContact OD1-CE2 3.31Å
461	K	94.3	Very high	91.7	Very high	105 Å²	105	66.9 Å²	66.9	46%	0.457	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-85.1	143.8	172.3	-63.6	-170.1	-177.1	171.3	0	110.4	K457 H458 K459 M500 I501	K457-K461 VanDerWaalsContact O-CE 3.29Å; K457-K461 WeakPolarHBondContact O-CE 3.04Å; K457-K461 PolarHBondContact O-NZ 3.01Å; H458-K461 HydrophobicContact CB-CD 4.23Å; H458-K461 VanDerWaalsContact O-CB 3.31Å; H458-K461 WeakPolarHBondContact O-CB 3.09Å; H458-K461 WeakPolarHBondContact O-CG 3.36Å; H458-K461 PolarHBondContact O-N 3.07Å; K459-K461 PolarHBondContact O-N 3.06Å; K461-M500 CarbonylContact O-C 3.49Å; K461-M500 WeakPolarHBondContact O-CA 3.26Å; K461-M500 WeakPolarHBondContact O-CB 3.38Å; K461-I501 PolarHBondContact O-N 2.86Å
462	A	94.5	Very high	91.2	Very high	50 Å²	50	66.6 Å²	66.6	41%	0.413	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-60.2	141.2	177.1	0	0	0	0	0	111.4	F498 P499	A462-F498 HydrophobicContact CB-CD2 3.43Å; A462-F498 VanDerWaalsContact CB-CD2 3.43Å; A462-F498 HydrophobicContact CB-CE2 3.68Å; A462-F498 HydrophobicContact CB-CG 4.05Å; A462-F498 HydrophobicContact CB-CZ 4.45Å; A462-P499 WeakPolarHBondContact CA-O 3.48Å
463	V	95.1	Very high	90.7	Very high	5 Å²	5	68.6 Å²	68.6	3%	0.03	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-73.2	137.6	165.9	-178	0	0	0	0	108.1	L450 W477 I492 P499 I501 I540	L450-V463 HydrophobicContact CD2-CG1 4.36Å; V463-W477 HydrophobicContact CG1-CH2 4.35Å; V463-W477 HydrophobicContact CG1-CZ2 4.24Å; V463-I492 HydrophobicContact CG1-CD1 4.24Å; V463-I492 HydrophobicContact CG2-CD1 4.24Å; V463-I492 HydrophobicContact CG2-CG1 4.08Å; V463-I492 HydrophobicContact CG2-CG2 3.98Å; V463-P499 PolarHBondContact N-O 3.45Å; V463-I501 HydrophobicContact CG2-CD1 3.69Å; V463-I501 HydrophobicContact CG2-CG1 4.17Å; V463-I540 HydrophobicContact CB-CD1 4.32Å; V463-I540 HydrophobicContact CG1-CD1 3.85Å
464	S	94	Very high	90.7	Very high	48 Å²	48	69.6 Å²	69.6	34%	0.336	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	175.9	-179	-164.8	0	0	0	0	110.5	D451	D451-S464 PolarHBondContact N-O 3.5Å; D451-S464 CarbonylContact O-C 3.58Å; D451-S464 PolarHBondContact O-N 3.07Å
465	V	96.1	Very high	90.9	Very high	7 Å²	7	67.8 Å²	67.8	4%	0.042	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	156	161.5	-65.2	0	0	0	0	110	Y448 C449 M533 G537 I540 W554	Y448-V465 HydrophobicContact CD1-CB 4.28Å; Y448-V465 HydrophobicContact CD1-CG2 4.01Å; C449-V465 VanDerWaalsContact O-CA 3.22Å; C449-V465 WeakPolarHBondContact O-CA 3.39Å; V465-M533 HydrophobicContact CB-SD 4.29Å; V465-M533 HydrophobicContact CG1-CG 4.04Å; V465-M533 HydrophobicContact CG1-SD 4.05Å; V465-M533 HydrophobicContact CG2-CG 4.02Å; V465-M533 HydrophobicContact CG2-SD 3.99Å; V465-G537 WeakPolarHBondContact CG2-O 3.38Å; V465-I540 HydrophobicContact CG1-CD1 4.07Å; V465-I540 HydrophobicContact CG1-CG1 3.93Å; V465-W554 HydrophobicContact CG1-CH2 3.68Å; V465-W554 HydrophobicContact CG1-CZ3 4.13Å
466	Y	95.7	Very high	91.2	Very high	142 Å²	142	69.3 Å²	69.3	56%	0.557	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.7	171.6	-162.3	-102.3	0	0	0	109.2	Y448 C449 D451 C468	Y448-Y466 WeakPolarHBondContact CA-O 3.29Å; C449-Y466 PolarHBondContact N-O 2.93Å; C449-Y466 PolarHBondContact O-N 3.48Å; D451-Y466 VanDerWaalsContact CB-CB 3.47Å; D451-Y466 WeakPolarHBondContact OD2-CB 3.4Å; Y466-C468 PolarHBondContact O-N 3.08Å
467	P	95.7	Very high	91.8	Very high	61 Å²	61	62.7 Å²	62.7	40%	0.396	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49	129.6	171.3	-31.8	37.4	0	0	0	112	Q447 Y448 H469 Q475	Q447-P467 CarbonylContact O-C 3.55Å; Q447-P467 VanDerWaalsContact O-CA 3.3Å; Q447-P467 WeakPolarHBondContact O-CA 3.47Å; Y448-P467 HydrophobicContact CE1-CG 4.28Å; P467-H469 PolarHBondContact O-N 3.45Å; P467-Q475 PolarHBondContact O-NE2 2.73Å
468	C	95.6	Very high	92.1	Very high	28 Å²	28	54 Å²	54	19%	0.189	30%	0.303	C	S	.	.			trans	-63	125.5	-178.5	-59.9	0	0	0	0	110.2	R440 Q447 Y448 C449 Y466	R440-C468 VanDerWaalsContact NH2-CB 3.32Å; Q447-C468 PolarHBondContact O-N 2.97Å; Q447-C468 PolarHBondContact O-SG 2.92Å; Y448-C468 PolarHBondContact O-SG 3.3Å; C449-C468 HydrophobicContact CB-CB 4.01Å; C449-C468 WeakPolarHBondContact CB-SG 3.2Å; C449-C468 PolarHBondContact N-SG 3.23Å; C449-C468 WeakPolarHBondContact SG-CB 3.23Å; C449-C468 CovalentContact SG-SG 2.04Å; C449-C468 PolarHBondContact SG-SG 3.3Å; Y466-C468 PolarHBondContact O-N 3.08Å
469	H	92	Very high	92.3	Very high	71 Å²	71	52.1 Å²	52.1	33%	0.329	29%	0.294	S	S	.	.			trans	-115.7	-7.7	-172.8	56.1	69.7	0	0	0	115.4	D451 P467 E471 G472 Q475	D451-H469 IonicContact OD2-NE2 3.87Å; P467-H469 PolarHBondContact O-N 3.45Å; H469-E471 HydrophobicContact CB-CG 4.37Å; H469-E471 WeakPolarHBondContact ND1-CB 3.44Å; H469-E471 PolarHBondContact ND1-N 3.48Å; H469-E471 WeakPolarHBondContact O-CG 3.43Å; H469-E471 PolarHBondContact O-N 2.89Å; H469-G472 PolarHBondContact CE1-O 2.94Å; H469-G472 VanDerWaalsContact CE1-O 3.31Å; H469-Q475 PolarHBondContact CD2-NE2 2.87Å; H469-Q475 PolarHBondContact CD2-OE1 2.84Å; H469-Q475 VanDerWaalsContact NE2-CG 3.35Å; H469-Q475 WeakPolarHBondContact NE2-CG 3.41Å; H469-Q475 PolarHBondContact NE2-NE2 3.21Å
470	G	86.9	Confident	92.5	Very high	62 Å²	62	48.4 Å²	48.4	64%	0.639	28%	0.278	S	S	*	.	S	Bend	trans	76	-1.4	175.8	0	0	0	0	0	115	E438	E438-G470 WeakPolarHBondContact OE1-CA 3.49Å; E438-G470 PolarHBondContact OE1-N 3.08Å
471	E	84.9	Confident	92.4	Very high	148 Å²	148	48.2 Å²	48.2	69%	0.692	27%	0.273	S	S	*	.	S	Bend	trans	-96.1	2.6	-171.3	-46.8	-171.4	155.4	0	0	113.4	H469 G473	H469-E471 HydrophobicContact CB-CG 4.37Å; H469-E471 WeakPolarHBondContact ND1-CB 3.44Å; H469-E471 PolarHBondContact ND1-N 3.48Å; H469-E471 WeakPolarHBondContact O-CG 3.43Å; H469-E471 PolarHBondContact O-N 2.89Å; E471-G473 PolarHBondContact O-N 3.49Å
472	G	84.6	Confident	92.2	Very high	16 Å²	16	48 Å²	48	17%	0.165	28%	0.277	C	S	.	.			trans	66.4	-116.7	-173.3	0	0	0	0	0	111	H469 N474 Q475	H469-G472 PolarHBondContact CE1-O 2.94Å; H469-G472 VanDerWaalsContact CE1-O 3.31Å; G472-N474 PolarHBondContact O-N 2.99Å; G472-Q475 PolarHBondContact O-N 3.46Å
473	G	85	Confident	92.2	Very high	45 Å²	45	45.8 Å²	45.8	46%	0.464	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	54.5	-124.4	178.6	0	0	0	0	0	111.6	E471 Q475 Y476 R487	E471-G473 PolarHBondContact O-N 3.49Å; G473-Q475 PolarHBondContact O-N 2.8Å; G473-Y476 PolarHBondContact O-N 2.84Å; G473-Y476 VanDerWaalsContact O-N 3.16Å; G473-R487 VanDerWaalsContact C-NH2 3.32Å; G473-R487 PolarHBondContact O-NE 3.5Å; G473-R487 PolarHBondContact O-NH2 3Å
474	N	91.4	Very high	92.2	Very high	66 Å²	66	45.8 Å²	45.8	35%	0.353	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-65.2	-14.7	-179.5	-68.7	-16.1	0	0	0	115.1	D451 S452 G472 R487	D451-N474 WeakPolarHBondContact OD1-CB 3.49Å; S452-N474 PolarHBondContact N-O 2.78Å; G472-N474 PolarHBondContact O-N 2.99Å; N474-R487 PolarHBondContact OD1-NH1 3.49Å
475	Q	93.6	Very high	92.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-98.7	2	178	-62.6	-173.6	-3.3	0	0	113.5	E438 C449 L450 D451 P467 H469 G472 G473	E438-Q475 WeakPolarHBondContact CA-O 3.44Å; C449-Q475 HydrophobicContact CB-CG 4.43Å; L450-Q475 WeakPolarHBondContact O-CA 3.39Å; D451-Q475 HydrophobicContact CB-CG 3.91Å; D451-Q475 WeakPolarHBondContact OD2-CG 3.23Å; D451-Q475 PolarHBondContact OD2-NE2 3.24Å; P467-Q475 PolarHBondContact O-NE2 2.73Å; H469-Q475 PolarHBondContact CD2-NE2 2.87Å; H469-Q475 PolarHBondContact CD2-OE1 2.84Å; H469-Q475 VanDerWaalsContact NE2-CG 3.35Å; H469-Q475 WeakPolarHBondContact NE2-CG 3.41Å; H469-Q475 PolarHBondContact NE2-NE2 3.21Å; G472-Q475 PolarHBondContact O-N 3.46Å; G473-Q475 PolarHBondContact O-N 2.8Å
476	Y	90.9	Very high	92.2	Very high	63 Å²	63	44.6 Å²	44.6	25%	0.247	25%	0.246	C	C	.	.			trans	-90	109.6	178.2	-168.5	-84.2	0	0	0	111	L436 G473 M478 R487	L436-Y476 HydrophobicContact CD1-CE2 4.49Å; G473-Y476 PolarHBondContact O-N 2.84Å; G473-Y476 VanDerWaalsContact O-N 3.16Å; Y476-M478 HydrophobicContact CD1-CG 4.43Å; Y476-M478 HydrophobicContact CE1-CE 4.35Å; Y476-M478 HydrophobicContact CE1-CG 3.84Å; Y476-M478 HydrophobicContact CE1-SD 3.86Å; Y476-R487 WeakPolarHBondContact O-CD 3.42Å; Y476-R487 WeakPolarHBondContact O-CG 3.02Å; Y476-R487 PolarHBondContact O-NE 2.87Å
477	W	94.7	Very high	91.9	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	157.5	-179.5	-63.6	89.9	0	0	0	111.9	L436 G437 V439 L450 V463 R487 I492 I501	L436-W477 CarbonylContact C-O 3.42Å; L436-W477 VanDerWaalsContact CA-O 3.25Å; L436-W477 WeakPolarHBondContact CA-O 3.47Å; G437-W477 PolarHBondContact N-O 2.76Å; G437-W477 PolarHBondContact O-N 2.85Å; V439-W477 HydrophobicContact CG2-CB 3.76Å; V439-W477 HydrophobicContact CG2-CG 4.2Å; L450-W477 HydrophobicContact CB-CZ2 4.49Å; L450-W477 PolarHBondContact O-NE1 3.34Å; V463-W477 HydrophobicContact CG1-CH2 4.35Å; V463-W477 HydrophobicContact CG1-CZ2 4.24Å; W477-R487 HydrophobicContact CD2-CG 3.79Å; W477-R487 HydrophobicContact CE3-CG 3.48Å; W477-R487 VanDerWaalsContact CE3-CG 3.48Å; W477-R487 HydrophobicContact CG-CG 4.4Å; W477-R487 HydrophobicContact CH2-CG 4.3Å; W477-R487 HydrophobicContact CZ3-CG 3.74Å; W477-I492 HydrophobicContact CE3-CD1 4Å; W477-I492 HydrophobicContact CE3-CG1 4.16Å; W477-I492 HydrophobicContact CH2-CD1 3.77Å; W477-I492 HydrophobicContact CH2-CG1 3.75Å; W477-I492 HydrophobicContact CZ2-CD1 4.43Å; W477-I492 HydrophobicContact CZ3-CD1 3.55Å; W477-I492 HydrophobicContact CZ3-CG1 3.36Å; W477-I501 HydrophobicContact CH2-CD1 3.72Å; W477-I501 HydrophobicContact CZ3-CD1 4.38Å
478	M	95.1	Very high	91.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.4	178.9	-67.9	169.6	-69	0	0	109.8	F428 P430 A435 L436 Y476 R486	F428-M478 HydrophobicContact CE1-CB 4.18Å; F428-M478 HydrophobicContact CE1-CE 3.87Å; F428-M478 HydrophobicContact CE1-SD 3.65Å; F428-M478 HydrophobicContact CZ-CB 4.13Å; F428-M478 HydrophobicContact CZ-SD 4.36Å; P430-M478 HydrophobicContact CB-SD 3.63Å; P430-M478 HydrophobicContact CG-SD 4.03Å; A435-M478 WeakPolarHBondContact O-CA 3.18Å; L436-M478 HydrophobicContact CB-CG 3.92Å; Y476-M478 HydrophobicContact CD1-CG 4.43Å; Y476-M478 HydrophobicContact CE1-CE 4.35Å; Y476-M478 HydrophobicContact CE1-CG 3.84Å; Y476-M478 HydrophobicContact CE1-SD 3.86Å; M478-R486 HydrophobicContact CB-CG 4.32Å; M478-R486 PolarHBondContact N-O 2.89Å; M478-R486 PolarHBondContact O-N 3.38Å
479	L	95.9	Very high	90.9	Very high	9 Å²	9	40 Å²	40	5%	0.047	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	114.3	170.2	-180	64.3	0	0	0	108.8	S433 V434 A435 E484 L485 Y515 F517 F556	S433-L479 CarbonylContact C-O 3.48Å; S433-L479 WeakPolarHBondContact CA-O 3.26Å; V434-L479 HydrophobicContact CB-CD2 4.19Å; V434-L479 HydrophobicContact CB-CG 4.28Å; V434-L479 HydrophobicContact CG1-CD2 4.41Å; V434-L479 PolarHBondContact N-O 2.98Å; A435-L479 HydrophobicContact CB-CB 4.21Å; A435-L479 PolarHBondContact O-N 3.24Å; L479-E484 WeakPolarHBondContact CA-O 3.12Å; L479-L485 HydrophobicContact CD1-CD2 3.92Å; L479-L485 HydrophobicContact CD1-CG 4.5Å; L479-Y515 HydrophobicContact CD2-CD1 4.26Å; L479-Y515 HydrophobicContact CD2-CG 4.35Å; L479-F517 HydrophobicContact CD2-CZ 4.01Å; L479-F556 HydrophobicContact CB-CE1 4.23Å; L479-F556 HydrophobicContact CB-CZ 3.93Å
480	S	93.9	Very high	90.9	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.021	21%	0.209	C	C	.	.			trans	-75.1	163.6	179.4	81.5	0	0	0	0	112.2	D482 A483 E484	S480-D482 PolarHBondContact O-N 3.09Å; S480-D482 PolarHBondContact OG-N 2.71Å; S480-A483 PolarHBondContact O-N 3.34Å; S480-A483 VanDerWaalsContact O-N 3.12Å; S480-E484 PolarHBondContact N-O 3.45Å; S480-E484 VanDerWaalsContact OG-CB 3.31Å; S480-E484 WeakPolarHBondContact OG-CB 3.44Å; S480-E484 PolarHBondContact OG-N 3.48Å
481	K	91.2	Very high	91.3	Very high	81 Å²	81	34.2 Å²	34.2	35%	0.352	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28	172.6	-63.1	175.5	-174.8	164	0	111.9	D432 V434 A483 V563 V567	D432-K481 VanDerWaalsContact CG-NZ 3.34Å; D432-K481 WeakPolarHBondContact O-CE 3.2Å; D432-K481 WeakPolarHBondContact O-CG 3.12Å; D432-K481 IonicContact OD1-NZ 2.71Å; D432-K481 PolarHBondContact OD1-NZ 3.15Å; V434-K481 HydrophobicContact CG2-CG 4.49Å; K481-A483 PolarHBondContact O-N 2.91Å; K481-V563 HydrophobicContact CD-CG1 4.32Å; K481-V563 HydrophobicContact CG-CG1 3.93Å; K481-V567 HydrophobicContact CB-CG2 3.94Å; K481-V567 HydrophobicContact CG-CG2 3.89Å
482	D	89.5	Confident	91.9	Very high	101 Å²	101	27.1 Å²	27.1	54%	0.54	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	13.3	177.4	-58.8	-53.4	0	0	0	113.6	S480 E484	S480-D482 PolarHBondContact O-N 3.09Å; S480-D482 PolarHBondContact OG-N 2.71Å; D482-E484 VanDerWaalsContact C-N 3.34Å; D482-E484 PolarHBondContact O-N 2.05Å
483	A	94	Very high	92.4	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.025	14%	0.138	C	C	.	.	S	Bend	trans	63.8	32.1	-179.6	0	0	0	0	0	114.5	S480 K481 E512 W513 R571	S480-A483 PolarHBondContact O-N 3.34Å; S480-A483 VanDerWaalsContact O-N 3.12Å; K481-A483 PolarHBondContact O-N 2.91Å; A483-E512 HydrophobicContact CB-CG 4.04Å; A483-W513 WeakPolarHBondContact CB-O 3.14Å; A483-W513 PolarHBondContact O-N 2.91Å; A483-R571 VanDerWaalsContact CB-NH2 3.32Å
484	E	95.5	Very high	93	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.023	12%	0.122	C	C	.	.			trans	-94	134.3	172	-54.8	172.1	140.9	0	0	110.5	L479 S480 D482 R486 G506	L479-E484 WeakPolarHBondContact CA-O 3.12Å; S480-E484 PolarHBondContact N-O 3.45Å; S480-E484 VanDerWaalsContact OG-CB 3.31Å; S480-E484 WeakPolarHBondContact OG-CB 3.44Å; S480-E484 PolarHBondContact OG-N 3.48Å; D482-E484 VanDerWaalsContact C-N 3.34Å; D482-E484 PolarHBondContact O-N 2.05Å; E484-R486 IonicContact OE2-CZ 2.77Å; E484-R486 IonicContact OE2-NH1 3.13Å; E484-R486 PolarHBondContact OE2-NH1 3Å; E484-G506 WeakPolarHBondContact OE1-CA 3.35Å; E484-G506 PolarHBondContact OE1-N 3.28Å
485	L	96.1	Very high	92.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111.1	166.7	-67	169.4	0	0	0	108.8	L479 C491 I492 W513 M522 M531 F556	L479-L485 HydrophobicContact CD1-CD2 3.92Å; L479-L485 HydrophobicContact CD1-CG 4.5Å; L485-C491 CarbonylContact O-C 3.38Å; L485-C491 VanDerWaalsContact O-CA 3.3Å; L485-C491 WeakPolarHBondContact O-CA 3.14Å; L485-I492 HydrophobicContact CB-CB 4.16Å; L485-I492 HydrophobicContact CB-CD1 3.97Å; L485-I492 HydrophobicContact CB-CG1 4.01Å; L485-I492 HydrophobicContact CD1-CD1 4.18Å; L485-I492 PolarHBondContact O-N 3.38Å; L485-W513 HydrophobicContact CB-CG 4.43Å; L485-W513 HydrophobicContact CD1-CB 3.81Å; L485-W513 HydrophobicContact CD1-CD2 3.51Å; L485-W513 HydrophobicContact CD1-CE3 3.97Å; L485-W513 HydrophobicContact CD1-CG 3.4Å; L485-W513 VanDerWaalsContact CD1-CG 3.4Å; L485-W513 HydrophobicContact CG-CB 3.87Å; L485-W513 HydrophobicContact CG-CD2 4.35Å; L485-W513 HydrophobicContact CG-CG 3.73Å; L485-M522 HydrophobicContact CD1-CE 3.85Å; L485-M522 HydrophobicContact CD1-CG 3.84Å; L485-M522 HydrophobicContact CD1-SD 3.21Å; L485-M522 WeakPolarHBondContact CD1-SD 3.42Å; L485-M522 HydrophobicContact CD2-CE 3.74Å; L485-M522 HydrophobicContact CD2-SD 4.27Å; L485-M522 HydrophobicContact CG-CE 4.46Å; L485-M522 HydrophobicContact CG-SD 4.36Å; L485-M531 HydrophobicContact CD1-CE 4.29Å; L485-F556 HydrophobicContact CD2-CE2 4.49Å; L485-F556 HydrophobicContact CD2-CZ 3.71Å
486	R	93.9	Very high	92.2	Very high	29 Å²	29	30.2 Å²	30.2	11%	0.109	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.5	-166	67.7	-172.6	-65.6	171	-7.3	115.1	F428 M478 E484 D488 S490 C491	F428-R486 VanDerWaalsContact CB-CZ 3.49Å; F428-R486 HydrophobicContact CE1-CG 4.25Å; F428-R486 VanDerWaalsContact CG-CZ 3.47Å; F428-R486 HydrophobicContact CZ-CG 4.24Å; M478-R486 HydrophobicContact CB-CG 4.32Å; M478-R486 PolarHBondContact N-O 2.89Å; M478-R486 PolarHBondContact O-N 3.38Å; E484-R486 IonicContact OE2-CZ 2.77Å; E484-R486 IonicContact OE2-NH1 3.13Å; E484-R486 PolarHBondContact OE2-NH1 3Å; R486-D488 VanDerWaalsContact CZ-O 3.26Å; R486-D488 PolarHBondContact NE-O 3.24Å; R486-D488 PolarHBondContact NH2-O 2.97Å; R486-S490 CarbonylContact C-O 3.57Å; R486-S490 WeakPolarHBondContact CA-O 3.36Å; R486-S490 WeakPolarHBondContact CB-O 3.21Å; R486-C491 VanDerWaalsContact CB-SG 3.59Å
487	R	89.7	Confident	91.9	Very high	29 Å²	29	35.5 Å²	35.5	11%	0.109	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	101.5	167.8	-62	-167.5	54.3	-128.1	-10.1	106.9	S452 T454 G473 N474 Y476 W477 E489 S490	S452-R487 PolarHBondContact O-NH1 3.34Å; T454-R487 HydrophobicContact CG2-CB 3.76Å; T454-R487 HydrophobicContact CG2-CG 4.15Å; T454-R487 VanDerWaalsContact CG2-NH1 3.33Å; T454-R487 PolarHBondContact OG1-NH1 3.28Å; G473-R487 VanDerWaalsContact C-NH2 3.32Å; G473-R487 PolarHBondContact O-NE 3.5Å; G473-R487 PolarHBondContact O-NH2 3Å; N474-R487 PolarHBondContact OD1-NH1 3.49Å; Y476-R487 WeakPolarHBondContact O-CD 3.42Å; Y476-R487 WeakPolarHBondContact O-CG 3.02Å; Y476-R487 PolarHBondContact O-NE 2.87Å; W477-R487 HydrophobicContact CD2-CG 3.79Å; W477-R487 HydrophobicContact CE3-CG 3.48Å; W477-R487 VanDerWaalsContact CE3-CG 3.48Å; W477-R487 HydrophobicContact CG-CG 4.4Å; W477-R487 HydrophobicContact CH2-CG 4.3Å; W477-R487 HydrophobicContact CZ3-CG 3.74Å; R487-E489 PolarHBondContact O-N 3.22Å; R487-E489 VanDerWaalsContact O-N 3.16Å; R487-S490 PolarHBondContact N-O 2.79Å; R487-S490 PolarHBondContact O-N 3.42Å
488	D	83	Confident	91.6	Very high	33 Å²	33	39.4 Å²	39.4	18%	0.176	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-116.4	-172.4	-65	-44	0	0	0	111.6	R390 R486	R390-D488 IonicContact CZ-OD1 3.71Å; R390-D488 IonicContact CZ-OD2 3.36Å; R390-D488 IonicContact NE-OD2 2.79Å; R390-D488 IonicContact NH2-OD1 2.85Å; R390-D488 PolarHBondContact NH2-OD1 3.36Å; R390-D488 IonicContact NH2-OD2 3.89Å; R390-D488 PolarHBondContact NH2-OD2 2.94Å; R486-D488 VanDerWaalsContact CZ-O 3.26Å; R486-D488 PolarHBondContact NE-O 3.24Å; R486-D488 PolarHBondContact NH2-O 2.97Å
489	E	86.7	Confident	91.7	Very high	74 Å²	74	39.4 Å²	39.4	35%	0.346	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	0.7	-178.7	-61.2	-179.4	-173.6	0	0	113.7	S274 H276 R487 P503 C504	S274-E489 PolarHBondContact OG-OE1 2.79Å; H276-E489 IonicContact CE1-OE1 2.77Å; H276-E489 PolarHBondContact CE1-OE1 3.24Å; H276-E489 IonicContact CE1-OE2 3.7Å; H276-E489 IonicContact NE2-OE1 3.72Å; H276-E489 PolarHBondContact NE2-OE1 2.77Å; R487-E489 PolarHBondContact O-N 3.22Å; R487-E489 VanDerWaalsContact O-N 3.16Å; E489-P503 WeakPolarHBondContact O-CA 3.36Å; E489-C504 VanDerWaalsContact C-SG 3.55Å; E489-C504 PolarHBondContact O-N 3.43Å; E489-C504 PolarHBondContact O-SG 3.37Å
490	S	92.3	Very high	91.6	Very high	10 Å²	10	40.6 Å²	40.6	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.2	178.5	-63.6	0	0	0	0	110.9	G455 R486 R487 Y502	G455-S490 PolarHBondContact N-OG 3Å; G455-S490 VanDerWaalsContact N-OG 3.13Å; R486-S490 CarbonylContact C-O 3.57Å; R486-S490 WeakPolarHBondContact CA-O 3.36Å; R486-S490 WeakPolarHBondContact CB-O 3.21Å; R487-S490 PolarHBondContact N-O 2.79Å; R487-S490 PolarHBondContact O-N 3.42Å; S490-Y502 CarbonylContact C-O 3.53Å; S490-Y502 WeakPolarHBondContact CA-O 3.32Å
491	C	95.5	Very high	91.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	153.8	178.9	-78.3	0	0	0	0	110.6	L485 R486 Y502 C504 Q511	L485-C491 CarbonylContact O-C 3.38Å; L485-C491 VanDerWaalsContact O-CA 3.3Å; L485-C491 WeakPolarHBondContact O-CA 3.14Å; R486-C491 VanDerWaalsContact CB-SG 3.59Å; C491-Y502 PolarHBondContact N-O 3.39Å; C491-Y502 PolarHBondContact O-N 3.44Å; C491-C504 HydrophobicContact CB-CB 4.03Å; C491-C504 WeakPolarHBondContact CB-SG 3.26Å; C491-C504 PolarHBondContact N-SG 3.32Å; C491-C504 VanDerWaalsContact SG-CA 3.51Å; C491-C504 WeakPolarHBondContact SG-CB 3.45Å; C491-C504 CovalentContact SG-SG 2.04Å; C491-C504 PolarHBondContact SG-SG 3.46Å; C491-Q511 HydrophobicContact CB-CG 4.35Å
492	I	96.9	Very high	91.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.5	166	-53	-174.8	0	0	0	108	L450 V463 W477 L485 P499 M500 W513 M531	L450-I492 HydrophobicContact CD1-CD1 4.39Å; V463-I492 HydrophobicContact CG1-CD1 4.24Å; V463-I492 HydrophobicContact CG2-CD1 4.24Å; V463-I492 HydrophobicContact CG2-CG1 4.08Å; V463-I492 HydrophobicContact CG2-CG2 3.98Å; W477-I492 HydrophobicContact CE3-CD1 4Å; W477-I492 HydrophobicContact CE3-CG1 4.16Å; W477-I492 HydrophobicContact CH2-CD1 3.77Å; W477-I492 HydrophobicContact CH2-CG1 3.75Å; W477-I492 HydrophobicContact CZ2-CD1 4.43Å; W477-I492 HydrophobicContact CZ3-CD1 3.55Å; W477-I492 HydrophobicContact CZ3-CG1 3.36Å; L485-I492 HydrophobicContact CB-CB 4.16Å; L485-I492 HydrophobicContact CB-CD1 3.97Å; L485-I492 HydrophobicContact CB-CG1 4.01Å; L485-I492 HydrophobicContact CD1-CD1 4.18Å; L485-I492 PolarHBondContact O-N 3.38Å; I492-P499 HydrophobicContact CG2-CB 3.65Å; I492-M500 WeakPolarHBondContact CA-O 3.43Å; I492-W513 HydrophobicContact CB-CZ2 4.26Å; I492-W513 HydrophobicContact CG2-CH2 4.29Å; I492-W513 HydrophobicContact CG2-CZ2 3.56Å; I492-W513 PolarHBondContact O-NE1 3.36Å; I492-M531 HydrophobicContact CD1-CE 4.28Å; I492-M531 HydrophobicContact CG2-CE 4.25Å
493	D	95.9	Very high	91.9	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.011	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.5	-176.5	-167.5	-56.7	0	0	0	109.4	P499 M500 Y502 H505 N510 Q511	D493-P499 CarbonylContact O-C 3.46Å; D493-P499 WeakPolarHBondContact O-CA 3.45Å; D493-M500 HydrophobicContact CB-CE 4.45Å; D493-M500 HydrophobicContact CB-CG 4.26Å; D493-M500 PolarHBondContact N-O 3.08Å; D493-M500 WeakPolarHBondContact O-CG 3.41Å; D493-M500 PolarHBondContact O-N 2.72Å; D493-Y502 HydrophobicContact CB-CG 4.48Å; D493-H505 IonicContact OD2-NE2 3.63Å; D493-N510 CarbonylContact C-O 3.47Å; D493-N510 WeakPolarHBondContact CA-O 3.31Å; D493-N510 PolarHBondContact OD1-ND2 2.99Å; D493-N510 PolarHBondContact OD2-ND2 3.11Å; D493-Q511 HydrophobicContact CB-CG 3.98Å; D493-Q511 WeakPolarHBondContact OD2-CG 3.36Å; D493-Q511 PolarHBondContact OD2-NE2 2.99Å
494	Y	96.4	Very high	91.8	Very high	32 Å²	32	38.8 Å²	38.8	13%	0.125	20%	0.203	C	C	.	.			trans	-133.5	113.7	175.5	178.5	-111.2	0	0	0	112.3	S496 P499 N510 H524 M542	Y494-S496 VanDerWaalsContact CE2-C 3.48Å; Y494-S496 WeakPolarHBondContact CE2-O 3.49Å; Y494-S496 PolarHBondContact OH-O 2.71Å; Y494-P499 HydrophobicContact CD2-CG 4.46Å; Y494-N510 PolarHBondContact N-O 3.12Å; Y494-N510 WeakPolarHBondContact O-CB 3.41Å; Y494-H524 AromaticContact CD1-CE1 3.65Å; Y494-H524 AromaticContact CD1-CG 3.94Å; Y494-H524 AromaticContact CD1-ND1 3.45Å; Y494-H524 WeakPolarHBondContact CD1-ND1 3.18Å; Y494-H524 PolarHBondContact O-CE1 3.46Å; Y494-H524 PolarHBondContact O-NE2 2.94Å; Y494-M542 HydrophobicContact CD1-CE 4.43Å; Y494-M542 HydrophobicContact CD1-CG 4.08Å; Y494-M542 HydrophobicContact CD2-CG 3.78Å; Y494-M542 HydrophobicContact CE1-CB 4.17Å; Y494-M542 HydrophobicContact CE1-CG 3.78Å; Y494-M542 HydrophobicContact CE2-CB 4.2Å; Y494-M542 HydrophobicContact CE2-CG 3.46Å; Y494-M542 VanDerWaalsContact CE2-CG 3.46Å; Y494-M542 HydrophobicContact CG-CG 4.08Å; Y494-M542 VanDerWaalsContact CZ-CG 3.46Å
495	A	89.9	Confident	91.5	Very high	74 Å²	74	41.3 Å²	41.3	61%	0.612	22%	0.215	S	C	*	.	S	Bend	trans	-108.1	-31.6	178.7	0	0	0	0	0	114.3
496	S	79.5	Confident	91	Very high	83 Å²	83	43.7 Å²	43.7	58%	0.58	24%	0.239	S	C	*	.	S	Bend	trans	-169.9	-50.6	178.9	48.2	0	0	0	0	115.4	Y494	Y494-S496 VanDerWaalsContact CE2-C 3.48Å; Y494-S496 WeakPolarHBondContact CE2-O 3.49Å; Y494-S496 PolarHBondContact OH-O 2.71Å
497	K	83.2	Confident	90.7	Very high	174 Å²	174	49.2 Å²	49.2	76%	0.757	27%	0.27	S	S	*	.	S	Bend	trans	-89.2	-57.6	-167.4	-66.2	-173.8	178.4	-176.2	0	113.5
498	F	90.4	Very high	90.7	Very high	83 Å²	83	52.5 Å²	52.5	36%	0.364	29%	0.285	S	S	.	.	S	Bend	trans	-151.1	152.1	-176.6	46.2	-101	0	0	0	109	A462 M500	A462-F498 HydrophobicContact CB-CD2 3.43Å; A462-F498 VanDerWaalsContact CB-CD2 3.43Å; A462-F498 HydrophobicContact CB-CE2 3.68Å; A462-F498 HydrophobicContact CB-CG 4.05Å; A462-F498 HydrophobicContact CB-CZ 4.45Å; F498-M500 HydrophobicContact CD2-CB 4.15Å; F498-M500 HydrophobicContact CE2-CB 4.08Å; F498-M500 PolarHBondContact O-N 2.97Å
499	P	95.2	Very high	91.2	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	29%	0.287	C	S	.	.			trans	-59.5	132.5	170	-22.5	34.8	0	0	0	110.2	A462 V463 I492 D493 Y494 W513 M531 I540 M542	A462-P499 WeakPolarHBondContact CA-O 3.48Å; V463-P499 PolarHBondContact N-O 3.45Å; I492-P499 HydrophobicContact CG2-CB 3.65Å; D493-P499 CarbonylContact O-C 3.46Å; D493-P499 WeakPolarHBondContact O-CA 3.45Å; Y494-P499 HydrophobicContact CD2-CG 4.46Å; P499-W513 HydrophobicContact CB-CH2 4.35Å; P499-W513 HydrophobicContact CG-CH2 4.3Å; P499-M531 HydrophobicContact CB-CE 4.35Å; P499-M531 HydrophobicContact CG-CE 4.36Å; P499-I540 HydrophobicContact CG-CG2 3.96Å; P499-M542 HydrophobicContact CG-CG 4.13Å; P499-M542 HydrophobicContact CG-SD 3.61Å
500	M	95.2	Very high	91.5	Very high	34 Å²	34	50.8 Å²	50.8	17%	0.167	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157	-173.2	66.4	179.5	-161	0	0	112	N460 K461 I492 D493 F498 Y502	N460-M500 HydrophobicContact CB-SD 4.31Å; K461-M500 CarbonylContact O-C 3.49Å; K461-M500 WeakPolarHBondContact O-CA 3.26Å; K461-M500 WeakPolarHBondContact O-CB 3.38Å; I492-M500 WeakPolarHBondContact CA-O 3.43Å; D493-M500 HydrophobicContact CB-CE 4.45Å; D493-M500 HydrophobicContact CB-CG 4.26Å; D493-M500 PolarHBondContact N-O 3.08Å; D493-M500 WeakPolarHBondContact O-CG 3.41Å; D493-M500 PolarHBondContact O-N 2.72Å; F498-M500 HydrophobicContact CD2-CB 4.15Å; F498-M500 HydrophobicContact CE2-CB 4.08Å; F498-M500 PolarHBondContact O-N 2.97Å; M500-Y502 HydrophobicContact CE-CD2 3.87Å; M500-Y502 HydrophobicContact CE-CE2 4.43Å
501	I	95.6	Very high	91.7	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.5	174.2	-58.9	-60.6	0	0	0	110.2	S452 T454 K459 N460 K461 V463 W477	S452-I501 WeakPolarHBondContact OG-CG1 3.27Å; T454-I501 HydrophobicContact CG2-CD1 4.25Å; T454-I501 HydrophobicContact CG2-CG2 4.46Å; K459-I501 CarbonylContact C-O 3.56Å; K459-I501 WeakPolarHBondContact CA-O 3.31Å; N460-I501 PolarHBondContact N-O 3.29Å; K461-I501 PolarHBondContact O-N 2.86Å; V463-I501 HydrophobicContact CG2-CD1 3.69Å; V463-I501 HydrophobicContact CG2-CG1 4.17Å; W477-I501 HydrophobicContact CH2-CD1 3.72Å; W477-I501 HydrophobicContact CZ3-CD1 4.38Å
502	Y	94.2	Very high	91.7	Very high	73 Å²	73	51.9 Å²	51.9	29%	0.286	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.2	175.2	-153.8	-96.8	0	0	0	111.2	K459 N460 S490 C491 D493 M500 C504	K459-Y502 HydrophobicContact CD-CE2 4.33Å; K459-Y502 WeakPolarHBondContact CE-OH 3.22Å; K459-Y502 HydrophobicContact CG-CD2 4.11Å; K459-Y502 HydrophobicContact CG-CE2 4.23Å; K459-Y502 PolarHBondContact NZ-OH 2.93Å; N460-Y502 VanDerWaalsContact OD1-CD2 3.26Å; N460-Y502 WeakPolarHBondContact OD1-CD2 3.32Å; N460-Y502 VanDerWaalsContact OD1-CE2 3.26Å; N460-Y502 WeakPolarHBondContact OD1-CE2 3.31Å; S490-Y502 CarbonylContact C-O 3.53Å; S490-Y502 WeakPolarHBondContact CA-O 3.32Å; C491-Y502 PolarHBondContact N-O 3.39Å; C491-Y502 PolarHBondContact O-N 3.44Å; D493-Y502 HydrophobicContact CB-CG 4.48Å; M500-Y502 HydrophobicContact CE-CD2 3.87Å; M500-Y502 HydrophobicContact CE-CE2 4.43Å; Y502-C504 PolarHBondContact O-N 3.31Å
503	P	91.7	Very high	91.7	Very high	44 Å²	44	51.9 Å²	51.9	29%	0.286	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	132.3	169.2	-28.8	35.7	0	0	0	112	K459 E489 H505 Q511	K459-P503 HydrophobicContact CD-CG 4.36Å; E489-P503 WeakPolarHBondContact O-CA 3.36Å; P503-H505 PolarHBondContact O-N 2.92Å; P503-Q511 PolarHBondContact O-NE2 3.22Å
504	C	91.4	Very high	91.7	Very high	32 Å²	32	53.8 Å²	53.8	22%	0.216	30%	0.297	C	S	.	.			trans	-60.9	121.3	175	-63.6	0	0	0	0	109.5	E489 C491 Y502	E489-C504 VanDerWaalsContact C-SG 3.55Å; E489-C504 PolarHBondContact O-N 3.43Å; E489-C504 PolarHBondContact O-SG 3.37Å; C491-C504 HydrophobicContact CB-CB 4.03Å; C491-C504 WeakPolarHBondContact CB-SG 3.26Å; C491-C504 PolarHBondContact N-SG 3.32Å; C491-C504 VanDerWaalsContact SG-CA 3.51Å; C491-C504 WeakPolarHBondContact SG-CB 3.45Å; C491-C504 CovalentContact SG-SG 2.04Å; C491-C504 PolarHBondContact SG-SG 3.46Å; Y502-C504 PolarHBondContact O-N 3.31Å
505	H	88.1	Confident	91.7	Very high	59 Å²	59	53 Å²	53	27%	0.273	29%	0.294	S	S	.	.			trans	-107.3	-9.8	-177.3	53.4	50.1	0	0	0	114.1	D493 P503 L507 K508 N510 Q511	D493-H505 IonicContact OD2-NE2 3.63Å; P503-H505 PolarHBondContact O-N 2.92Å; H505-L507 HydrophobicContact CB-CG 4.31Å; H505-L507 PolarHBondContact ND1-N 2.86Å; H505-L507 WeakPolarHBondContact O-CG 3.41Å; H505-L507 PolarHBondContact O-N 2.74Å; H505-K508 PolarHBondContact CE1-O 2.78Å; H505-N510 PolarHBondContact CE1-OD1 2.72Å; H505-N510 PolarHBondContact NE2-OD1 2.71Å; H505-Q511 VanDerWaalsContact CD2-CD 3.45Å; H505-Q511 PolarHBondContact CD2-NE2 3.43Å; H505-Q511 VanDerWaalsContact CD2-NE2 3.28Å; H505-Q511 VanDerWaalsContact CE1-CD 3.41Å; H505-Q511 PolarHBondContact CE1-OE1 3.4Å; H505-Q511 PolarHBondContact ND1-OE1 3.24Å; H505-Q511 WeakPolarHBondContact NE2-CG 3.31Å; H505-Q511 PolarHBondContact NE2-NE2 3.47Å
506	G	86	Confident	91.9	Very high	51 Å²	51	52.5 Å²	52.5	53%	0.526	28%	0.281	S	S	.	.	S	Bend	trans	65.4	0.4	179.2	0	0	0	0	0	115	E484 K508	E484-G506 WeakPolarHBondContact OE1-CA 3.35Å; E484-G506 PolarHBondContact OE1-N 3.28Å; G506-K508 PolarHBondContact O-N 3.23Å
507	L	88.1	Confident	92.6	Very high	144 Å²	144	51 Å²	51	75%	0.754	26%	0.264	S	S	*	.			trans	-81.5	11.9	177.4	-54.2	179.3	0	0	0	113.7	H505 G509	H505-L507 HydrophobicContact CB-CG 4.31Å; H505-L507 PolarHBondContact ND1-N 2.86Å; H505-L507 WeakPolarHBondContact O-CG 3.41Å; H505-L507 PolarHBondContact O-N 2.74Å; L507-G509 PolarHBondContact O-N 2.63Å
508	K	89.8	Confident	93.1	Very high	99 Å²	99	48.7 Å²	48.7	43%	0.43	27%	0.265	S	S	.	.			trans	55	-122.1	-175.2	-63.4	172.7	157.8	-117.9	0	111.7	H505 G506 N510 Q511 E512	H505-K508 PolarHBondContact CE1-O 2.78Å; G506-K508 PolarHBondContact O-N 3.23Å; K508-N510 PolarHBondContact O-N 2.82Å; K508-Q511 PolarHBondContact O-N 3.25Å; K508-E512 HydrophobicContact CB-CB 4.13Å; K508-E512 HydrophobicContact CB-CG 4.37Å; K508-E512 IonicContact NZ-OE1 2.89Å; K508-E512 PolarHBondContact NZ-OE1 2.81Å
509	G	92.2	Very high	93.4	Very high	20 Å²	20	46.4 Å²	46.4	21%	0.206	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	57.4	-117.2	171.5	0	0	0	0	0	113	L507 Q511 E512	L507-G509 PolarHBondContact O-N 2.63Å; G509-Q511 PolarHBondContact O-N 2.86Å; G509-E512 PolarHBondContact O-N 3.44Å; G509-E512 VanDerWaalsContact O-N 3.13Å
510	N	94.4	Very high	93.4	Very high	50 Å²	50	49.1 Å²	49.1	27%	0.267	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-67.8	-6.9	179.1	53.8	-38.2	0	0	0	114.2	D493 Y494 H505 K508 H524	D493-N510 CarbonylContact C-O 3.47Å; D493-N510 WeakPolarHBondContact CA-O 3.31Å; D493-N510 PolarHBondContact OD1-ND2 2.99Å; D493-N510 PolarHBondContact OD2-ND2 3.11Å; Y494-N510 PolarHBondContact N-O 3.12Å; Y494-N510 WeakPolarHBondContact O-CB 3.41Å; H505-N510 PolarHBondContact CE1-OD1 2.72Å; H505-N510 PolarHBondContact NE2-OD1 2.71Å; K508-N510 PolarHBondContact O-N 2.82Å; N510-H524 WeakPolarHBondContact CA-NE2 3.36Å; N510-H524 PolarHBondContact O-NE2 2.83Å
511	Q	96	Very high	93.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-111.3	8.3	173.9	-64.7	-175.3	-5.4	0	0	113	C491 D493 P503 H505 K508 G509 W513	C491-Q511 HydrophobicContact CB-CG 4.35Å; D493-Q511 HydrophobicContact CB-CG 3.98Å; D493-Q511 WeakPolarHBondContact OD2-CG 3.36Å; D493-Q511 PolarHBondContact OD2-NE2 2.99Å; P503-Q511 PolarHBondContact O-NE2 3.22Å; H505-Q511 VanDerWaalsContact CD2-CD 3.45Å; H505-Q511 PolarHBondContact CD2-NE2 3.43Å; H505-Q511 VanDerWaalsContact CD2-NE2 3.28Å; H505-Q511 VanDerWaalsContact CE1-CD 3.41Å; H505-Q511 PolarHBondContact CE1-OE1 3.4Å; H505-Q511 PolarHBondContact ND1-OE1 3.24Å; H505-Q511 WeakPolarHBondContact NE2-CG 3.31Å; H505-Q511 PolarHBondContact NE2-NE2 3.47Å; K508-Q511 PolarHBondContact O-N 3.25Å; G509-Q511 PolarHBondContact O-N 2.86Å; Q511-W513 VanDerWaalsContact O-CD1 3.28Å
512	E	96.6	Very high	93.6	Very high	33 Å²	33	48.2 Å²	48.2	15%	0.154	27%	0.266	C	S	.	.			trans	-94.2	116.7	179.6	-162	173.6	-157.9	0	0	111.1	A483 K508 G509 V525	A483-E512 HydrophobicContact CB-CG 4.04Å; K508-E512 HydrophobicContact CB-CB 4.13Å; K508-E512 HydrophobicContact CB-CG 4.37Å; K508-E512 IonicContact NZ-OE1 2.89Å; K508-E512 PolarHBondContact NZ-OE1 2.81Å; G509-E512 PolarHBondContact O-N 3.44Å; G509-E512 VanDerWaalsContact O-N 3.13Å; E512-V525 HydrophobicContact CB-CB 4.21Å; E512-V525 HydrophobicContact CB-CG2 4.19Å; E512-V525 HydrophobicContact CG-CB 4.25Å; E512-V525 HydrophobicContact CG-CG2 3.83Å; E512-V525 WeakPolarHBondContact O-CG2 3.15Å; E512-V525 PolarHBondContact O-N 3Å
513	W	96.6	Very high	93.8	Very high	1 Å²	1	49 Å²	49	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.2	-177.5	-61.7	89	0	0	0	110.4	A483 L485 I492 P499 Q511 M522 R523 H524 M531 M542	A483-W513 WeakPolarHBondContact CB-O 3.14Å; A483-W513 PolarHBondContact O-N 2.91Å; L485-W513 HydrophobicContact CB-CG 4.43Å; L485-W513 HydrophobicContact CD1-CB 3.81Å; L485-W513 HydrophobicContact CD1-CD2 3.51Å; L485-W513 HydrophobicContact CD1-CE3 3.97Å; L485-W513 HydrophobicContact CD1-CG 3.4Å; L485-W513 VanDerWaalsContact CD1-CG 3.4Å; L485-W513 HydrophobicContact CG-CB 3.87Å; L485-W513 HydrophobicContact CG-CD2 4.35Å; L485-W513 HydrophobicContact CG-CG 3.73Å; I492-W513 HydrophobicContact CB-CZ2 4.26Å; I492-W513 HydrophobicContact CG2-CH2 4.29Å; I492-W513 HydrophobicContact CG2-CZ2 3.56Å; I492-W513 PolarHBondContact O-NE1 3.36Å; P499-W513 HydrophobicContact CB-CH2 4.35Å; P499-W513 HydrophobicContact CG-CH2 4.3Å; Q511-W513 VanDerWaalsContact O-CD1 3.28Å; W513-M522 HydrophobicContact CE3-CG 3.91Å; W513-M522 HydrophobicContact CZ3-CG 4.5Å; W513-R523 CarbonylContact C-O 3.45Å; W513-R523 WeakPolarHBondContact CA-O 3.15Å; W513-H524 HydrophobicContact CE3-CB 4.02Å; W513-H524 HydrophobicContact CH2-CB 4.11Å; W513-H524 HydrophobicContact CZ3-CB 3.74Å; W513-M531 HydrophobicContact CE3-CE 4.2Å; W513-M531 HydrophobicContact CH2-CE 3.6Å; W513-M531 HydrophobicContact CZ2-CE 4.23Å; W513-M531 HydrophobicContact CZ3-CB 4.35Å; W513-M531 HydrophobicContact CZ3-CE 3.57Å; W513-M542 HydrophobicContact CH2-CE 4.04Å; W513-M542 HydrophobicContact CH2-SD 4.15Å; W513-M542 HydrophobicContact CZ3-CE 3.82Å; W513-M542 HydrophobicContact CZ3-SD 4.29Å
514	D	95.1	Very high	94	Very high	42 Å²	42	47.1 Å²	47.1	23%	0.225	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	110.1	173	-172	39.4	0	0	0	109.5	R523 V525 R571	D514-R523 HydrophobicContact CB-CB 4.45Å; D514-R523 PolarHBondContact N-O 3.18Å; D514-R523 PolarHBondContact O-N 3.44Å; D514-R523 IonicContact OD2-CZ 3.76Å; D514-R523 IonicContact OD2-NE 3.61Å; D514-R523 IonicContact OD2-NH2 2.81Å; D514-R523 PolarHBondContact OD2-NH2 3.26Å; D514-V525 HydrophobicContact CB-CG2 3.93Å; D514-R571 IonicContact OD1-NH1 2.7Å; D514-R571 PolarHBondContact OD1-NH1 2.85Å
515	Y	96.3	Very high	94.2	Very high	16 Å²	16	48.4 Å²	48.4	6%	0.063	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.2	178.7	-178.8	-103.4	0	0	0	110.3	L479 F517 H520 L521 M522 W554 F556	L479-Y515 HydrophobicContact CD2-CD1 4.26Å; L479-Y515 HydrophobicContact CD2-CG 4.35Å; Y515-F517 AromaticContact CD1-CD1 3.9Å; Y515-F517 HydrophobicContact CD1-CD1 3.9Å; Y515-F517 AromaticContact CD1-CD2 3.95Å; Y515-F517 HydrophobicContact CD1-CD2 3.95Å; Y515-F517 AromaticContact CD1-CE1 3.71Å; Y515-F517 HydrophobicContact CD1-CE1 3.71Å; Y515-F517 AromaticContact CD1-CE2 3.76Å; Y515-F517 HydrophobicContact CD1-CE2 3.76Å; Y515-F517 HydrophobicContact CD1-CG 4.01Å; Y515-F517 AromaticContact CD1-CZ 3.63Å; Y515-F517 HydrophobicContact CD1-CZ 3.63Å; Y515-F517 AromaticContact CE1-CD1 3.58Å; Y515-F517 HydrophobicContact CE1-CD1 3.58Å; Y515-F517 HydrophobicContact CE1-CD2 4.36Å; Y515-F517 AromaticContact CE1-CE1 3.67Å; Y515-F517 HydrophobicContact CE1-CE1 3.67Å; Y515-F517 HydrophobicContact CE1-CE2 4.43Å; Y515-F517 AromaticContact CE1-CG 3.94Å; Y515-F517 HydrophobicContact CE1-CG 3.94Å; Y515-F517 HydrophobicContact CE1-CZ 4.1Å; Y515-H520 PolarHBondContact OH-ND1 2.91Å; Y515-H520 VanDerWaalsContact OH-ND1 3.09Å; Y515-L521 WeakPolarHBondContact CA-O 3.25Å; Y515-M522 HydrophobicContact CD2-CB 4.31Å; Y515-M522 HydrophobicContact CD2-CE 4.15Å; Y515-W554 WeakPolarHBondContact CE2-O 3.49Å; Y515-W554 VanDerWaalsContact CZ-O 3.29Å; Y515-W554 PolarHBondContact OH-O 2.87Å; Y515-F556 HydrophobicContact CD1-CD2 4.4Å; Y515-F556 HydrophobicContact CD1-CE2 4.3Å; Y515-F556 HydrophobicContact CD2-CE2 4.09Å; Y515-F556 AromaticContact CE1-CD2 3.96Å; Y515-F556 HydrophobicContact CE1-CD2 3.96Å; Y515-F556 HydrophobicContact CE1-CE2 4.28Å; Y515-F556 HydrophobicContact CE2-CD2 4.15Å; Y515-F556 HydrophobicContact CE2-CE2 4.08Å; Y515-F556 HydrophobicContact CG-CE2 4.2Å; Y515-F556 AromaticContact CZ-CD2 3.82Å
516	D	95.1	Very high	94.5	Very high	63 Å²	63	51.1 Å²	51.1	34%	0.337	28%	0.278	S	S	.	.			trans	-88.2	111.9	175.9	-179.1	-11.7	0	0	0	109.9	T518 T519 H520 L521	D516-T518 PolarHBondContact O-N 2.84Å; D516-T518 WeakPolarHBondContact OD1-CA 3.44Å; D516-T518 WeakPolarHBondContact OD1-CB 3.34Å; D516-T518 PolarHBondContact OD1-N 2.98Å; D516-T519 VanDerWaalsContact CB-OG1 3.31Å; D516-T519 WeakPolarHBondContact CB-OG1 3.11Å; D516-T519 PolarHBondContact OD1-N 3.33Å; D516-T519 WeakPolarHBondContact OD2-CG2 3.46Å; D516-T519 PolarHBondContact OD2-OG1 3.41Å; D516-H520 WeakPolarHBondContact O-CA 3.42Å; D516-H520 PolarHBondContact O-N 3.16Å; D516-L521 PolarHBondContact N-O 3.16Å
517	F	93.3	Very high	94.9	Very high	51 Å²	51	50.7 Å²	50.7	22%	0.224	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.2	-179.8	-69.1	-90.4	0	0	0	114.2	V434 A435 L479 Y515 H520 V559 L564	V434-F517 HydrophobicContact CG1-CE1 4.39Å; V434-F517 HydrophobicContact CG1-CE2 4.15Å; V434-F517 HydrophobicContact CG1-CZ 3.51Å; A435-F517 HydrophobicContact CB-CE1 4.36Å; L479-F517 HydrophobicContact CD2-CZ 4.01Å; Y515-F517 AromaticContact CD1-CD1 3.9Å; Y515-F517 HydrophobicContact CD1-CD1 3.9Å; Y515-F517 AromaticContact CD1-CD2 3.95Å; Y515-F517 HydrophobicContact CD1-CD2 3.95Å; Y515-F517 AromaticContact CD1-CE1 3.71Å; Y515-F517 HydrophobicContact CD1-CE1 3.71Å; Y515-F517 AromaticContact CD1-CE2 3.76Å; Y515-F517 HydrophobicContact CD1-CE2 3.76Å; Y515-F517 HydrophobicContact CD1-CG 4.01Å; Y515-F517 AromaticContact CD1-CZ 3.63Å; Y515-F517 HydrophobicContact CD1-CZ 3.63Å; Y515-F517 AromaticContact CE1-CD1 3.58Å; Y515-F517 HydrophobicContact CE1-CD1 3.58Å; Y515-F517 HydrophobicContact CE1-CD2 4.36Å; Y515-F517 AromaticContact CE1-CE1 3.67Å; Y515-F517 HydrophobicContact CE1-CE1 3.67Å; Y515-F517 HydrophobicContact CE1-CE2 4.43Å; Y515-F517 AromaticContact CE1-CG 3.94Å; Y515-F517 HydrophobicContact CE1-CG 3.94Å; Y515-F517 HydrophobicContact CE1-CZ 4.1Å; F517-H520 PolarHBondContact O-CE1 3.41Å; F517-V559 HydrophobicContact CD1-CG1 4.09Å; F517-V559 HydrophobicContact CD1-CG2 4.18Å; F517-V559 HydrophobicContact CE1-CG1 3.71Å; F517-V559 HydrophobicContact CE1-CG2 3.98Å; F517-L564 HydrophobicContact CD1-CD2 4.04Å; F517-L564 HydrophobicContact CD2-CD1 3.8Å; F517-L564 HydrophobicContact CD2-CD2 4.11Å; F517-L564 HydrophobicContact CE1-CD1 4.5Å; F517-L564 HydrophobicContact CE1-CD2 4.14Å; F517-L564 HydrophobicContact CE2-CD1 3.35Å; F517-L564 HydrophobicContact CE2-CD2 4.2Å; F517-L564 HydrophobicContact CE2-CG 4.43Å; F517-L564 HydrophobicContact CG-CD2 4.05Å; F517-L564 HydrophobicContact CZ-CD1 3.77Å; F517-L564 HydrophobicContact CZ-CD2 4.22Å
518	T	93.7	Very high	95.2	Very high	125 Å²	125	48.5 Å²	48.5	77%	0.767	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-47	178.1	-60.9	0	0	0	0	111.3	D516	D516-T518 PolarHBondContact O-N 2.84Å; D516-T518 WeakPolarHBondContact OD1-CA 3.44Å; D516-T518 WeakPolarHBondContact OD1-CB 3.34Å; D516-T518 PolarHBondContact OD1-N 2.98Å
519	T	95.9	Very high	95.6	Very high	35 Å²	35	45 Å²	45	22%	0.215	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-11.3	-179.4	61.8	0	0	0	0	113.6	D516 L521 P547	D516-T519 VanDerWaalsContact CB-OG1 3.31Å; D516-T519 WeakPolarHBondContact CB-OG1 3.11Å; D516-T519 PolarHBondContact OD1-N 3.33Å; D516-T519 WeakPolarHBondContact OD2-CG2 3.46Å; D516-T519 PolarHBondContact OD2-OG1 3.41Å; T519-L521 PolarHBondContact O-N 2.98Å; T519-L521 WeakPolarHBondContact OG1-CG 3.36Å; T519-P547 HydrophobicContact CG2-CB 4.24Å
520	H	97	Very high	95.8	Very high	59 Å²	59	44 Å²	44	27%	0.273	23%	0.234	S	C	.	.			trans	60.3	17.7	-172.6	-56.9	-55.5	0	0	0	114.4	Y515 D516 F517 Q553 W554 V555	Y515-H520 PolarHBondContact OH-ND1 2.91Å; Y515-H520 VanDerWaalsContact OH-ND1 3.09Å; D516-H520 WeakPolarHBondContact O-CA 3.42Å; D516-H520 PolarHBondContact O-N 3.16Å; F517-H520 PolarHBondContact O-CE1 3.41Å; H520-Q553 HydrophobicContact CB-CB 4.09Å; H520-Q553 HydrophobicContact CB-CG 4.44Å; H520-Q553 WeakPolarHBondContact O-CA 3.17Å; H520-W554 PolarHBondContact O-N 2.86Å; H520-V555 HydrophobicContact CB-CG2 4.27Å
521	L	97.6	Very high	96	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.084	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-75.6	138.8	175.1	-67.1	-178.1	0	0	0	110.8	Y515 D516 T519 C545 P547 Q552	Y515-L521 WeakPolarHBondContact CA-O 3.25Å; D516-L521 PolarHBondContact N-O 3.16Å; T519-L521 PolarHBondContact O-N 2.98Å; T519-L521 WeakPolarHBondContact OG1-CG 3.36Å; L521-C545 HydrophobicContact CD1-CB 4.36Å; L521-P547 HydrophobicContact CD1-CB 4.21Å; L521-P547 HydrophobicContact CD1-CG 3.98Å; L521-Q552 HydrophobicContact CD2-CB 3.74Å
522	M	96.9	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	95.8	175.5	-175.8	174.5	-74.7	0	0	108.7	V439 L485 W513 Y515 C530 M531 W554 F556	V439-M522 HydrophobicContact CG1-CE 4.1Å; L485-M522 HydrophobicContact CD1-CE 3.85Å; L485-M522 HydrophobicContact CD1-CG 3.84Å; L485-M522 HydrophobicContact CD1-SD 3.21Å; L485-M522 WeakPolarHBondContact CD1-SD 3.42Å; L485-M522 HydrophobicContact CD2-CE 3.74Å; L485-M522 HydrophobicContact CD2-SD 4.27Å; L485-M522 HydrophobicContact CG-CE 4.46Å; L485-M522 HydrophobicContact CG-SD 4.36Å; W513-M522 HydrophobicContact CE3-CG 3.91Å; W513-M522 HydrophobicContact CZ3-CG 4.5Å; Y515-M522 HydrophobicContact CD2-CB 4.31Å; Y515-M522 HydrophobicContact CD2-CE 4.15Å; M522-C530 WeakPolarHBondContact O-CA 3.35Å; M522-M531 HydrophobicContact CB-CB 4.27Å; M522-M531 HydrophobicContact CG-CB 4.35Å; M522-M531 PolarHBondContact O-N 3.42Å; M522-M531 HydrophobicContact SD-CB 4.4Å; M522-M531 HydrophobicContact SD-CE 3.69Å; M522-M531 HydrophobicContact SD-SD 3.69Å; M522-M531 VanDerWaalsContact SD-SD 3.69Å; M522-W554 HydrophobicContact CE-CB 4.2Å; M522-F556 HydrophobicContact CE-CE2 3.99Å; M522-F556 HydrophobicContact CE-CZ 4.21Å
523	R	97.1	Very high	96	Very high	90 Å²	90	41.4 Å²	41.4	34%	0.34	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.2	-172.7	-177.7	174.6	65	145.1	-6.1	110.7	W513 D514 N528	W513-R523 CarbonylContact C-O 3.45Å; W513-R523 WeakPolarHBondContact CA-O 3.15Å; D514-R523 HydrophobicContact CB-CB 4.45Å; D514-R523 PolarHBondContact N-O 3.18Å; D514-R523 PolarHBondContact O-N 3.44Å; D514-R523 IonicContact OD2-CZ 3.76Å; D514-R523 IonicContact OD2-NE 3.61Å; D514-R523 IonicContact OD2-NH2 2.81Å; D514-R523 PolarHBondContact OD2-NH2 3.26Å; R523-N528 WeakPolarHBondContact CD-OD1 3.22Å; R523-N528 PolarHBondContact NH1-OD1 2.98Å
524	H	97	Very high	95.9	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	124.7	169.4	177.3	-114.1	0	0	0	110	Y494 N510 W513 S527 N528 S529 M542	Y494-H524 AromaticContact CD1-CE1 3.65Å; Y494-H524 AromaticContact CD1-CG 3.94Å; Y494-H524 AromaticContact CD1-ND1 3.45Å; Y494-H524 WeakPolarHBondContact CD1-ND1 3.18Å; Y494-H524 PolarHBondContact O-CE1 3.46Å; Y494-H524 PolarHBondContact O-NE2 2.94Å; N510-H524 WeakPolarHBondContact CA-NE2 3.36Å; N510-H524 PolarHBondContact O-NE2 2.83Å; W513-H524 HydrophobicContact CE3-CB 4.02Å; W513-H524 HydrophobicContact CH2-CB 4.11Å; W513-H524 HydrophobicContact CZ3-CB 3.74Å; H524-S527 WeakPolarHBondContact ND1-CB 3.21Å; H524-S527 PolarHBondContact ND1-N 2.89Å; H524-S527 PolarHBondContact ND1-OG 3.09Å; H524-N528 WeakPolarHBondContact O-CA 3.08Å; H524-N528 PolarHBondContact O-N 2.85Å; H524-S529 PolarHBondContact N-O 3.08Å; H524-M542 HydrophobicContact CB-CE 3.61Å
525	V	95.3	Very high	95.7	Very high	60 Å²	60	49.3 Å²	49.3	36%	0.364	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-44.8	-167.7	173.7	0	0	0	0	112.3	E512 D514	E512-V525 HydrophobicContact CB-CB 4.21Å; E512-V525 HydrophobicContact CB-CG2 4.19Å; E512-V525 HydrophobicContact CG-CB 4.25Å; E512-V525 HydrophobicContact CG-CG2 3.83Å; E512-V525 WeakPolarHBondContact O-CG2 3.15Å; E512-V525 PolarHBondContact O-N 3Å; D514-V525 HydrophobicContact CB-CG2 3.93Å
526	I	94.3	Very high	95.3	Very high	115 Å²	115	53.6 Å²	53.6	59%	0.59	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-46.5	-177.3	-69.1	-174.5	0	0	0	112.1	N528	I526-N528 VanDerWaalsContact C-N 3.35Å
527	S	94.7	Very high	94.9	Very high	42 Å²	42	51.1 Å²	51.1	29%	0.294	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10	-174.1	71.8	0	0	0	0	113.3	H524 S529	H524-S527 WeakPolarHBondContact ND1-CB 3.21Å; H524-S527 PolarHBondContact ND1-N 2.89Å; H524-S527 PolarHBondContact ND1-OG 3.09Å; S527-S529 PolarHBondContact O-N 3.24Å; S527-S529 VanDerWaalsContact O-N 3.11Å; S527-S529 PolarHBondContact O-OG 2.93Å; S527-S529 WeakPolarHBondContact OG-CB 3.42Å; S527-S529 PolarHBondContact OG-N 2.93Å; S527-S529 PolarHBondContact OG-OG 2.93Å; S527-S529 VanDerWaalsContact OG-OG 3.13Å
528	N	95.2	Very high	94.7	Very high	99 Å²	99	52.1 Å²	52.1	53%	0.529	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	30.2	-173.5	-162.8	45.7	0	0	0	113.1	R523 H524 I526	R523-N528 WeakPolarHBondContact CD-OD1 3.22Å; R523-N528 PolarHBondContact NH1-OD1 2.98Å; H524-N528 WeakPolarHBondContact O-CA 3.08Å; H524-N528 PolarHBondContact O-N 2.85Å; I526-N528 VanDerWaalsContact C-N 3.35Å
529	S	96.6	Very high	94.6	Very high	24 Å²	24	46.6 Å²	46.6	17%	0.168	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150	-179.5	-39.7	0	0	0	0	109.8	H524 S527 M542 S543	H524-S529 PolarHBondContact N-O 3.08Å; S527-S529 PolarHBondContact O-N 3.24Å; S527-S529 VanDerWaalsContact O-N 3.11Å; S527-S529 PolarHBondContact O-OG 2.93Å; S527-S529 WeakPolarHBondContact OG-CB 3.42Å; S527-S529 PolarHBondContact OG-N 2.93Å; S527-S529 PolarHBondContact OG-OG 2.93Å; S527-S529 VanDerWaalsContact OG-OG 3.13Å; S529-M542 VanDerWaalsContact O-CE 3.32Å; S529-M542 WeakPolarHBondContact O-CE 3.38Å; S529-S543 CarbonylContact C-O 3.52Å; S529-S543 WeakPolarHBondContact CA-O 3.48Å; S529-S543 WeakPolarHBondContact CB-O 3.39Å
530	C	97.4	Very high	94.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	144.4	179.1	-76.4	0	0	0	0	111.4	M522 Q532 S543 C545	M522-C530 WeakPolarHBondContact O-CA 3.35Å; C530-Q532 PolarHBondContact O-N 3.04Å; C530-S543 PolarHBondContact N-O 3.37Å; C530-S543 PolarHBondContact O-N 2.86Å; C530-C545 HydrophobicContact CB-CB 3.96Å; C530-C545 WeakPolarHBondContact CB-SG 3.39Å; C530-C545 PolarHBondContact N-SG 2.86Å; C530-C545 WeakPolarHBondContact SG-CB 3.33Å; C530-C545 CovalentContact SG-SG 2.05Å; C530-C545 PolarHBondContact SG-SG 3.09Å
531	M	97.5	Very high	94.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	121.2	173.6	-171	-179.7	-67.4	0	0	109.5	L450 L485 I492 P499 W513 M522 I540 M542 W554	L450-M531 HydrophobicContact CD1-SD 4.26Å; L450-M531 HydrophobicContact CD2-SD 3.86Å; L485-M531 HydrophobicContact CD1-CE 4.29Å; I492-M531 HydrophobicContact CD1-CE 4.28Å; I492-M531 HydrophobicContact CG2-CE 4.25Å; P499-M531 HydrophobicContact CB-CE 4.35Å; P499-M531 HydrophobicContact CG-CE 4.36Å; W513-M531 HydrophobicContact CE3-CE 4.2Å; W513-M531 HydrophobicContact CH2-CE 3.6Å; W513-M531 HydrophobicContact CZ2-CE 4.23Å; W513-M531 HydrophobicContact CZ3-CB 4.35Å; W513-M531 HydrophobicContact CZ3-CE 3.57Å; M522-M531 HydrophobicContact CB-CB 4.27Å; M522-M531 HydrophobicContact CG-CB 4.35Å; M522-M531 PolarHBondContact O-N 3.42Å; M522-M531 HydrophobicContact SD-CB 4.4Å; M522-M531 HydrophobicContact SD-CE 3.69Å; M522-M531 HydrophobicContact SD-SD 3.69Å; M522-M531 VanDerWaalsContact SD-SD 3.69Å; M531-I540 HydrophobicContact CG-CG2 3.33Å; M531-I540 HydrophobicContact SD-CD1 4.23Å; M531-I540 HydrophobicContact SD-CG2 4.06Å; M531-M542 HydrophobicContact CB-SD 4.27Å; M531-W554 HydrophobicContact CG-CZ2 4.09Å; M531-W554 PolarHBondContact O-NE1 3Å; M531-W554 HydrophobicContact SD-CZ2 4.25Å
532	Q	97.2	Very high	94.5	Very high	28 Å²	28	45.7 Å²	45.7	13%	0.131	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133	-179.3	-172.8	177.7	-46	0	0	110.5	C530 I540 V541 S543 L551 Q552	C530-Q532 PolarHBondContact O-N 3.04Å; Q532-I540 WeakPolarHBondContact O-CA 3.41Å; Q532-V541 HydrophobicContact CB-CG2 4.11Å; Q532-V541 PolarHBondContact N-O 3.18Å; Q532-V541 PolarHBondContact O-N 2.59Å; Q532-S543 PolarHBondContact OE1-OG 3.26Å; Q532-S543 VanDerWaalsContact OE1-OG 3.08Å; Q532-L551 HydrophobicContact CG-CB 3.93Å; Q532-Q552 HydrophobicContact CB-CG 3.77Å; Q532-Q552 HydrophobicContact CG-CG 3.71Å
533	M	96.7	Very high	94.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	137.5	168	-172.2	177.6	70.3	0	0	110.3	N441 L444 Y448 V465 L551 W554	N441-M533 HydrophobicContact CB-CE 4.25Å; N441-M533 HydrophobicContact CB-SD 4.03Å; N441-M533 WeakPolarHBondContact OD1-CE 3.39Å; L444-M533 HydrophobicContact CB-CE 4.12Å; L444-M533 HydrophobicContact CD1-CE 3.57Å; L444-M533 HydrophobicContact CG-CE 3.74Å; Y448-M533 VanDerWaalsContact CB-SD 3.51Å; Y448-M533 HydrophobicContact CD2-CE 4.3Å; Y448-M533 HydrophobicContact CD2-SD 4.22Å; Y448-M533 HydrophobicContact CG-SD 3.89Å; V465-M533 HydrophobicContact CB-SD 4.29Å; V465-M533 HydrophobicContact CG1-CG 4.04Å; V465-M533 HydrophobicContact CG1-SD 4.05Å; V465-M533 HydrophobicContact CG2-CG 4.02Å; V465-M533 HydrophobicContact CG2-SD 3.99Å; M533-L551 HydrophobicContact CB-CD2 4.47Å; M533-L551 HydrophobicContact CE-CD2 3.61Å; M533-L551 PolarHBondContact N-O 3.47Å; M533-W554 HydrophobicContact CB-CH2 4.05Å; M533-W554 HydrophobicContact CB-CZ2 4.08Å
534	I	94.8	Very high	94.4	Very high	57 Å²	57	47.4 Å²	47.4	29%	0.292	27%	0.272	S	S	.	.			trans	-67.6	143.3	173.3	-55.5	172.5	0	0	0	108.9	D536 G537 S538 G539 V541	I534-D536 WeakPolarHBondContact CG2-OD1 3.45Å; I534-D536 PolarHBondContact O-N 3.18Å; I534-D536 VanDerWaalsContact O-N 3.08Å; I534-G537 PolarHBondContact O-N 3.19Å; I534-S538 WeakPolarHBondContact CD1-OG 3.45Å; I534-G539 PolarHBondContact N-O 2.97Å; I534-V541 HydrophobicContact CD1-CG1 3.84Å; I534-V541 HydrophobicContact CG1-CG1 3.8Å; I534-V541 HydrophobicContact CG1-CG2 4.27Å
535	E	90.9	Very high	94.5	Very high	151 Å²	151	49.4 Å²	49.4	71%	0.706	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.8	-173.7	-75.7	-179.5	-178.8	0	0	115.1	L444 L551	L444-E535 WeakPolarHBondContact CD1-O 3.41Å; L444-E535 WeakPolarHBondContact CD2-O 3.4Å; E535-L551 HydrophobicContact CG-CD1 3.58Å
536	D	88.2	Confident	94.5	Very high	106 Å²	106	51.4 Å²	51.4	57%	0.567	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	0.1	176.5	65.9	-6.4	0	0	0	113.5	I534 S538	I534-D536 WeakPolarHBondContact CG2-OD1 3.45Å; I534-D536 PolarHBondContact O-N 3.18Å; I534-D536 VanDerWaalsContact O-N 3.08Å; D536-S538 VanDerWaalsContact CG-OG 3.29Å; D536-S538 PolarHBondContact O-N 3.36Å; D536-S538 WeakPolarHBondContact OD1-CB 3.47Å; D536-S538 PolarHBondContact OD1-N 3.26Å; D536-S538 PolarHBondContact OD1-OG 3.31Å; D536-S538 WeakPolarHBondContact OD2-CB 2.97Å; D536-S538 PolarHBondContact OD2-OG 2.98Å
537	G	85.5	Confident	94.5	Very high	11 Å²	11	49.1 Å²	49.1	11%	0.113	28%	0.284	C	S	.	.	S	Bend	trans	70.4	15.1	-174.4	0	0	0	0	0	114.1	V465 I534 G539	V465-G537 WeakPolarHBondContact CG2-O 3.38Å; I534-G537 PolarHBondContact O-N 3.19Å; G537-G539 VanDerWaalsContact C-N 3.26Å; G537-G539 PolarHBondContact O-N 2.94Å
538	S	89.3	Confident	94.6	Very high	72 Å²	72	54.9 Å²	54.9	50%	0.503	31%	0.311	S	S	.	.	S	Bend	trans	-72.1	-16.3	-178.3	61.3	0	0	0	0	114.3	I534 D536	I534-S538 WeakPolarHBondContact CD1-OG 3.45Å; D536-S538 VanDerWaalsContact CG-OG 3.29Å; D536-S538 PolarHBondContact O-N 3.36Å; D536-S538 WeakPolarHBondContact OD1-CB 3.47Å; D536-S538 PolarHBondContact OD1-N 3.26Å; D536-S538 PolarHBondContact OD1-OG 3.31Å; D536-S538 WeakPolarHBondContact OD2-CB 2.97Å; D536-S538 PolarHBondContact OD2-OG 2.98Å
539	G	92.7	Very high	94.6	Very high	9 Å²	9	51.5 Å²	51.5	9%	0.093	29%	0.293	C	S	.	.			trans	168.6	-158.4	-179.1	0	0	0	0	0	114	I534 G537	I534-G539 PolarHBondContact N-O 2.97Å; G537-G539 VanDerWaalsContact C-N 3.26Å; G537-G539 PolarHBondContact O-N 2.94Å
540	I	95.7	Very high	94.6	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.051	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.2	-174.6	-60.8	173.5	0	0	0	109.3	L450 V463 V465 P499 M531 Q532 W554	L450-I540 HydrophobicContact CD2-CD1 3.3Å; V463-I540 HydrophobicContact CB-CD1 4.32Å; V463-I540 HydrophobicContact CG1-CD1 3.85Å; V465-I540 HydrophobicContact CG1-CD1 4.07Å; V465-I540 HydrophobicContact CG1-CG1 3.93Å; P499-I540 HydrophobicContact CG-CG2 3.96Å; M531-I540 HydrophobicContact CG-CG2 3.33Å; M531-I540 HydrophobicContact SD-CD1 4.23Å; M531-I540 HydrophobicContact SD-CG2 4.06Å; Q532-I540 WeakPolarHBondContact O-CA 3.41Å; I540-W554 HydrophobicContact CD1-CH2 4.41Å
541	V	95.1	Very high	94.6	Very high	54 Å²	54	54 Å²	54	33%	0.327	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	161.7	174.7	-64.7	0	0	0	0	110.6	Q532 I534	Q532-V541 HydrophobicContact CB-CG2 4.11Å; Q532-V541 PolarHBondContact N-O 3.18Å; Q532-V541 PolarHBondContact O-N 2.59Å; I534-V541 HydrophobicContact CD1-CG1 3.84Å; I534-V541 HydrophobicContact CG1-CG1 3.8Å; I534-V541 HydrophobicContact CG1-CG2 4.27Å
542	M	96.5	Very high	94.6	Very high	28 Å²	28	54 Å²	54	14%	0.138	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.9	173.5	-61.6	-55.6	-67.3	0	0	109.1	Y494 P499 W513 H524 S529 M531	Y494-M542 HydrophobicContact CD1-CE 4.43Å; Y494-M542 HydrophobicContact CD1-CG 4.08Å; Y494-M542 HydrophobicContact CD2-CG 3.78Å; Y494-M542 HydrophobicContact CE1-CB 4.17Å; Y494-M542 HydrophobicContact CE1-CG 3.78Å; Y494-M542 HydrophobicContact CE2-CB 4.2Å; Y494-M542 HydrophobicContact CE2-CG 3.46Å; Y494-M542 VanDerWaalsContact CE2-CG 3.46Å; Y494-M542 HydrophobicContact CG-CG 4.08Å; Y494-M542 VanDerWaalsContact CZ-CG 3.46Å; P499-M542 HydrophobicContact CG-CG 4.13Å; P499-M542 HydrophobicContact CG-SD 3.61Å; W513-M542 HydrophobicContact CH2-CE 4.04Å; W513-M542 HydrophobicContact CH2-SD 4.15Å; W513-M542 HydrophobicContact CZ3-CE 3.82Å; W513-M542 HydrophobicContact CZ3-SD 4.29Å; H524-M542 HydrophobicContact CB-CE 3.61Å; S529-M542 VanDerWaalsContact O-CE 3.32Å; S529-M542 WeakPolarHBondContact O-CE 3.38Å; M531-M542 HydrophobicContact CB-SD 4.27Å
543	S	95.7	Very high	94.7	Very high	22 Å²	22	54.8 Å²	54.8	15%	0.154	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	160.5	-174.5	-65.6	0	0	0	0	111.2	S529 C530 Q532 C545	S529-S543 CarbonylContact C-O 3.52Å; S529-S543 WeakPolarHBondContact CA-O 3.48Å; S529-S543 WeakPolarHBondContact CB-O 3.39Å; C530-S543 PolarHBondContact N-O 3.37Å; C530-S543 PolarHBondContact O-N 2.86Å; Q532-S543 PolarHBondContact OE1-OG 3.26Å; Q532-S543 VanDerWaalsContact OE1-OG 3.08Å; S543-C545 PolarHBondContact O-N 3.45Å
544	P	97	Very high	94.7	Very high	103 Å²	103	54.8 Å²	54.8	67%	0.669	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.9	136.9	166.6	-25.3	35.1	0	0	0	111.2	Q546 Q552	P544-Q546 PolarHBondContact O-N 2.62Å; P544-Q552 PolarHBondContact O-NE2 3.4Å; P544-Q552 PolarHBondContact O-OE1 3.27Å
545	C	97.4	Very high	94.8	Very high	46 Å²	46	54.1 Å²	54.1	31%	0.311	31%	0.309	S	S	.	.			trans	-67.5	126.1	-174.7	-68.2	0	0	0	0	112.3	L521 C530 S543	L521-C545 HydrophobicContact CD1-CB 4.36Å; C530-C545 HydrophobicContact CB-CB 3.96Å; C530-C545 WeakPolarHBondContact CB-SG 3.39Å; C530-C545 PolarHBondContact N-SG 2.86Å; C530-C545 WeakPolarHBondContact SG-CB 3.33Å; C530-C545 CovalentContact SG-SG 2.05Å; C530-C545 PolarHBondContact SG-SG 3.09Å; S543-C545 PolarHBondContact O-N 3.45Å
546	Q	97.2	Very high	95.1	Very high	101 Å²	101	47.4 Å²	47.4	47%	0.472	28%	0.278	S	S	.	.			trans	-130.4	99.1	-179.2	-69.6	175.4	-9.4	0	0	109.5	P544 L548 N549	P544-Q546 PolarHBondContact O-N 2.62Å; Q546-L548 PolarHBondContact O-N 2.82Å; Q546-N549 HydrophobicContact CB-CB 3.74Å; Q546-N549 WeakPolarHBondContact O-CB 3.4Å; Q546-N549 PolarHBondContact O-N 3.35Å; Q546-N549 PolarHBondContact OE1-ND2 2.94Å; Q546-N549 VanDerWaalsContact OE1-ND2 3.09Å
547	P	93.8	Very high	95.3	Very high	68 Å²	68	45.5 Å²	45.5	44%	0.442	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.9	-173.8	-26.2	33.7	0	0	0	115.3	T519 L521 Q553	T519-P547 HydrophobicContact CG2-CB 4.24Å; L521-P547 HydrophobicContact CD1-CB 4.21Å; L521-P547 HydrophobicContact CD1-CG 3.98Å; P547-Q553 PolarHBondContact O-NE2 3Å
548	L	95.5	Very high	95.6	Very high	163 Å²	163	51.3 Å²	51.3	85%	0.853	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.7	-179.2	-59.8	179.2	0	0	0	113.6	Q546 P550	Q546-L548 PolarHBondContact O-N 2.82Å; L548-P550 VanDerWaalsContact O-CD 3.28Å; L548-P550 WeakPolarHBondContact O-CD 3.1Å
549	N	96.5	Very high	95.8	Very high	28 Å²	28	50.5 Å²	50.5	15%	0.15	30%	0.297	C	S	.	.			trans	-83.3	111.6	-177.6	-175.4	-15.1	0	0	0	110.2	Q546 L551 Q552 Q553	Q546-N549 HydrophobicContact CB-CB 3.74Å; Q546-N549 WeakPolarHBondContact O-CB 3.4Å; Q546-N549 PolarHBondContact O-N 3.35Å; Q546-N549 PolarHBondContact OE1-ND2 2.94Å; Q546-N549 VanDerWaalsContact OE1-ND2 3.09Å; N549-L551 PolarHBondContact O-N 3.24Å; N549-L551 VanDerWaalsContact O-N 3.16Å; N549-L551 WeakPolarHBondContact OD1-CB 3.06Å; N549-L551 PolarHBondContact OD1-N 3.06Å; N549-Q552 HydrophobicContact CB-CB 4.4Å; N549-Q552 HydrophobicContact CB-CG 4.22Å; N549-Q552 PolarHBondContact O-N 3.09Å; N549-Q553 PolarHBondContact O-N 3.34Å
550	P	96.9	Very high	95.8	Very high	60 Å²	60	52.2 Å²	52.2	39%	0.39	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-64	-23.4	-177.4	27.5	-35.6	0	0	0	113.1	N441 Q442 G443 L548 Q552 Q553	N441-P550 PolarHBondContact OD1-O 2.84Å; Q442-P550 CarbonylContact C-O 3.43Å; Q442-P550 HydrophobicContact CB-CB 4.31Å; Q442-P550 PolarHBondContact N-O 2.99Å; G443-P550 PolarHBondContact N-O 2.9Å; L548-P550 VanDerWaalsContact O-CD 3.28Å; L548-P550 WeakPolarHBondContact O-CD 3.1Å; P550-Q552 PolarHBondContact O-N 2.85Å; P550-Q553 PolarHBondContact O-N 2.87Å
551	L	97.4	Very high	95.6	Very high	16 Å²	16	59.9 Å²	59.9	8%	0.084	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-71	-16.6	175.3	-61.7	166.1	0	0	0	113	N441 L444 Q532 M533 E535 N549	N441-L551 PolarHBondContact ND2-O 3.27Å; L444-L551 HydrophobicContact CG-CD2 4.44Å; Q532-L551 HydrophobicContact CG-CB 3.93Å; M533-L551 HydrophobicContact CB-CD2 4.47Å; M533-L551 HydrophobicContact CE-CD2 3.61Å; M533-L551 PolarHBondContact N-O 3.47Å; E535-L551 HydrophobicContact CG-CD1 3.58Å; N549-L551 PolarHBondContact O-N 3.24Å; N549-L551 VanDerWaalsContact O-N 3.16Å; N549-L551 WeakPolarHBondContact OD1-CB 3.06Å; N549-L551 PolarHBondContact OD1-N 3.06Å
552	Q	97.6	Very high	95.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-100.6	-4.3	174.9	-63.5	-168.9	10.5	0	0	113.3	L521 Q532 P544 N549 P550 W554	L521-Q552 HydrophobicContact CD2-CB 3.74Å; Q532-Q552 HydrophobicContact CB-CG 3.77Å; Q532-Q552 HydrophobicContact CG-CG 3.71Å; P544-Q552 PolarHBondContact O-NE2 3.4Å; P544-Q552 PolarHBondContact O-OE1 3.27Å; N549-Q552 HydrophobicContact CB-CB 4.4Å; N549-Q552 HydrophobicContact CB-CG 4.22Å; N549-Q552 PolarHBondContact O-N 3.09Å; P550-Q552 PolarHBondContact O-N 2.85Å; Q552-W554 VanDerWaalsContact O-CD1 3.27Å
553	Q	98	Very high	95	Very high	46 Å²	46	62.4 Å²	62.4	22%	0.215	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-93.4	117.7	-179.7	-68.4	179.4	-5.6	0	0	110.2	N441 Q442 H520 P547 N549 P550	N441-Q553 CarbonylContact C-O 3.6Å; N441-Q553 WeakPolarHBondContact CA-O 3.31Å; Q442-Q553 HydrophobicContact CB-CB 3.88Å; Q442-Q553 HydrophobicContact CG-CB 3.7Å; Q442-Q553 PolarHBondContact N-O 2.78Å; H520-Q553 HydrophobicContact CB-CB 4.09Å; H520-Q553 HydrophobicContact CB-CG 4.44Å; H520-Q553 WeakPolarHBondContact O-CA 3.17Å; P547-Q553 PolarHBondContact O-NE2 3Å; N549-Q553 PolarHBondContact O-N 3.34Å; P550-Q553 PolarHBondContact O-N 2.87Å
554	W	97.8	Very high	94.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123	-178.2	-61.6	93.1	0	0	0	110.2	V439 N441 L450 V465 Y515 H520 M522 M531 M533 I540 Q552	V439-W554 HydrophobicContact CG1-CB 3.79Å; V439-W554 HydrophobicContact CG1-CD2 4.49Å; V439-W554 HydrophobicContact CG1-CE3 4.06Å; V439-W554 HydrophobicContact CG1-CG 4.44Å; N441-W554 HydrophobicContact CB-CD2 4.47Å; N441-W554 HydrophobicContact CB-CE3 3.82Å; N441-W554 HydrophobicContact CB-CH2 4.03Å; N441-W554 HydrophobicContact CB-CZ3 3.59Å; N441-W554 VanDerWaalsContact ND2-CE2 3.28Å; N441-W554 WeakPolarHBondContact ND2-CH2 3.16Å; N441-W554 WeakPolarHBondContact ND2-CZ2 3.35Å; L450-W554 HydrophobicContact CD2-CE3 4.04Å; L450-W554 HydrophobicContact CD2-CH2 3.57Å; L450-W554 HydrophobicContact CD2-CZ2 4.24Å; L450-W554 HydrophobicContact CD2-CZ3 3.45Å; L450-W554 VanDerWaalsContact CD2-CZ3 3.45Å; L450-W554 HydrophobicContact CG-CE3 3.88Å; L450-W554 HydrophobicContact CG-CH2 4.3Å; L450-W554 HydrophobicContact CG-CZ3 3.66Å; V465-W554 HydrophobicContact CG1-CH2 3.68Å; V465-W554 HydrophobicContact CG1-CZ3 4.13Å; Y515-W554 WeakPolarHBondContact CE2-O 3.49Å; Y515-W554 VanDerWaalsContact CZ-O 3.29Å; Y515-W554 PolarHBondContact OH-O 2.87Å; H520-W554 PolarHBondContact O-N 2.86Å; M522-W554 HydrophobicContact CE-CB 4.2Å; M531-W554 HydrophobicContact CG-CZ2 4.09Å; M531-W554 PolarHBondContact O-NE1 3Å; M531-W554 HydrophobicContact SD-CZ2 4.25Å; M533-W554 HydrophobicContact CB-CH2 4.05Å; M533-W554 HydrophobicContact CB-CZ2 4.08Å; I540-W554 HydrophobicContact CD1-CH2 4.41Å; Q552-W554 VanDerWaalsContact O-CD1 3.27Å
555	V	97.2	Very high	94.5	Very high	43 Å²	43	59.9 Å²	59.9	26%	0.261	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.4	-176.6	178.4	0	0	0	0	109.9	V439 R440 Q442 H520	V439-V555 WeakPolarHBondContact CA-O 3.41Å; R440-V555 PolarHBondContact N-O 2.97Å; R440-V555 PolarHBondContact O-N 2.99Å; Q442-V555 HydrophobicContact CG-CG2 3.94Å; Q442-V555 VanDerWaalsContact NE2-CG2 3.25Å; H520-V555 HydrophobicContact CB-CG2 4.27Å
556	F	95.9	Very high	94.1	Very high	10 Å²	10	62.5 Å²	62.5	4%	0.044	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	141	171.9	-79.1	-93.4	0	0	0	111.3	A435 E438 V439 L479 L485 Y515 M522 K558	A435-F556 HydrophobicContact CB-CB 3.82Å; A435-F556 HydrophobicContact CB-CD1 3.66Å; A435-F556 HydrophobicContact CB-CD2 3.92Å; A435-F556 HydrophobicContact CB-CE1 4.16Å; A435-F556 HydrophobicContact CB-CE2 4.39Å; A435-F556 HydrophobicContact CB-CG 3.52Å; E438-F556 CarbonylContact O-C 3.53Å; E438-F556 WeakPolarHBondContact O-CA 3.37Å; V439-F556 HydrophobicContact CG2-CD1 3.57Å; V439-F556 HydrophobicContact CG2-CE1 3.39Å; V439-F556 HydrophobicContact CG2-CE2 4.37Å; V439-F556 HydrophobicContact CG2-CG 4.14Å; V439-F556 HydrophobicContact CG2-CZ 3.82Å; L479-F556 HydrophobicContact CB-CE1 4.23Å; L479-F556 HydrophobicContact CB-CZ 3.93Å; L485-F556 HydrophobicContact CD2-CE2 4.49Å; L485-F556 HydrophobicContact CD2-CZ 3.71Å; Y515-F556 HydrophobicContact CD1-CD2 4.4Å; Y515-F556 HydrophobicContact CD1-CE2 4.3Å; Y515-F556 HydrophobicContact CD2-CE2 4.09Å; Y515-F556 AromaticContact CE1-CD2 3.96Å; Y515-F556 HydrophobicContact CE1-CD2 3.96Å; Y515-F556 HydrophobicContact CE1-CE2 4.28Å; Y515-F556 HydrophobicContact CE2-CD2 4.15Å; Y515-F556 HydrophobicContact CE2-CE2 4.08Å; Y515-F556 HydrophobicContact CG-CE2 4.2Å; Y515-F556 AromaticContact CZ-CD2 3.82Å; M522-F556 HydrophobicContact CE-CE2 3.99Å; M522-F556 HydrophobicContact CE-CZ 4.21Å; F556-K558 VanDerWaalsContact C-N 3.29Å; F556-K558 PolarHBondContact O-N 3.31Å
557	G	92.1	Very high	93.5	Very high	65 Å²	65	58.5 Å²	58.5	67%	0.67	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	-31.5	177.4	0	0	0	0	0	114	E438	E438-G557 PolarHBondContact O-N 3.16Å
558	K	92.5	Very high	93.1	Very high	133 Å²	133	61.7 Å²	61.7	58%	0.578	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.8	138.7	177	-172.5	178.2	-180	179.7	0	111.6	A435 L436 F556	A435-K558 CarbonylContact C-O 3.57Å; A435-K558 VanDerWaalsContact CA-O 3.26Å; A435-K558 WeakPolarHBondContact CA-O 3.27Å; L436-K558 HydrophobicContact CD1-CB 3.97Å; L436-K558 HydrophobicContact CD1-CD 4.04Å; L436-K558 HydrophobicContact CG-CB 4.37Å; L436-K558 PolarHBondContact N-O 3.03Å; L436-K558 PolarHBondContact O-N 3.36Å; F556-K558 VanDerWaalsContact C-N 3.29Å; F556-K558 PolarHBondContact O-N 3.31Å
559	V	93.7	Very high	92.3	Very high	56 Å²	56	61.3 Å²	61.3	34%	0.339	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.5	172.5	-179.5	0	0	0	0	109.4	A435 F517 K561 L564	A435-V559 HydrophobicContact CB-CG2 4.29Å; F517-V559 HydrophobicContact CD1-CG1 4.09Å; F517-V559 HydrophobicContact CD1-CG2 4.18Å; F517-V559 HydrophobicContact CE1-CG1 3.71Å; F517-V559 HydrophobicContact CE1-CG2 3.98Å; V559-K561 PolarHBondContact O-N 2.86Å; V559-L564 HydrophobicContact CG1-CD2 3.99Å
560	N	92.5	Very high	91.3	Very high	44 Å²	44	66.1 Å²	66.1	24%	0.235	36%	0.359	C	S	.	.			trans	-87	98	172.8	-172.7	-22.9	0	0	0	109	G431 S433 V434 D562 V563 L564	G431-N560 PolarHBondContact O-ND2 3.28Å; S433-N560 VanDerWaalsContact O-CB 3.27Å; S433-N560 WeakPolarHBondContact O-CB 3.33Å; V434-N560 PolarHBondContact O-N 3.46Å; N560-D562 VanDerWaalsContact C-N 3.3Å; N560-D562 PolarHBondContact O-N 2.91Å; N560-D562 PolarHBondContact OD1-N 2.04Å; N560-V563 HydrophobicContact CB-CB 4.12Å; N560-V563 HydrophobicContact CB-CG2 4.35Å; N560-V563 WeakPolarHBondContact ND2-CG2 3.3Å; N560-V563 PolarHBondContact O-N 3.27Å; N560-V563 PolarHBondContact OD1-N 2.9Å; N560-L564 VanDerWaalsContact O-CB 3.31Å; N560-L564 WeakPolarHBondContact O-CB 3.49Å; N560-L564 PolarHBondContact O-N 3.5Å
561	K	91.5	Very high	89.7	Confident	171 Å²	171	72 Å²	72	74%	0.743	37%	0.374	S	S	*	.	H	α-helix	trans	-62	-36.2	-175.3	-67.4	-175.2	179.3	-179.7	0	112.8	V559 L564 A565	V559-K561 PolarHBondContact O-N 2.86Å; K561-L564 PolarHBondContact O-N 3.4Å; K561-A565 WeakPolarHBondContact O-CB 3.39Å; K561-A565 PolarHBondContact O-N 3.26Å
562	D	90.9	Very high	89.3	Confident	126 Å²	126	74.9 Å²	74.9	67%	0.674	39%	0.388	S	S	*	.	H	α-helix	trans	-69.4	-46	-178.2	-57.9	-31.1	0	0	0	110.7	N560 A565 L566	N560-D562 VanDerWaalsContact C-N 3.3Å; N560-D562 PolarHBondContact O-N 2.91Å; N560-D562 PolarHBondContact OD1-N 2.04Å; D562-A565 PolarHBondContact O-N 3.18Å; D562-L566 WeakPolarHBondContact O-CG 3.28Å; D562-L566 PolarHBondContact O-N 3.02Å; D562-L566 VanDerWaalsContact O-N 3.09Å
563	V	89.1	Confident	88.9	Confident	10 Å²	10	78.8 Å²	78.8	6%	0.061	41%	0.409	C	S	.	.	H	α-helix	trans	-65.3	-40.9	175.5	173.6	0	0	0	0	111.1	V434 K481 N560 A565 L566 V567	V434-V563 HydrophobicContact CB-CG1 4.48Å; V434-V563 HydrophobicContact CG2-CG1 3.98Å; K481-V563 HydrophobicContact CD-CG1 4.32Å; K481-V563 HydrophobicContact CG-CG1 3.93Å; N560-V563 HydrophobicContact CB-CB 4.12Å; N560-V563 HydrophobicContact CB-CG2 4.35Å; N560-V563 WeakPolarHBondContact ND2-CG2 3.3Å; N560-V563 PolarHBondContact O-N 3.27Å; N560-V563 PolarHBondContact OD1-N 2.9Å; V563-A565 VanDerWaalsContact C-N 3.31Å; V563-A565 PolarHBondContact O-N 3.28Å; V563-L566 PolarHBondContact O-N 2.92Å; V563-V567 HydrophobicContact CG1-CG2 4.35Å; V563-V567 WeakPolarHBondContact O-CG2 3.49Å; V563-V567 PolarHBondContact O-N 2.88Å
564	L	90.6	Very high	88.4	Confident	25 Å²	25	80.6 Å²	80.6	13%	0.131	42%	0.42	C	S	.	.	H	α-helix	trans	-60.1	-41.7	176	178.9	58.6	0	0	0	111.9	V434 F517 V559 N560 K561 V567 K568	V434-L564 HydrophobicContact CG1-CB 3.92Å; V434-L564 HydrophobicContact CG1-CD1 3.67Å; V434-L564 HydrophobicContact CG1-CG 4.34Å; F517-L564 HydrophobicContact CD1-CD2 4.04Å; F517-L564 HydrophobicContact CD2-CD1 3.8Å; F517-L564 HydrophobicContact CD2-CD2 4.11Å; F517-L564 HydrophobicContact CE1-CD1 4.5Å; F517-L564 HydrophobicContact CE1-CD2 4.14Å; F517-L564 HydrophobicContact CE2-CD1 3.35Å; F517-L564 HydrophobicContact CE2-CD2 4.2Å; F517-L564 HydrophobicContact CE2-CG 4.43Å; F517-L564 HydrophobicContact CG-CD2 4.05Å; F517-L564 HydrophobicContact CZ-CD1 3.77Å; F517-L564 HydrophobicContact CZ-CD2 4.22Å; V559-L564 HydrophobicContact CG1-CD2 3.99Å; N560-L564 VanDerWaalsContact O-CB 3.31Å; N560-L564 WeakPolarHBondContact O-CB 3.49Å; N560-L564 PolarHBondContact O-N 3.5Å; K561-L564 PolarHBondContact O-N 3.4Å; L564-V567 PolarHBondContact O-N 3.23Å; L564-K568 HydrophobicContact CD1-CD 4.46Å; L564-K568 HydrophobicContact CD1-CG 4.38Å; L564-K568 HydrophobicContact CG-CD 4.47Å; L564-K568 WeakPolarHBondContact O-CG 3.34Å; L564-K568 PolarHBondContact O-N 3.29Å
565	A	90.3	Very high	87.8	Confident	47 Å²	47	85.4 Å²	85.4	39%	0.388	44%	0.444	S	S	.	.	H	α-helix	trans	-62.7	-42.7	176	0	0	0	0	0	111.7	K561 D562 V563 K568 Q569	K561-A565 WeakPolarHBondContact O-CB 3.39Å; K561-A565 PolarHBondContact O-N 3.26Å; D562-A565 PolarHBondContact O-N 3.18Å; V563-A565 VanDerWaalsContact C-N 3.31Å; V563-A565 PolarHBondContact O-N 3.28Å; A565-K568 PolarHBondContact O-N 3.27Å; A565-Q569 WeakPolarHBondContact O-CG 3.42Å; A565-Q569 PolarHBondContact O-N 3.27Å
566	L	88.4	Confident	87.2	Confident	101 Å²	101	88 Å²	88	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-62.7	-46.2	177.2	-70.4	169.6	0	0	0	112.2	D562 V563 K568 Q569 T570	D562-L566 WeakPolarHBondContact O-CG 3.28Å; D562-L566 PolarHBondContact O-N 3.02Å; D562-L566 VanDerWaalsContact O-N 3.09Å; V563-L566 PolarHBondContact O-N 2.92Å; L566-K568 VanDerWaalsContact C-N 3.31Å; L566-K568 PolarHBondContact O-N 3.08Å; L566-Q569 WeakPolarHBondContact O-CB 3.42Å; L566-Q569 PolarHBondContact O-N 2.89Å; L566-Q569 VanDerWaalsContact O-N 3.08Å; L566-T570 PolarHBondContact O-N 3.2Å; L566-T570 PolarHBondContact O-OG1 2.82Å
567	V	85.5	Confident	86.7	Confident	17 Å²	17	93.2 Å²	93.2	10%	0.103	48%	0.483	C	S	.	.	H	α-helix	trans	-63.6	-37.3	179.2	172.8	0	0	0	0	111.4	V434 K481 V563 L564 Q569 T570 R571	V434-V567 HydrophobicContact CG2-CG2 4.04Å; K481-V567 HydrophobicContact CB-CG2 3.94Å; K481-V567 HydrophobicContact CG-CG2 3.89Å; V563-V567 HydrophobicContact CG1-CG2 4.35Å; V563-V567 WeakPolarHBondContact O-CG2 3.49Å; V563-V567 PolarHBondContact O-N 2.88Å; L564-V567 PolarHBondContact O-N 3.23Å; V567-Q569 PolarHBondContact O-N 3.09Å; V567-T570 PolarHBondContact O-N 3.49Å; V567-R571 PolarHBondContact O-N 3.32Å
568	K	85.4	Confident	86.3	Confident	135 Å²	135	95.2 Å²	95.2	59%	0.587	47%	0.47	S	S	*	.	H	α-helix	trans	-67.2	-22	174.9	-76	-177.2	177.5	-172.2	0	113.9	L564 A565 L566	L564-K568 HydrophobicContact CD1-CD 4.46Å; L564-K568 HydrophobicContact CD1-CG 4.38Å; L564-K568 HydrophobicContact CG-CD 4.47Å; L564-K568 WeakPolarHBondContact O-CG 3.34Å; L564-K568 PolarHBondContact O-N 3.29Å; A565-K568 PolarHBondContact O-N 3.27Å; L566-K568 VanDerWaalsContact C-N 3.31Å; L566-K568 PolarHBondContact O-N 3.08Å
569	Q	78.9	Confident	85.8	Confident	154 Å²	154	92.3 Å²	92.3	72%	0.72	46%	0.462	S	S	*	.	H	α-helix	trans	-85.8	-23.7	175.5	-70.7	172.8	4.5	0	0	112.7	A565 L566 V567	A565-Q569 WeakPolarHBondContact O-CG 3.42Å; A565-Q569 PolarHBondContact O-N 3.27Å; L566-Q569 WeakPolarHBondContact O-CB 3.42Å; L566-Q569 PolarHBondContact O-N 2.89Å; L566-Q569 VanDerWaalsContact O-N 3.08Å; V567-Q569 PolarHBondContact O-N 3.09Å
570	T	75	Confident	85.2	Confident	129 Å²	129	95.3 Å²	95.3	79%	0.791	47%	0.472	S	S	*	.	H	α-helix	trans	-90.4	-18.2	-179.6	-1.4	0	0	0	0	113.6	L566 V567	L566-T570 PolarHBondContact O-N 3.2Å; L566-T570 PolarHBondContact O-OG1 2.82Å; V567-T570 PolarHBondContact O-N 3.49Å
571	R	63.8	Low	84.5	Confident	185 Å²	185	100 Å²	100	70%	0.698	49%	0.493	S	S	*	.			trans	-91.4	0	171.3	-70	-177.1	179.4	-163.2	-0.4	110.2	A483 D514 V567	A483-R571 VanDerWaalsContact CB-NH2 3.32Å; D514-R571 IonicContact OD1-NH1 2.7Å; D514-R571 PolarHBondContact OD1-NH1 2.85Å; V567-R571 PolarHBondContact O-N 3.32Å

Retrieved 571 of 571 residues in 1321.5 ms (Link to these results)

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