A0A077ZQ78_TRITR Loading...

PRCC domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZQ78, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 611 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31.7	Very low	27.9	Very low	248 Å²	248	175.2 Å²	175.2	100%	1.222	89%	0.885	S	S	*	*				0	120.8	0	-85.1	177.5	169.2	0	0	108.1
2	H	29.1	Very low	27.9	Very low	192 Å²	192	172 Å²	172	89%	0.889	87%	0.87	S	S	*	*			trans	-60.5	134	-175.9	-77.7	-76.5	0	0	0	113
3	R	32.2	Very low	27.8	Very low	254 Å²	254	173.8 Å²	173.8	96%	0.958	87%	0.869	S	S	*	*			trans	-122.9	109.9	143.1	-85.1	-170.7	176.4	-173.5	-0.4	107
4	G	28.4	Very low	27.5	Very low	70 Å²	70	174.1 Å²	174.1	72%	0.722	87%	0.874	S	S	*	*			trans	-76.2	142.4	-175.9	0	0	0	0	0	112.2
5	C	24.8	Very low	27.7	Very low	130 Å²	130	167 Å²	167	88%	0.878	86%	0.861	S	S	*	*			trans	-69.2	123.9	160.4	-64.9	0	0	0	0	108.9
6	S	29.7	Very low	27.6	Very low	113 Å²	113	169.1 Å²	169.1	79%	0.79	87%	0.866	S	S	*	*			trans	-92.2	109.3	165.5	59.8	0	0	0	0	109.2
7	L	23.6	Very low	27.7	Very low	166 Å²	166	165.7 Å²	165.7	87%	0.869	86%	0.861	S	S	*	*			trans	-81.2	101.5	161.6	-103.9	130.6	0	0	0	108.3
8	R	27.6	Very low	27.6	Very low	230 Å²	230	165.6 Å²	165.6	87%	0.868	86%	0.862	S	S	*	*			trans	-165.7	113.7	162.9	-92.8	-177.1	-176.5	-157.9	-1.4	102.1
9	E	31.1	Very low	27.7	Very low	195 Å²	195	164.3 Å²	164.3	91%	0.911	86%	0.861	S	S	*	*				-149	123.5	56.8	-76.3	157	161.6	0	0	109.4
10	L	22.2	Very low	27.5	Very low	160 Å²	160	164.6 Å²	164.6	84%	0.838	86%	0.858	S	S	*	*			trans	-108.3	125.7	158.6	-119.3	140.6	0	0	0	103.4
11	E	26.3	Very low	27.4	Very low	169 Å²	169	162.4 Å²	162.4	79%	0.79	85%	0.852	S	S	*	*			trans	142.4	136.5	148.9	-80.4	-179.1	173.4	0	0	114.5
12	I	27.8	Very low	27.4	Very low	137 Å²	137	158.3 Å²	158.3	70%	0.703	84%	0.835	S	S	*	*			trans	87.2	97.4	157.8	-53.6	139.2	0	0	0	116.6
13	F	27.1	Very low	27.2	Very low	195 Å²	195	160.4 Å²	160.4	86%	0.855	84%	0.835	S	S	*	*				-165.3	102.4	104.1	-116.5	-84.9	0	0	0	109.8
14	L	23.9	Very low	27.2	Very low	179 Å²	179	156.2 Å²	156.2	94%	0.937	83%	0.832	S	S	*	*			trans	-87.3	112	156.2	-76.2	166.7	0	0	0	105.9
15	G	29.9	Very low	27.1	Very low	67 Å²	67	160.9 Å²	160.9	69%	0.691	84%	0.84	S	S	*	*			trans	-125.2	98.7	172.7	0	0	0	0	0	108.8
16	E	25.6	Very low	27.4	Very low	200 Å²	200	157.8 Å²	157.8	94%	0.935	83%	0.83	S	S	*	*			trans	-66.8	131.9	162.7	-71.1	172.5	151.6	0	0	109.2
17	S	29.3	Very low	27.4	Very low	112 Å²	112	158.9 Å²	158.9	78%	0.783	83%	0.832	S	S	*	*			trans	-156.7	105.8	151	62.6	0	0	0	0	109.5
18	D	25.7	Very low	27.7	Very low	164 Å²	164	158.4 Å²	158.4	88%	0.877	83%	0.831	S	S	*	*			trans	-60.5	124.3	162.6	-68	-51.1	0	0	0	110.2
19	V	30.5	Very low	27.8	Very low	140 Å²	140	154 Å²	154	85%	0.848	83%	0.829	S	S	*	*			trans	-138	113.8	152.3	-179.8	0	0	0	0	108.3
20	E	24.3	Very low	27.7	Very low	170 Å²	170	150.6 Å²	150.6	79%	0.794	82%	0.822	S	S	*	*			trans	-65.8	158.9	171.6	-110.5	176.4	158.2	0	0	113
21	T	25	Very low	28	Very low	120 Å²	120	147.2 Å²	147.2	74%	0.736	82%	0.817	S	S	*	*			trans	68	109.9	156.4	56.4	0	0	0	0	118.4
22	D	30.4	Very low	28	Very low	161 Å²	161	147 Å²	147	86%	0.861	82%	0.82	S	S	*	*				-168	144.9	88.9	-113.5	-28.4	0	0	0	112.4
23	R	25.6	Very low	27.9	Very low	236 Å²	236	149.3 Å²	149.3	89%	0.891	83%	0.828	S	S	*	*			trans	-79.3	129.9	172.3	-75.5	172	170	166.3	-2.8	108.3
24	D	31.8	Very low	28	Very low	166 Å²	166	145.9 Å²	145.9	89%	0.888	82%	0.823	S	S	*	*			trans	-148	133	147.2	-116.6	-20.9	0	0	0	112.9	G26	D24-G26 PolarHBondContact O-N 2.78Å
25	N	27.7	Very low	28.3	Very low	169 Å²	169	144.2 Å²	144.2	90%	0.904	82%	0.815	S	S	*	*			trans	-73.6	106.7	-179.4	-79.4	-41	0	0	0	109.8
26	G	30.8	Very low	28	Very low	64 Å²	64	150.7 Å²	150.7	66%	0.66	83%	0.825	S	S	*	*			trans	-114	95.1	171.9	0	0	0	0	0	111.9	D24 N28	D24-G26 PolarHBondContact O-N 2.78Å; G26-N28 PolarHBondContact O-N 3.39Å; G26-N28 VanDerWaalsContact O-N 3.14Å
27	T	29.2	Very low	28.2	Very low	137 Å²	137	150 Å²	150	84%	0.84	82%	0.819	S	S	*	*			trans	-66.9	100.8	164.5	38.3	0	0	0	0	109.7	T29	T27-T29 PolarHBondContact O-N 3.49Å
28	N	29.3	Very low	28.1	Very low	156 Å²	156	147.9 Å²	147.9	83%	0.834	82%	0.815	S	S	*	*			trans	-83.9	93.2	173.4	-89.1	-20.2	0	0	0	110.6	G26	G26-N28 PolarHBondContact O-N 3.39Å; G26-N28 VanDerWaalsContact O-N 3.14Å
29	T	29.4	Very low	28.1	Very low	136 Å²	136	150.3 Å²	150.3	83%	0.834	82%	0.818	S	S	*	*			trans	-81.9	103.8	155.7	42.1	0	0	0	0	108.2	T27 A31	T27-T29 PolarHBondContact O-N 3.49Å; T29-A31 PolarHBondContact O-N 3.08Å
30	V	29	Very low	28	Very low	125 Å²	125	150.8 Å²	150.8	76%	0.758	81%	0.814	S	S	*	*			trans	-77.6	105.8	174.1	177.5	0	0	0	0	108.2
31	A	29.6	Very low	28	Very low	89 Å²	89	149.6 Å²	149.6	74%	0.736	81%	0.813	S	S	*	*			trans	-78.2	122.2	166.3	0	0	0	0	0	108.6	T29 E33	T29-A31 PolarHBondContact O-N 3.08Å; A31-E33 PolarHBondContact O-N 3.17Å
32	L	26.4	Very low	28.1	Very low	165 Å²	165	152 Å²	152	86%	0.864	82%	0.816	S	S	*	*			trans	-75.1	101.3	171.8	-81.8	151.3	0	0	0	108.4	T34	L32-T34 PolarHBondContact O-N 3Å
33	E	26.4	Very low	28.1	Very low	184 Å²	184	150.3 Å²	150.3	86%	0.86	81%	0.812	S	S	*	*			trans	-73.5	118.7	165	-82.9	-178.1	149.4	0	0	109.3	A31 D35	A31-E33 PolarHBondContact O-N 3.17Å; E33-D35 PolarHBondContact O-N 3.03Å
34	T	28.8	Very low	28.2	Very low	123 Å²	123	146.2 Å²	146.2	76%	0.755	81%	0.807	S	S	*	*			trans	-80.1	105	173.2	44.7	0	0	0	0	109.4	L32 F36	L32-T34 PolarHBondContact O-N 3Å; T34-F36 PolarHBondContact O-N 2.99Å
35	D	29.4	Very low	27.8	Very low	145 Å²	145	144.8 Å²	144.8	78%	0.775	81%	0.805	S	S	*	*			trans	-72.4	114	171.8	-88.7	-31.8	0	0	0	111.2	E33 F37	E33-D35 PolarHBondContact O-N 3.03Å; D35-F37 PolarHBondContact O-N 3.47Å
36	F	24.8	Very low	27.9	Very low	202 Å²	202	142.3 Å²	142.3	89%	0.886	80%	0.8	S	S	*	*			trans	-68.1	105.1	170.7	-110.1	-105	0	0	0	110	T34	T34-F36 PolarHBondContact O-N 2.99Å
37	F	29.8	Very low	27.7	Very low	187 Å²	187	146.3 Å²	146.3	82%	0.82	81%	0.812	S	S	*	*			trans	-96.8	108.8	160.6	-90.7	-84.6	0	0	0	109.7	D35 F39	D35-F37 PolarHBondContact O-N 3.47Å; F37-F39 PolarHBondContact O-N 3.46Å
38	G	25.8	Very low	27.6	Very low	67 Å²	67	143 Å²	143	69%	0.691	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-61.9	124.8	175	0	0	0	0	0	111.5
39	F	26.9	Very low	27.5	Very low	215 Å²	215	143.5 Å²	143.5	94%	0.943	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-86.7	126.3	167.8	-117	-93.9	0	0	0	109.3	F37	F37-F39 PolarHBondContact O-N 3.46Å
40	I	27.9	Very low	27.3	Very low	150 Å²	150	140.6 Å²	140.6	77%	0.769	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.9	136.1	-179.9	-71.1	170.1	0	0	0	109.8
41	D	23.6	Very low	27.2	Very low	145 Å²	145	141.6 Å²	141.6	78%	0.775	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.4	119.9	179	-164.8	7.4	0	0	0	111.8
42	H	28	Very low	27	Very low	169 Å²	169	143.3 Å²	143.3	78%	0.782	82%	0.819	S	S	*	*			trans	-167.8	105.8	159.2	-89.3	-52.3	0	0	0	109.2
43	T	29.5	Very low	27	Very low	127 Å²	127	139.7 Å²	139.7	78%	0.779	81%	0.812	S	S	*	*				-179	111.7	129.5	40.4	0	0	0	0	110.7
44	D	28.5	Very low	26.9	Very low	149 Å²	149	136.8 Å²	136.8	80%	0.797	81%	0.812	S	S	*	*			trans	49	105.8	133.1	-63.2	-23.5	0	0	0	120.5	S46	D44-S46 PolarHBondContact O-N 3.47Å
45	T	23.6	Very low	26.9	Very low	137 Å²	137	137.5 Å²	137.5	84%	0.84	82%	0.816	S	S	*	*			trans	-28.1	119	137.8	47.8	0	0	0	0	115.2
46	S	30	Very low	26.7	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	81%	0.812	S	S	*	*			trans	-154	120.9	133.4	74.1	0	0	0	0	111.6	D44	D44-S46 PolarHBondContact O-N 3.47Å
47	T	26.2	Very low	26.7	Very low	148 Å²	148	131.2 Å²	131.2	91%	0.908	81%	0.809	S	S	*	*			trans	-59.9	149	172.5	47.7	0	0	0	0	114.1
48	G	26.7	Very low	26.5	Very low	69 Å²	69	127.9 Å²	127.9	71%	0.711	81%	0.808	S	S	*	*			trans	150.7	101.3	145.1	0	0	0	0	0	117.8
49	N	27.9	Very low	26.4	Very low	166 Å²	166	133.4 Å²	133.4	89%	0.888	82%	0.818	S	S	*	*			trans	62.6	91.2	145.5	-67.8	-8.3	0	0	0	119.9
50	G	23.7	Very low	26.7	Very low	74 Å²	74	128.4 Å²	128.4	76%	0.763	81%	0.807	S	S	*	*				52.5	101.3	100.1	0	0	0	0	0	117.9
51	T	28.2	Very low	26.9	Very low	146 Å²	146	127.8 Å²	127.8	90%	0.896	81%	0.81	S	S	*	*			trans	-147.3	111.7	132.6	21.6	0	0	0	0	108.5	A53	T51-A53 PolarHBondContact O-N 3.46Å
52	S	24.4	Very low	27.1	Very low	126 Å²	126	125.5 Å²	125.5	88%	0.881	81%	0.805	S	S	*	*			trans	-72.9	114.8	173.8	50.9	0	0	0	0	109.9
53	A	27.1	Very low	27.1	Very low	88 Å²	88	125.3 Å²	125.3	73%	0.727	81%	0.809	S	S	*	*			trans	-122.4	102.3	161.5	0	0	0	0	0	107.6	T51 V55	T51-A53 PolarHBondContact O-N 3.46Å; A53-V55 PolarHBondContact O-N 2.84Å
54	S	24.5	Very low	27	Very low	123 Å²	123	123.9 Å²	123.9	86%	0.86	80%	0.803	S	S	*	*			trans	-65.3	105.7	172.2	52.4	0	0	0	0	109.5
55	V	27.7	Very low	26.9	Very low	139 Å²	139	127.6 Å²	127.6	84%	0.842	81%	0.807	S	S	*	*			trans	-99.1	104.9	166	-176	0	0	0	0	106.8	A53 S57	A53-V55 PolarHBondContact O-N 2.84Å; V55-S57 PolarHBondContact O-N 3.43Å
56	S	26.4	Very low	27	Very low	96 Å²	96	128.3 Å²	128.3	67%	0.671	81%	0.805	S	S	*	*			trans	-63.3	129.6	179	57.8	0	0	0	0	110.5	C58	S56-C58 PolarHBondContact O-N 3.36Å
57	S	23.5	Very low	26.9	Very low	118 Å²	118	127.2 Å²	127.2	83%	0.825	80%	0.804	S	S	*	*			trans	-56.5	113	165	55.6	0	0	0	0	110.8	V55	V55-S57 PolarHBondContact O-N 3.43Å
58	C	25.5	Very low	26.9	Very low	118 Å²	118	126.5 Å²	126.5	80%	0.797	80%	0.799	S	S	*	*			trans	-121.3	93.6	159.6	-71.2	0	0	0	0	108.2	S56	S56-C58 PolarHBondContact O-N 3.36Å
59	M	24.1	Very low	26.8	Very low	183 Å²	183	127.5 Å²	127.5	90%	0.901	80%	0.795	S	S	*	*			trans	-102.2	161.2	143	-69.9	-146	-176.3	0	0	106.5
60	P	34.2	Very low	26.6	Very low	110 Å²	110	125.3 Å²	125.3	71%	0.714	79%	0.791	S	S	*	*			cis	-127.4	170.9	-5.8	37.6	-21.9	0	0	0	111.6
61	T	31.5	Very low	26.8	Very low	137 Å²	137	128.8 Å²	128.8	84%	0.84	79%	0.792	S	S	*	*			trans	-171.9	136.6	136	17.3	0	0	0	0	111.3
62	S	29	Very low	26.7	Very low	97 Å²	97	130.7 Å²	130.7	68%	0.678	79%	0.791	S	S	*	*			trans	-39.5	134.3	173.9	45.1	0	0	0	0	115.2	C64	S62-C64 PolarHBondContact O-N 2.81Å
63	I	27.2	Very low	26.9	Very low	165 Å²	165	129.6 Å²	129.6	85%	0.846	79%	0.79	S	S	*	*			trans	-62.9	109.2	165.6	-66.6	165.8	0	0	0	108
64	C	27.3	Very low	27	Very low	97 Å²	97	134.5 Å²	134.5	66%	0.655	80%	0.798	S	S	*	*			trans	-74.2	132.1	169.4	-70.3	0	0	0	0	109.1	S62 D66	S62-C64 PolarHBondContact O-N 2.81Å; C64-D66 PolarHBondContact O-N 2.83Å
65	Y	25.3	Very low	27	Very low	227 Å²	227	132.5 Å²	132.5	89%	0.89	80%	0.796	S	S	*	*			trans	-69.2	108	164.7	-81.2	-95	0	0	0	108.1	A67	Y65-A67 PolarHBondContact O-N 3.24Å
66	D	27.4	Very low	27	Very low	151 Å²	151	130.9 Å²	130.9	81%	0.807	80%	0.798	S	S	*	*			trans	-69.7	102.3	167.5	-78.4	-29.8	0	0	0	108.4	C64 V68	C64-D66 PolarHBondContact O-N 2.83Å; D66-V68 PolarHBondContact O-N 3.45Å; D66-V68 VanDerWaalsContact O-N 3.13Å
67	A	27.1	Very low	26.8	Very low	94 Å²	94	132 Å²	132	78%	0.777	81%	0.805	S	S	*	*			trans	-62.9	109.7	164.4	0	0	0	0	0	107.8	Y65 S69	Y65-A67 PolarHBondContact O-N 3.24Å; A67-S69 PolarHBondContact O-N 2.86Å
68	V	26.3	Very low	27.1	Very low	133 Å²	133	133.3 Å²	133.3	81%	0.806	81%	0.808	S	S	*	*			trans	-61.7	98.3	173.7	177.7	0	0	0	0	108.2	D66 C70	D66-V68 PolarHBondContact O-N 3.45Å; D66-V68 VanDerWaalsContact O-N 3.13Å; V68-C70 PolarHBondContact O-N 3.09Å
69	S	23.6	Very low	27	Very low	90 Å²	90	132.2 Å²	132.2	63%	0.629	80%	0.801	S	S	*	*			trans	-72.9	112.3	168.9	63.2	0	0	0	0	108.4	A67 N71	A67-S69 PolarHBondContact O-N 2.86Å; S69-N71 PolarHBondContact O-N 3.09Å
70	C	24.6	Very low	27	Very low	119 Å²	119	128.2 Å²	128.2	80%	0.804	79%	0.792	S	S	*	*			trans	-62.2	102.8	168	-66.2	0	0	0	0	108.4	V68 E72	V68-C70 PolarHBondContact O-N 3.09Å; C70-E72 PolarHBondContact O-N 3.01Å
71	N	27.6	Very low	26.6	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	79%	0.792	S	S	*	*			trans	-68.2	120.8	170.5	-87	-24.1	0	0	0	109	S69 A73	S69-N71 PolarHBondContact O-N 3.09Å; N71-A73 PolarHBondContact O-N 3.42Å
72	E	26.1	Very low	26.5	Very low	186 Å²	186	130.1 Å²	130.1	87%	0.869	79%	0.79	S	S	*	*			trans	-55.9	113.6	167.4	-66.9	175.8	148.3	0	0	108.9	C70 E74	C70-E72 PolarHBondContact O-N 3.01Å; E72-E74 PolarHBondContact O-N 2.85Å
73	A	29	Very low	26.2	Very low	103 Å²	103	133.9 Å²	133.9	85%	0.851	80%	0.795	S	S	*	*			trans	-78.5	107.7	169.8	0	0	0	0	0	108.4	N71	N71-A73 PolarHBondContact O-N 3.42Å
74	E	28.4	Very low	26.2	Very low	191 Å²	191	132.6 Å²	132.6	89%	0.893	80%	0.795	S	S	*	*			trans	-59.7	136.5	172.6	-68.9	-178.6	143.2	0	0	112.5	E72	E72-E74 PolarHBondContact O-N 2.85Å
75	G	24.9	Very low	26	Very low	80 Å²	80	136 Å²	136	83%	0.825	80%	0.801	S	S	*	*			trans	15.7	114.8	151.7	0	0	0	0	0	120.8
76	A	28.2	Very low	26.1	Very low	106 Å²	106	131.8 Å²	131.8	88%	0.876	80%	0.799	S	S	*	*			trans	-137.9	108.2	143.5	0	0	0	0	0	109.9
77	S	22.8	Very low	25.9	Very low	118 Å²	118	130.2 Å²	130.2	83%	0.825	80%	0.795	S	S	*	*			trans	-71.2	129.6	173.1	50.7	0	0	0	0	111.9
78	V	29.1	Very low	25.9	Very low	146 Å²	146	135.4 Å²	135.4	89%	0.885	80%	0.8	S	S	*	*			trans	-140.8	139.9	151.4	-175.1	0	0	0	0	109.7
79	S	23.3	Very low	25.9	Very low	95 Å²	95	134.5 Å²	134.5	66%	0.664	80%	0.8	S	S	*	*			trans	-85.3	153.6	-158.1	57.4	0	0	0	0	116.5
80	S	23.7	Very low	26.2	Very low	100 Å²	100	133.7 Å²	133.7	70%	0.699	81%	0.806	S	S	*	*			trans	55.5	119.1	136.3	68.3	0	0	0	0	119.7
81	S	25.8	Very low	26.2	Very low	102 Å²	102	138 Å²	138	71%	0.713	81%	0.814	S	S	*	*				164	153.8	93.9	51.4	0	0	0	0	112.6
82	F	29	Very low	26.2	Very low	185 Å²	185	133.9 Å²	133.9	81%	0.811	81%	0.807	S	S	*	*			trans	87.2	83.8	168.9	-68.6	-82.7	0	0	0	120.5
83	F	22.4	Very low	26.3	Very low	176 Å²	176	130.7 Å²	130.7	77%	0.772	81%	0.805	S	S	*	*				30.1	116.7	120.1	-87.6	-97.5	0	0	0	119.1
84	T	28	Very low	26.3	Very low	138 Å²	138	133.2 Å²	133.2	85%	0.847	80%	0.802	S	S	*	*				-167.1	128	96	6.8	0	0	0	0	110.6
85	Q	23.3	Very low	26.4	Very low	169 Å²	169	129.2 Å²	129.2	79%	0.79	79%	0.793	S	S	*	*			trans	-70.2	132.4	175.5	-71.5	169.5	-28.2	0	0	110.2
86	T	26.4	Very low	26.4	Very low	138 Å²	138	131.8 Å²	131.8	85%	0.847	80%	0.797	S	S	*	*			trans	-128	103.8	145.1	-41.4	0	0	0	0	107.7
87	T	24.3	Very low	26.5	Very low	117 Å²	117	135.6 Å²	135.6	72%	0.718	80%	0.797	S	S	*	*			trans	-65.9	121.7	171.4	40.9	0	0	0	0	110
88	F	26.9	Very low	26.9	Very low	203 Å²	203	136.2 Å²	136.2	89%	0.89	80%	0.801	S	S	*	*			trans	-128.6	107.8	150.3	-128.8	-92.9	0	0	0	108.8
89	S	26.4	Very low	26.9	Very low	114 Å²	114	132.3 Å²	132.3	80%	0.797	79%	0.79	S	S	*	*			trans	-71.7	126.5	172.5	48.6	0	0	0	0	110.1
90	G	29.3	Very low	27.2	Very low	74 Å²	74	132.9 Å²	132.9	76%	0.763	79%	0.794	S	S	*	*			trans	-171.8	71	173.4	0	0	0	0	0	110.6	G92	G90-G92 PolarHBondContact O-N 3.46Å
91	Q	25.7	Very low	27.6	Very low	209 Å²	209	134.1 Å²	134.1	98%	0.977	80%	0.8	S	S	*	*			trans	-64.7	108	166.4	-81.2	175.2	-38.5	0	0	108.8
92	G	27.7	Very low	27.8	Very low	61 Å²	61	138.3 Å²	138.3	63%	0.629	81%	0.805	S	S	*	*			trans	-139.4	90.4	167.3	0	0	0	0	0	108.3	G90 I94	G90-G92 PolarHBondContact O-N 3.46Å; G92-I94 PolarHBondContact O-N 2.78Å; G92-I94 VanDerWaalsContact O-N 3.12Å
93	S	27.7	Very low	28	Very low	119 Å²	119	134.2 Å²	134.2	83%	0.832	80%	0.797	S	S	*	*			trans	-61.6	105.3	170.5	48.2	0	0	0	0	109.3
94	I	28.7	Very low	28.2	Very low	156 Å²	156	137.5 Å²	137.5	80%	0.8	80%	0.804	S	S	*	*			trans	-86	119.3	170.6	-59.1	177.5	0	0	0	107.1	G92	G92-I94 PolarHBondContact O-N 2.78Å; G92-I94 VanDerWaalsContact O-N 3.12Å
95	P	30.7	Very low	28.2	Very low	107 Å²	107	140.5 Å²	140.5	70%	0.695	80%	0.802	S	S	*	*			trans	-66	137.5	-179.6	-13.1	27	0	0	0	110.8	E97	P95-E97 VanDerWaalsContact C-N 3.31Å; P95-E97 PolarHBondContact O-N 3.46Å
96	C	25.8	Very low	28.6	Very low	134 Å²	134	137.7 Å²	137.7	91%	0.905	80%	0.798	S	S	*	*			trans	-68.7	87.3	167.7	-61.1	0	0	0	0	109.2	S98	C96-S98 PolarHBondContact O-N 3.39Å
97	E	28.5	Very low	28.6	Very low	187 Å²	187	139.8 Å²	139.8	87%	0.874	80%	0.796	S	S	*	*			trans	-73.5	110.1	167.5	-99.6	-177.5	175.6	0	0	109.6	P95 G99	P95-E97 VanDerWaalsContact C-N 3.31Å; P95-E97 PolarHBondContact O-N 3.46Å; E97-G99 PolarHBondContact O-N 2.83Å
98	S	31.5	Very low	28.8	Very low	131 Å²	131	143.5 Å²	143.5	92%	0.916	81%	0.805	S	S	*	*			trans	-64.3	78	167.4	54.7	0	0	0	0	110.4	C96	C96-S98 PolarHBondContact O-N 3.39Å
99	G	30	Very low	28.9	Very low	63 Å²	63	144.4 Å²	144.4	65%	0.649	80%	0.804	S	S	*	*			trans	-113.8	113	168.8	0	0	0	0	0	109.3	E97	E97-G99 PolarHBondContact O-N 2.83Å
100	S	30.4	Very low	29.1	Very low	107 Å²	107	141.7 Å²	141.7	75%	0.748	80%	0.795	S	S	*	*			trans	-51.4	140.2	173.1	39.3	0	0	0	0	111.1	K102	S100-K102 PolarHBondContact O-N 3.25Å
101	P	31.9	Very low	29.3	Very low	127 Å²	127	144.2 Å²	144.2	83%	0.825	80%	0.797	S	S	*	*			trans	-65.9	104.2	-172	25.6	-32.2	0	0	0	109.6	P103	P101-P103 WeakPolarHBondContact O-CD 3.44Å
102	K	30.1	Very low	29.5	Very low	189 Å²	189	139.9 Å²	139.9	82%	0.822	79%	0.79	S	S	*	*			trans	-67.1	120.9	165.9	-83.6	-174.2	177.1	180	0	107.7	S100 R104	S100-K102 PolarHBondContact O-N 3.25Å; K102-R104 PolarHBondContact O-N 3.31Å; K102-R104 VanDerWaalsContact O-N 3.12Å
103	P	31.5	Very low	29.5	Very low	100 Å²	100	147 Å²	147	65%	0.649	80%	0.798	S	S	*	*			trans	-61.9	118	177.6	23.6	-30.4	0	0	0	108.8	P101 Y105	P101-P103 WeakPolarHBondContact O-CD 3.44Å; P103-Y105 VanDerWaalsContact C-N 3.29Å; P103-Y105 HydrophobicContact CB-CD2 4.01Å; P103-Y105 HydrophobicContact CB-CE2 3.92Å; P103-Y105 HydrophobicContact CG-CD2 4.31Å; P103-Y105 HydrophobicContact CG-CE2 4.25Å; P103-Y105 PolarHBondContact O-N 2.89Å
104	R	28.3	Very low	29.4	Very low	244 Å²	244	150.3 Å²	150.3	92%	0.921	80%	0.8	S	S	*	*			trans	-66.8	91.6	169	-76.6	-176.3	-178.6	179	1.1	107.7	K102 P106	K102-R104 PolarHBondContact O-N 3.31Å; K102-R104 VanDerWaalsContact O-N 3.12Å; R104-P106 VanDerWaalsContact O-CD 3.29Å; R104-P106 WeakPolarHBondContact O-CD 3.23Å
105	Y	28.2	Very low	29.4	Very low	201 Å²	201	149.8 Å²	149.8	79%	0.788	79%	0.794	S	S	*	*			trans	-92.7	100.7	156	-76.7	-80.4	0	0	0	107.2	P103 F107	P103-Y105 VanDerWaalsContact C-N 3.29Å; P103-Y105 HydrophobicContact CB-CD2 4.01Å; P103-Y105 HydrophobicContact CB-CE2 3.92Å; P103-Y105 HydrophobicContact CG-CD2 4.31Å; P103-Y105 HydrophobicContact CG-CE2 4.25Å; P103-Y105 PolarHBondContact O-N 2.89Å; Y105-F107 PolarHBondContact O-N 2.86Å; Y105-F107 VanDerWaalsContact O-N 3.17Å
106	P	31	Very low	29.3	Very low	110 Å²	110	150.5 Å²	150.5	71%	0.714	80%	0.797	S	S	*	*			trans	-80.4	94.7	168.6	31.6	-25.3	0	0	0	106.2	R104	R104-P106 VanDerWaalsContact O-CD 3.29Å; R104-P106 WeakPolarHBondContact O-CD 3.23Å
107	F	27	Very low	29.3	Very low	182 Å²	182	153.3 Å²	153.3	80%	0.798	79%	0.794	S	S	*	*			trans	172.9	72.1	152.8	-88.2	-63.8	0	0	0	106.8	Y105 Y109	Y105-F107 PolarHBondContact O-N 2.86Å; Y105-F107 VanDerWaalsContact O-N 3.17Å; F107-Y109 PolarHBondContact O-N 3.45Å
108	E	27.3	Very low	29.3	Very low	195 Å²	195	152.7 Å²	152.7	91%	0.911	79%	0.791	S	S	*	*			trans	-66.4	111.5	158.5	-80.8	-178	165.8	0	0	107.1	G110	E108-G110 PolarHBondContact O-N 2.88Å
109	Y	29.5	Very low	29.3	Very low	222 Å²	222	150.2 Å²	150.2	87%	0.871	79%	0.786	S	S	*	*			trans	-65.9	98.6	169.7	-79.9	-95.2	0	0	0	107.8	F107	F107-Y109 PolarHBondContact O-N 3.45Å
110	G	29.8	Very low	29.5	Very low	58 Å²	58	153.6 Å²	153.6	60%	0.598	79%	0.789	S	S	*	*			trans	-56.6	152.7	168.7	0	0	0	0	0	111.1	E108	E108-G110 PolarHBondContact O-N 2.88Å
111	P	33.6	Very low	30.1	Very low	126 Å²	126	153.9 Å²	153.9	82%	0.818	79%	0.791	S	S	*	*			trans	-60.2	143	-169.8	23.7	-32.3	0	0	0	111.7	R113	P111-R113 PolarHBondContact O-N 3.4Å
112	S	30.1	Very low	31.1	Very low	118 Å²	118	154 Å²	154	83%	0.825	78%	0.784	S	S	*	*			trans	-47.8	92.3	178.2	48.9	0	0	0	0	111.7	E114	S112-E114 PolarHBondContact O-N 2.79Å; S112-E114 VanDerWaalsContact O-N 3.11Å
113	R	27.5	Very low	32.7	Very low	212 Å²	212	148.6 Å²	148.6	80%	0.8	78%	0.775	S	S	*	*			trans	-75	100.8	166.8	-110.8	-179.5	175.8	-179.9	-0.4	106.9	P111 Q115	P111-R113 PolarHBondContact O-N 3.4Å; R113-Q115 HydrophobicContact CB-CG 4.5Å; R113-Q115 PolarHBondContact O-N 3.47Å
114	E	27.1	Very low	34.1	Very low	187 Å²	187	148.3 Å²	148.3	87%	0.874	77%	0.768	S	S	*	*			trans	-59	75.8	158.1	-70.5	178.8	161.3	0	0	108.3	S112 T116	S112-E114 PolarHBondContact O-N 2.79Å; S112-E114 VanDerWaalsContact O-N 3.11Å; E114-T116 PolarHBondContact O-N 2.87Å; E114-T116 VanDerWaalsContact O-N 3.15Å
115	Q	27.9	Very low	36.6	Very low	145 Å²	145	140.4 Å²	140.4	68%	0.678	75%	0.747	S	S	*	*			trans	-77.7	101.9	166.6	-85.7	-175.1	-16.9	0	0	107.3	R113 F117	R113-Q115 HydrophobicContact CB-CG 4.5Å; R113-Q115 PolarHBondContact O-N 3.47Å; Q115-F117 PolarHBondContact O-N 3.45Å
116	T	27.6	Very low	38.9	Very low	122 Å²	122	135.4 Å²	135.4	75%	0.748	73%	0.734	S	S	*	*			trans	-41.9	109.9	162.7	-20.6	0	0	0	0	108	E114 Q118	E114-T116 PolarHBondContact O-N 2.87Å; E114-T116 VanDerWaalsContact O-N 3.15Å; T116-Q118 PolarHBondContact O-N 2.82Å
117	F	26.4	Very low	41.2	Very low	193 Å²	193	137.1 Å²	137.1	85%	0.846	73%	0.732	S	S	*	*			trans	-71.1	78	-177.3	-126.1	-96.3	0	0	0	108.9	Q115	Q115-F117 PolarHBondContact O-N 3.45Å
118	Q	29.7	Very low	43.8	Very low	174 Å²	174	133 Å²	133	81%	0.813	72%	0.716	S	S	*	*			trans	-96.6	105.3	170.5	-78.8	-171.8	-23.1	0	0	109	T116	T116-Q118 PolarHBondContact O-N 2.82Å
119	G	30.9	Very low	46	Very low	79 Å²	79	124.6 Å²	124.6	81%	0.814	68%	0.679	S	S	*	*			trans	83.4	25.5	140.6	0	0	0	0	0	119.8
120	L	33.7	Very low	48.4	Very low	134 Å²	134	117.5 Å²	117.5	70%	0.702	65%	0.651	S	S	*	*			trans	-96.9	96.3	164.9	-91.7	134.4	0	0	0	110	N122	L120-N122 PolarHBondContact O-N 2.85Å
121	S	43.4	Very low	50.8	Low	113 Å²	113	119.8 Å²	119.8	79%	0.79	65%	0.649	S	S	*	*			trans	-62.8	88	161.2	58	0	0	0	0	108.2	A123	S121-A123 PolarHBondContact O-N 3.49Å
122	N	51.7	Low	52.9	Low	129 Å²	129	116.9 Å²	116.9	69%	0.69	63%	0.627	S	S	*	*			trans	-73.6	52	175.1	-75.7	-18	0	0	0	110.8	L120 L124	L120-N122 PolarHBondContact O-N 2.85Å; N122-L124 PolarHBondContact O-N 2.91Å; N122-L124 VanDerWaalsContact O-N 3.17Å
123	A	64.2	Low	55.1	Low	76 Å²	76	113 Å²	113	63%	0.628	60%	0.597	S	S	*	*			trans	-67.2	113.4	167.5	0	0	0	0	0	107.1	S121 T125	S121-A123 PolarHBondContact O-N 3.49Å; A123-T125 PolarHBondContact O-N 3.03Å
124	L	61.9	Low	57.5	Low	94 Å²	94	104.3 Å²	104.3	49%	0.492	57%	0.568	S	S	.	*			trans	-57.3	132.7	168.2	-86.7	149.4	0	0	0	108.1	N122 Q128 L132	N122-L124 PolarHBondContact O-N 2.91Å; N122-L124 VanDerWaalsContact O-N 3.17Å; L124-Q128 HydrophobicContact CD2-CB 3.53Å; L124-Q128 HydrophobicContact CD2-CG 4.43Å; L124-L132 HydrophobicContact CD1-CD1 4.33Å; L124-L132 HydrophobicContact CD2-CD1 4Å
125	T	80.8	Confident	59.9	Low	79 Å²	79	101.2 Å²	101.2	49%	0.485	55%	0.552	S	S	.	*			trans	-66.9	151.2	169.5	58	0	0	0	0	109.9	A123 E127 Q128 A129	A123-T125 PolarHBondContact O-N 3.03Å; T125-E127 PolarHBondContact O-N 3.38Å; T125-Q128 WeakPolarHBondContact O-CB 3.47Å; T125-Q128 PolarHBondContact O-N 2.8Å; T125-Q128 VanDerWaalsContact OG1-CD 3.31Å; T125-Q128 VanDerWaalsContact OG1-CG 3.24Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.46Å; T125-Q128 PolarHBondContact OG1-N 3.34Å; T125-Q128 PolarHBondContact OG1-OE1 2.91Å; T125-A129 PolarHBondContact O-N 3.05Å
126	D	76	Confident	61.7	Low	96 Å²	96	97.9 Å²	97.9	51%	0.513	54%	0.535	S	S	.	.	H	α-helix	trans	-52.5	-32.4	176.5	-74.2	5.4	0	0	0	112.7	R130 I151	D126-R130 WeakPolarHBondContact O-CB 3.17Å; D126-R130 WeakPolarHBondContact O-CG 3.35Å; D126-R130 PolarHBondContact O-N 2.85Å; D126-I151 WeakPolarHBondContact O-CD1 3.3Å
127	E	80	Confident	63.6	Low	145 Å²	145	96.4 Å²	96.4	68%	0.678	52%	0.52	S	S	*	.	H	α-helix	trans	-73	-40.2	178.4	-169.5	158.1	-167.8	0	0	112.5	T125 A129 R130 N131	T125-E127 PolarHBondContact O-N 3.38Å; E127-A129 VanDerWaalsContact C-N 3.34Å; E127-R130 PolarHBondContact O-N 3.31Å; E127-N131 PolarHBondContact O-N 3.13Å; E127-N131 PolarHBondContact O-ND2 3.46Å
128	Q	80.1	Confident	65.8	Low	97 Å²	97	87.6 Å²	87.6	45%	0.453	48%	0.482	S	S	.	.	H	α-helix	trans	-64.6	-41.3	171.3	-70.9	167.8	-41.9	0	0	111.2	L124 T125 N131 L132	L124-Q128 HydrophobicContact CD2-CB 3.53Å; L124-Q128 HydrophobicContact CD2-CG 4.43Å; T125-Q128 WeakPolarHBondContact O-CB 3.47Å; T125-Q128 PolarHBondContact O-N 2.8Å; T125-Q128 VanDerWaalsContact OG1-CD 3.31Å; T125-Q128 VanDerWaalsContact OG1-CG 3.24Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.46Å; T125-Q128 PolarHBondContact OG1-N 3.34Å; T125-Q128 PolarHBondContact OG1-OE1 2.91Å; Q128-N131 PolarHBondContact O-N 3.38Å; Q128-L132 VanDerWaalsContact O-CG 3.31Å; Q128-L132 WeakPolarHBondContact O-CG 3.48Å; Q128-L132 PolarHBondContact O-N 3.46Å
129	A	74.3	Confident	68	Low	18 Å²	18	84.7 Å²	84.7	15%	0.149	47%	0.469	C	S	.	.	H	α-helix	trans	-62.8	-45.4	175.7	0	0	0	0	0	111.4	T125 E127 N131 L132 I133 I151	T125-A129 PolarHBondContact O-N 3.05Å; E127-A129 VanDerWaalsContact C-N 3.34Å; A129-N131 PolarHBondContact O-N 2.81Å; A129-L132 PolarHBondContact O-N 2.84Å; A129-I133 VanDerWaalsContact O-CG1 3.24Å; A129-I133 WeakPolarHBondContact O-CG1 3.43Å; A129-I133 PolarHBondContact O-N 2.87Å; A129-I151 HydrophobicContact CB-CD1 3.64Å; A129-I151 HydrophobicContact CB-CG2 4.42Å
130	R	79.2	Confident	70	Confident	72 Å²	72	85 Å²	85	27%	0.272	46%	0.456	S	S	.	.	H	α-helix	trans	-55.9	-46.4	173.2	-87.5	-175.6	156.2	79	-6.6	112.5	D126 E127 L132 I133 S134 E147 L149 I151	D126-R130 WeakPolarHBondContact O-CB 3.17Å; D126-R130 WeakPolarHBondContact O-CG 3.35Å; D126-R130 PolarHBondContact O-N 2.85Å; E127-R130 PolarHBondContact O-N 3.31Å; R130-L132 VanDerWaalsContact C-N 3.31Å; R130-L132 PolarHBondContact O-N 2.9Å; R130-I133 PolarHBondContact O-N 2.82Å; R130-S134 WeakPolarHBondContact O-CB 3.45Å; R130-S134 PolarHBondContact O-N 2.96Å; R130-E147 PolarHBondContact NH2-O 3.48Å; R130-L149 PolarHBondContact NH1-O 3.35Å; R130-L149 PolarHBondContact NH2-O 3.42Å; R130-I151 HydrophobicContact CB-CD1 4.43Å; R130-I151 HydrophobicContact CG-CD1 3.72Å
131	N	81.7	Confident	71.6	Confident	106 Å²	106	85.5 Å²	85.5	57%	0.567	45%	0.453	S	S	*	.	H	α-helix	trans	-63.3	-38.5	179.5	-78.1	-28.9	0	0	0	112	E127 Q128 A129 K135	E127-N131 PolarHBondContact O-N 3.13Å; E127-N131 PolarHBondContact O-ND2 3.46Å; Q128-N131 PolarHBondContact O-N 3.38Å; A129-N131 PolarHBondContact O-N 2.81Å; N131-K135 WeakPolarHBondContact O-CB 3.22Å; N131-K135 PolarHBondContact O-N 3.24Å
132	L	76.3	Confident	72.9	Confident	66 Å²	66	83.7 Å²	83.7	35%	0.346	45%	0.452	S	S	.	.	H	α-helix	trans	-66.7	-46.1	174.3	-67.5	170.6	0	0	0	111.2	L124 Q128 A129 R130 S134 K135 F136	L124-L132 HydrophobicContact CD1-CD1 4.33Å; L124-L132 HydrophobicContact CD2-CD1 4Å; Q128-L132 VanDerWaalsContact O-CG 3.31Å; Q128-L132 WeakPolarHBondContact O-CG 3.48Å; Q128-L132 PolarHBondContact O-N 3.46Å; A129-L132 PolarHBondContact O-N 2.84Å; R130-L132 VanDerWaalsContact C-N 3.31Å; R130-L132 PolarHBondContact O-N 2.9Å; L132-S134 VanDerWaalsContact C-N 3.34Å; L132-S134 PolarHBondContact O-N 3.05Å; L132-K135 PolarHBondContact O-N 2.86Å; L132-F136 HydrophobicContact CB-CD2 4.37Å; L132-F136 HydrophobicContact CD2-CD2 4.18Å; L132-F136 HydrophobicContact CD2-CE2 3.7Å; L132-F136 WeakPolarHBondContact O-CB 3.28Å; L132-F136 WeakPolarHBondContact O-CD2 3.32Å; L132-F136 PolarHBondContact O-N 3.47Å
133	I	76.9	Confident	74	Confident	37 Å²	37	86.6 Å²	86.6	19%	0.19	45%	0.454	C	S	.	.	H	α-helix	trans	-63.4	-40.9	178.2	-59.4	161.6	0	0	0	110.5	A129 R130 F136 E137 A138 L145 I151	A129-I133 VanDerWaalsContact O-CG1 3.24Å; A129-I133 WeakPolarHBondContact O-CG1 3.43Å; A129-I133 PolarHBondContact O-N 2.87Å; R130-I133 PolarHBondContact O-N 2.82Å; I133-F136 PolarHBondContact O-N 2.94Å; I133-E137 HydrophobicContact CG2-CB 4.09Å; I133-E137 HydrophobicContact CG2-CG 4.4Å; I133-E137 WeakPolarHBondContact O-CA 3.33Å; I133-E137 WeakPolarHBondContact O-CB 3.21Å; I133-E137 PolarHBondContact O-N 3.47Å; I133-A138 PolarHBondContact O-N 3.34Å; I133-L145 HydrophobicContact CB-CD1 3.94Å; I133-L145 HydrophobicContact CG2-CD1 3.82Å; I133-L145 HydrophobicContact CG2-CD2 3.94Å; I133-L145 HydrophobicContact CG2-CG 4.34Å; I133-I151 HydrophobicContact CD1-CD1 3.93Å; I133-I151 HydrophobicContact CD1-CG1 4.42Å
134	S	77	Confident	74.9	Confident	29 Å²	29	88.1 Å²	88.1	20%	0.203	46%	0.46	C	S	.	.	I	π-helix	trans	-58.9	-54.8	176.9	-172.3	0	0	0	0	110.6	R130 L132 F136 A138 E139 L145	R130-S134 WeakPolarHBondContact O-CB 3.45Å; R130-S134 PolarHBondContact O-N 2.96Å; L132-S134 VanDerWaalsContact C-N 3.34Å; L132-S134 PolarHBondContact O-N 3.05Å; S134-F136 VanDerWaalsContact C-N 3.29Å; S134-F136 PolarHBondContact O-N 2.85Å; S134-A138 PolarHBondContact O-N 2.77Å; S134-E139 WeakPolarHBondContact O-CB 3.39Å; S134-E139 WeakPolarHBondContact O-CG 3.14Å; S134-E139 PolarHBondContact O-N 3.24Å; S134-E139 PolarHBondContact OG-OE1 3.17Å; S134-L145 VanDerWaalsContact CA-CD1 3.45Å; S134-L145 VanDerWaalsContact N-CD1 3.25Å
135	K	77.8	Confident	75.6	Confident	121 Å²	121	86 Å²	86	53%	0.526	45%	0.448	S	S	.	.	I	π-helix	trans	-62.4	-34.9	-175.9	-175.9	174.8	180	177.5	0	113.2	N131 L132 P140	N131-K135 WeakPolarHBondContact O-CB 3.22Å; N131-K135 PolarHBondContact O-N 3.24Å; L132-K135 PolarHBondContact O-N 2.86Å; K135-P140 WeakPolarHBondContact O-CD 3.35Å
136	F	66.3	Low	75.5	Confident	76 Å²	76	85.8 Å²	85.8	33%	0.333	45%	0.449	S	S	.	.	I	π-helix	trans	-110	-19.5	-169.8	-63.9	-65.9	0	0	0	114.9	L132 I133 S134 P295	L132-F136 HydrophobicContact CB-CD2 4.37Å; L132-F136 HydrophobicContact CD2-CD2 4.18Å; L132-F136 HydrophobicContact CD2-CE2 3.7Å; L132-F136 WeakPolarHBondContact O-CB 3.28Å; L132-F136 WeakPolarHBondContact O-CD2 3.32Å; L132-F136 PolarHBondContact O-N 3.47Å; I133-F136 PolarHBondContact O-N 2.94Å; S134-F136 VanDerWaalsContact C-N 3.29Å; S134-F136 PolarHBondContact O-N 2.85Å; F136-P295 HydrophobicContact CB-CG 4.39Å; F136-P295 HydrophobicContact CD1-CG 3.75Å; F136-P295 HydrophobicContact CD2-CG 3.84Å; F136-P295 HydrophobicContact CE1-CG 3.89Å; F136-P295 HydrophobicContact CE2-CG 3.99Å; F136-P295 HydrophobicContact CG-CG 3.73Å; F136-P295 HydrophobicContact CZ-CG 4.01Å
137	E	66.2	Low	75.6	Confident	91 Å²	91	90 Å²	90	43%	0.425	47%	0.465	S	S	.	.	I	π-helix	trans	-123.3	-21.4	-177.7	-58.2	-162.1	169.7	0	0	114.5	I133 F141 N294	I133-E137 HydrophobicContact CG2-CB 4.09Å; I133-E137 HydrophobicContact CG2-CG 4.4Å; I133-E137 WeakPolarHBondContact O-CA 3.33Å; I133-E137 WeakPolarHBondContact O-CB 3.21Å; I133-E137 PolarHBondContact O-N 3.47Å; E137-F141 WeakPolarHBondContact O-CD2 3.18Å; E137-N294 PolarHBondContact OE1-ND2 3.42Å
138	A	73.9	Confident	75.5	Confident	7 Å²	7	88.6 Å²	88.6	6%	0.058	47%	0.467	C	S	.	.	I	π-helix	trans	-103.1	-56	-179.8	0	0	0	0	0	111.7	I133 S134 F141 G142 R143 L145	I133-A138 PolarHBondContact O-N 3.34Å; S134-A138 PolarHBondContact O-N 2.77Å; A138-F141 CarbonylContact O-C 3.56Å; A138-F141 PolarHBondContact O-N 3.23Å; A138-F141 VanDerWaalsContact O-N 3.14Å; A138-G142 PolarHBondContact O-N 2.97Å; A138-R143 CarbonylContact C-O 3.48Å; A138-R143 HydrophobicContact CB-CB 4.39Å; A138-R143 VanDerWaalsContact CB-O 3.29Å; A138-R143 WeakPolarHBondContact CB-O 3.42Å; A138-R143 PolarHBondContact O-N 2.86Å; A138-L145 HydrophobicContact CB-CG 4.36Å
139	E	76.2	Confident	75	Confident	114 Å²	114	87 Å²	87	53%	0.533	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-59.6	-43.5	-175.3	-73.4	166.3	-150.5	0	0	114.2	S134 F141 G142	S134-E139 WeakPolarHBondContact O-CB 3.39Å; S134-E139 WeakPolarHBondContact O-CG 3.14Å; S134-E139 PolarHBondContact O-N 3.24Å; S134-E139 PolarHBondContact OG-OE1 3.17Å; E139-F141 PolarHBondContact O-N 3.48Å; E139-F141 VanDerWaalsContact O-N 3.07Å; E139-G142 PolarHBondContact O-N 3.41Å; E139-G142 VanDerWaalsContact O-N 3.08Å
140	P	71.3	Confident	75	Confident	84 Å²	84	93.9 Å²	93.9	55%	0.545	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-61.9	-20.8	179.1	-23.8	35.5	0	0	0	113.8	K135	K135-P140 WeakPolarHBondContact O-CD 3.35Å
141	F	67.5	Low	74.4	Confident	146 Å²	146	92.5 Å²	92.5	64%	0.64	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-109.2	11.6	-178.7	-56.6	-78.4	0	0	0	112.8	E137 A138 E139 R143	E137-F141 WeakPolarHBondContact O-CD2 3.18Å; A138-F141 CarbonylContact O-C 3.56Å; A138-F141 PolarHBondContact O-N 3.23Å; A138-F141 VanDerWaalsContact O-N 3.14Å; E139-F141 PolarHBondContact O-N 3.48Å; E139-F141 VanDerWaalsContact O-N 3.07Å; F141-R143 VanDerWaalsContact C-N 3.29Å; F141-R143 HydrophobicContact CB-CG 4.47Å; F141-R143 PolarHBondContact O-N 2.97Å
142	G	71	Confident	73.6	Confident	75 Å²	75	93.8 Å²	93.8	77%	0.773	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	28.9	-180	0	0	0	0	0	113.9	A138 E139	A138-G142 PolarHBondContact O-N 2.97Å; E139-G142 PolarHBondContact O-N 3.41Å; E139-G142 VanDerWaalsContact O-N 3.08Å
143	R	75.3	Confident	72.8	Confident	190 Å²	190	97.7 Å²	97.7	72%	0.717	51%	0.514	S	S	*	.			trans	-110.3	159.2	179.4	-61.8	-176.8	-177	-175	0.7	110.8	A138 F141	A138-R143 CarbonylContact C-O 3.48Å; A138-R143 HydrophobicContact CB-CB 4.39Å; A138-R143 VanDerWaalsContact CB-O 3.29Å; A138-R143 WeakPolarHBondContact CB-O 3.42Å; A138-R143 PolarHBondContact O-N 2.86Å; F141-R143 VanDerWaalsContact C-N 3.29Å; F141-R143 HydrophobicContact CB-CG 4.47Å; F141-R143 PolarHBondContact O-N 2.97Å
144	S	82.6	Confident	71.8	Confident	108 Å²	108	99.6 Å²	99.6	76%	0.755	53%	0.527	S	S	*	.			trans	-115.7	151.2	168.9	58.1	0	0	0	0	110.7
145	L	77	Confident	70.6	Confident	48 Å²	48	100.8 Å²	100.8	25%	0.251	54%	0.535	S	S	.	.			trans	-77.1	134.2	175.6	-90.3	151.8	0	0	0	111.1	I133 S134 A138 L149	I133-L145 HydrophobicContact CB-CD1 3.94Å; I133-L145 HydrophobicContact CG2-CD1 3.82Å; I133-L145 HydrophobicContact CG2-CD2 3.94Å; I133-L145 HydrophobicContact CG2-CG 4.34Å; S134-L145 VanDerWaalsContact CA-CD1 3.45Å; S134-L145 VanDerWaalsContact N-CD1 3.25Å; A138-L145 HydrophobicContact CB-CG 4.36Å; L145-L149 HydrophobicContact CD2-CD2 3.33Å; L145-L149 HydrophobicContact CD2-CG 4.44Å
146	P	79.9	Confident	69.2	Low	76 Å²	76	99.8 Å²	99.8	49%	0.494	54%	0.539	S	S	.	.			trans	-63.3	137.8	171.4	-17.4	29.5	0	0	0	111.2	T148 L149	P146-T148 PolarHBondContact O-N 3.25Å; P146-T148 VanDerWaalsContact O-N 3.14Å; P146-L149 WeakPolarHBondContact O-CB 3.13Å; P146-L149 PolarHBondContact O-N 2.91Å; P146-L149 VanDerWaalsContact O-N 3.11Å
147	E	76.6	Confident	68.4	Low	185 Å²	185	102.5 Å²	102.5	86%	0.864	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-29.3	174.5	-70.2	-171.9	172.3	0	0	112	R130 L149	R130-E147 PolarHBondContact NH2-O 3.48Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.34Å
148	T	77.9	Confident	67.8	Low	115 Å²	115	104.2 Å²	104.2	71%	0.706	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	5.4	-179.6	60.4	0	0	0	0	114.7	P146 H150	P146-T148 PolarHBondContact O-N 3.25Å; P146-T148 VanDerWaalsContact O-N 3.14Å; T148-H150 PolarHBondContact O-CD2 2.66Å; T148-H150 PolarHBondContact O-N 2.87Å
149	L	70.4	Confident	66.5	Low	63 Å²	63	112.6 Å²	112.6	33%	0.33	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-67.7	116.7	178.8	-174.3	74.3	0	0	0	110.8	R130 L145 P146 E147 I151	R130-L149 PolarHBondContact NH1-O 3.35Å; R130-L149 PolarHBondContact NH2-O 3.42Å; L145-L149 HydrophobicContact CD2-CD2 3.33Å; L145-L149 HydrophobicContact CD2-CG 4.44Å; P146-L149 WeakPolarHBondContact O-CB 3.13Å; P146-L149 PolarHBondContact O-N 2.91Å; P146-L149 VanDerWaalsContact O-N 3.11Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.34Å; L149-I151 HydrophobicContact CD2-CG1 4.47Å
150	H	73.2	Confident	65	Low	162 Å²	162	112.2 Å²	112.2	75%	0.75	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-88.3	119.9	169.9	-69.5	-78.8	0	0	0	109.4	T148	T148-H150 PolarHBondContact O-CD2 2.66Å; T148-H150 PolarHBondContact O-N 2.87Å
151	I	68.1	Low	63.9	Low	43 Å²	43	118.1 Å²	118.1	22%	0.221	61%	0.611	C	S	.	*	P	Polyproline II helix	trans	-83.6	124.5	172.5	-61.2	-177.4	0	0	0	106.8	D126 A129 R130 I133 L149	D126-I151 WeakPolarHBondContact O-CD1 3.3Å; A129-I151 HydrophobicContact CB-CD1 3.64Å; A129-I151 HydrophobicContact CB-CG2 4.42Å; R130-I151 HydrophobicContact CB-CD1 4.43Å; R130-I151 HydrophobicContact CG-CD1 3.72Å; I133-I151 HydrophobicContact CD1-CD1 3.93Å; I133-I151 HydrophobicContact CD1-CG1 4.42Å; L149-I151 HydrophobicContact CD2-CG1 4.47Å
152	I	65.1	Low	63	Low	133 Å²	133	116.6 Å²	116.6	68%	0.682	61%	0.61	S	S	*	*			trans	-109.4	121.7	176.7	-57.1	174.9	0	0	0	106.4	V154	I152-V154 HydrophobicContact CG2-CG2 4.15Å; I152-V154 PolarHBondContact O-N 3.12Å
153	D	59.3	Low	61.7	Low	148 Å²	148	116.5 Å²	116.5	79%	0.791	59%	0.594	S	S	*	*			trans	-72.3	114.2	170	-167.6	1.4	0	0	0	108.4
154	V	54.3	Low	59.9	Low	77 Å²	77	117.3 Å²	117.3	47%	0.467	60%	0.597	S	S	.	*			trans	-108.2	106.5	178.7	-174.1	0	0	0	0	107.1	I152 V156 Y159	I152-V154 HydrophobicContact CG2-CG2 4.15Å; I152-V154 PolarHBondContact O-N 3.12Å; V154-V156 PolarHBondContact O-N 3.02Å; V154-Y159 HydrophobicContact CG1-CD2 3.64Å; V154-Y159 HydrophobicContact CG1-CE2 4.19Å
155	S	53.3	Low	57.7	Low	54 Å²	54	118.3 Å²	118.3	38%	0.378	59%	0.59	S	S	.	*			trans	-61.4	127.1	169.7	179.9	0	0	0	0	109.2	D157 D158	S155-D157 PolarHBondContact O-N 3.49Å; S155-D157 VanDerWaalsContact O-N 3.12Å; S155-D158 PolarHBondContact O-N 3.17Å
156	V	47.4	Very low	55.7	Low	100 Å²	100	120.9 Å²	120.9	61%	0.606	60%	0.604	S	S	*	*	H	α-helix	trans	-57.6	-28.1	179.2	178.5	0	0	0	0	111.4	V154 D158 M160	V154-V156 PolarHBondContact O-N 3.02Å; V156-D158 VanDerWaalsContact C-N 3.29Å; V156-D158 PolarHBondContact O-N 3.35Å; V156-M160 HydrophobicContact CG1-CG 3.8Å; V156-M160 WeakPolarHBondContact O-CB 3.26Å; V156-M160 VanDerWaalsContact O-CG 3.23Å; V156-M160 WeakPolarHBondContact O-CG 3.37Å; V156-M160 PolarHBondContact O-N 3.5Å
157	D	50.9	Low	53.6	Low	133 Å²	133	122 Å²	122	71%	0.711	61%	0.609	S	S	*	*	H	α-helix	trans	-67.6	-26.8	178.4	-70.6	-30.5	0	0	0	113.2	S155	S155-D157 PolarHBondContact O-N 3.49Å; S155-D157 VanDerWaalsContact O-N 3.12Å
158	D	52.9	Low	51.7	Low	128 Å²	128	119.7 Å²	119.7	68%	0.684	60%	0.602	S	S	*	*	H	α-helix	trans	-77.1	-32.6	-178.2	-70.4	-30	0	0	0	112.4	S155 V156	S155-D158 PolarHBondContact O-N 3.17Å; V156-D158 VanDerWaalsContact C-N 3.29Å; V156-D158 PolarHBondContact O-N 3.35Å
159	Y	46.6	Very low	49.6	Very low	183 Å²	183	123.4 Å²	123.4	72%	0.718	60%	0.603	S	S	*	*	H	α-helix	trans	-95.4	-20.5	-175.4	-108.2	-91	0	0	0	114.4	V154 R161	V154-Y159 HydrophobicContact CG1-CD2 3.64Å; V154-Y159 HydrophobicContact CG1-CE2 4.19Å; Y159-R161 PolarHBondContact O-N 3.22Å
160	M	45	Very low	47.7	Very low	106 Å²	106	126.4 Å²	126.4	52%	0.522	62%	0.62	S	S	.	*	S	Bend	trans	-85.8	-2	-173.3	-70.3	-71.2	-80.1	0	0	114.6	V156 V163 R164	V156-M160 HydrophobicContact CG1-CG 3.8Å; V156-M160 WeakPolarHBondContact O-CB 3.26Å; V156-M160 VanDerWaalsContact O-CG 3.23Å; V156-M160 WeakPolarHBondContact O-CG 3.37Å; V156-M160 PolarHBondContact O-N 3.5Å; M160-V163 HydrophobicContact SD-CB 4.27Å; M160-V163 HydrophobicContact SD-CG2 4.04Å; M160-R164 PolarHBondContact O-N 3.29Å
161	R	48.1	Very low	45.8	Very low	207 Å²	207	124.4 Å²	124.4	78%	0.781	62%	0.618	S	S	*	*	H	α-helix	trans	-61	-46.1	177	-111.5	-178.8	-160.6	173.4	8.6	112.4	Y159 R164	Y159-R161 PolarHBondContact O-N 3.22Å; R161-R164 PolarHBondContact O-N 3.34Å
162	D	48.4	Very low	44.1	Very low	115 Å²	115	127.1 Å²	127.1	62%	0.615	64%	0.641	S	S	*	*	H	α-helix	trans	-76.6	-28.1	-176.2	-70.8	-5.7	0	0	0	112.9	R164 E165 N166	D162-R164 VanDerWaalsContact C-N 3.25Å; D162-R164 PolarHBondContact O-N 3.22Å; D162-E165 PolarHBondContact O-N 3.23Å; D162-N166 PolarHBondContact O-N 3.44Å; D162-N166 VanDerWaalsContact O-N 3.14Å
163	V	43.9	Very low	42.4	Very low	72 Å²	72	128.1 Å²	128.1	44%	0.436	65%	0.647	S	S	.	*	H	α-helix	trans	-64.1	-36.2	175.7	-176.5	0	0	0	0	110.3	M160 N166 V167	M160-V163 HydrophobicContact SD-CB 4.27Å; M160-V163 HydrophobicContact SD-CG2 4.04Å; V163-N166 PolarHBondContact O-N 2.67Å; V163-V167 WeakPolarHBondContact O-CG2 3.45Å; V163-V167 PolarHBondContact O-N 2.82Å
164	R	36.6	Very low	41.1	Very low	208 Å²	208	126.7 Å²	126.7	79%	0.785	65%	0.646	S	S	*	*	H	α-helix	trans	-67.9	-35.9	179.8	-148.6	176.2	-171.9	176.1	2.3	112.5	M160 R161 D162	M160-R164 PolarHBondContact O-N 3.29Å; R161-R164 PolarHBondContact O-N 3.34Å; D162-R164 VanDerWaalsContact C-N 3.25Å; D162-R164 PolarHBondContact O-N 3.22Å
165	E	38	Very low	39.8	Very low	129 Å²	129	132.7 Å²	132.7	60%	0.603	67%	0.666	S	S	*	*	H	α-helix	trans	-72.7	-35.9	175.7	-74.4	-165	162.4	0	0	112.7	D162 V167 L168 R169	D162-E165 PolarHBondContact O-N 3.23Å; E165-V167 PolarHBondContact O-N 2.73Å; E165-L168 PolarHBondContact O-N 3.24Å; E165-R169 PolarHBondContact O-N 3.27Å
166	N	34.8	Very low	38.8	Very low	102 Å²	102	135.7 Å²	135.7	55%	0.545	68%	0.684	S	S	.	*	H	α-helix	trans	-68.8	-31.5	179.5	-81.4	-26.7	0	0	0	113.4	D162 V163 L168 R169	D162-N166 PolarHBondContact O-N 3.44Å; D162-N166 VanDerWaalsContact O-N 3.14Å; V163-N166 PolarHBondContact O-N 2.67Å; N166-L168 VanDerWaalsContact C-N 3.26Å; N166-L168 PolarHBondContact O-N 3.46Å; N166-R169 PolarHBondContact O-N 3.35Å
167	V	35	Very low	38	Very low	98 Å²	98	136.5 Å²	136.5	59%	0.594	69%	0.691	S	S	*	*	H	α-helix	trans	-64.4	-32	175.3	173.8	0	0	0	0	111.6	V163 E165	V163-V167 WeakPolarHBondContact O-CG2 3.45Å; V163-V167 PolarHBondContact O-N 2.82Å; E165-V167 PolarHBondContact O-N 2.73Å
168	L	37	Very low	36.9	Very low	138 Å²	138	137 Å²	137	72%	0.723	70%	0.7	S	S	*	*	H	α-helix	trans	-79.8	-22.6	-179.1	-68.6	173.1	0	0	0	113.7	E165 N166	E165-L168 PolarHBondContact O-N 3.24Å; N166-L168 VanDerWaalsContact C-N 3.26Å; N166-L168 PolarHBondContact O-N 3.46Å
169	R	33.8	Very low	35.8	Very low	192 Å²	192	139.2 Å²	139.2	73%	0.725	71%	0.711	S	S	*	*	H	α-helix	trans	-76	-20.9	177.6	-76.9	-172.1	178	-165.6	2.2	114	E165 N166 V171	E165-R169 PolarHBondContact O-N 3.27Å; N166-R169 PolarHBondContact O-N 3.35Å; R169-V171 VanDerWaalsContact C-N 3.26Å; R169-V171 PolarHBondContact O-N 3.43Å
170	N	30.9	Very low	34.9	Very low	126 Å²	126	135.7 Å²	135.7	67%	0.674	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	2.1	-176	-72.4	-18.7	0	0	0	114.7
171	V	33.4	Very low	33.9	Very low	120 Å²	120	136.1 Å²	136.1	73%	0.727	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	6.9	-179.2	-172.9	0	0	0	0	112.7	R169	R169-V171 VanDerWaalsContact C-N 3.26Å; R169-V171 PolarHBondContact O-N 3.43Å
172	S	30.7	Very low	33	Very low	100 Å²	100	133.2 Å²	133.2	70%	0.699	73%	0.731	S	S	*	*			trans	-146.2	87.9	177.5	-64.8	0	0	0	0	112.2
173	L	30.1	Very low	32	Very low	155 Å²	155	131.4 Å²	131.4	81%	0.812	74%	0.74	S	S	*	*			trans	-106.2	116.8	172.1	-73	174	0	0	0	111.1
174	P	32.8	Very low	31	Very low	118 Å²	118	131.6 Å²	131.6	77%	0.766	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-75.2	151.4	164.6	-9.1	26.1	0	0	0	111.6
175	K	26.3	Very low	30.6	Very low	202 Å²	202	128.5 Å²	128.5	88%	0.878	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-56.7	141.2	-178.1	-86.8	178.9	174.1	174.5	0	113.4
176	P	31.8	Very low	30.1	Very low	117 Å²	117	127.1 Å²	127.1	76%	0.76	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-76.3	150	-176.7	29.1	-33.2	0	0	0	113.4
177	P	31	Very low	29.8	Very low	117 Å²	117	130.1 Å²	130.1	76%	0.76	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78.7	141.4	175.1	-4.4	22.5	0	0	0	112.1	L179	P177-L179 PolarHBondContact O-N 2.92Å
178	T	27.3	Very low	29.5	Very low	144 Å²	144	134.4 Å²	134.4	88%	0.883	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-60.6	119.1	171.5	40.5	0	0	0	0	112
179	L	29.6	Very low	29	Very low	175 Å²	175	137.7 Å²	137.7	92%	0.916	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84.3	125.6	171.5	-99.5	109.7	0	0	0	111.4	P177	P177-L179 PolarHBondContact O-N 2.92Å
180	S	28	Very low	28.8	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-86.2	143.9	171.1	59.5	0	0	0	0	112
181	S	25.6	Very low	28.7	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-66.4	136.1	176.9	46.7	0	0	0	0	114.8
182	T	29.3	Very low	28.6	Very low	146 Å²	146	137.2 Å²	137.2	90%	0.896	83%	0.828	S	S	*	*			trans	-152.5	138.8	151.5	54.5	0	0	0	0	105
183	G	26.1	Very low	28.6	Very low	77 Å²	77	138 Å²	138	79%	0.794	83%	0.829	S	S	*	*			cis	139.6	97.1	11	0	0	0	0	0	107.9
184	G	22.7	Very low	28.8	Very low	76 Å²	76	139.1 Å²	139.1	78%	0.784	83%	0.832	S	S	*	*			trans	66.1	132.7	154.2	0	0	0	0	0	120
185	V	28.7	Very low	28.9	Very low	144 Å²	144	139.9 Å²	139.9	87%	0.873	83%	0.834	S	S	*	*				-169.5	129.3	108.8	169.9	0	0	0	0	107
186	A	26.5	Very low	29.1	Very low	99 Å²	99	134.8 Å²	134.8	82%	0.818	83%	0.83	S	S	*	*			trans	-92.2	132.1	175.7	0	0	0	0	0	109.1
187	D	29.5	Very low	29.2	Very low	166 Å²	166	137.8 Å²	137.8	89%	0.888	83%	0.832	S	S	*	*			trans	-111.3	139.1	178.8	-132.8	-15.6	0	0	0	111.6
188	E	27.9	Very low	29.3	Very low	188 Å²	188	140.7 Å²	140.7	88%	0.879	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-75.3	143.8	-159.8	-98.1	179.7	138.4	0	0	115.2	A190	E188-A190 PolarHBondContact O-N 2.98Å
189	K	26.8	Very low	29.4	Very low	207 Å²	207	143.3 Å²	143.3	90%	0.9	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-72.3	116.9	174.9	-76	177.7	175.4	177.2	0	111.9	K191	K189-K191 PolarHBondContact O-N 3.24Å
190	A	30.1	Very low	29.6	Very low	101 Å²	101	142.7 Å²	142.7	84%	0.835	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-66.4	124	170.2	0	0	0	0	0	112	E188	E188-A190 PolarHBondContact O-N 2.98Å
191	K	29	Very low	29.8	Very low	197 Å²	197	145.2 Å²	145.2	86%	0.857	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-79.9	136.6	175.2	-79.7	176.4	178.2	170.8	0	111.2	K189	K189-K191 PolarHBondContact O-N 3.24Å
192	P	30.1	Very low	30.2	Very low	129 Å²	129	147.1 Å²	147.1	84%	0.838	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-75.8	133.8	-177.1	28.2	-33.1	0	0	0	113.2
193	T	31.6	Very low	30.2	Very low	118 Å²	118	144.8 Å²	144.8	72%	0.724	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-71.8	145.3	-176.2	34.9	0	0	0	0	114.3	V195	T193-V195 PolarHBondContact O-N 3.22Å
194	M	34.6	Very low	30.6	Very low	177 Å²	177	149.8 Å²	149.8	87%	0.872	81%	0.807	S	S	*	*	G	3₁₀ helix	trans	-58.8	7.6	-174.1	-87.4	171.5	46.5	0	0	118.1	A196	M194-A196 VanDerWaalsContact C-N 3.34Å; M194-A196 PolarHBondContact O-N 3.07Å
195	V	35	Very low	31.1	Very low	134 Å²	134	152 Å²	152	81%	0.812	80%	0.801	S	S	*	*	G	3₁₀ helix	trans	-82	-12	-174.2	-177	0	0	0	0	112.8	T193 K197	T193-V195 PolarHBondContact O-N 3.22Å; V195-K197 VanDerWaalsContact C-N 3.35Å; V195-K197 PolarHBondContact O-N 3.48Å
196	A	30.6	Very low	31.3	Very low	96 Å²	96	148.6 Å²	148.6	79%	0.793	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-80.5	-4.8	178.5	0	0	0	0	0	115.2	M194	M194-A196 VanDerWaalsContact C-N 3.34Å; M194-A196 PolarHBondContact O-N 3.07Å
197	K	32.2	Very low	31.7	Very low	180 Å²	180	151.2 Å²	151.2	78%	0.783	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-93	-3.7	-172.4	-89	-173.7	175.5	-178.9	0	116.7	V195	V195-K197 VanDerWaalsContact C-N 3.35Å; V195-K197 PolarHBondContact O-N 3.48Å
198	Q	33.6	Very low	32	Very low	178 Å²	178	149.8 Å²	149.8	83%	0.832	77%	0.774	S	S	*	*	S	Bend	trans	-98.3	-4.6	-174.3	-85.1	-175.6	-12.3	0	0	116.6
199	K	30.2	Very low	32.2	Very low	198 Å²	198	148.9 Å²	148.9	86%	0.861	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-1.5	175.1	-87.6	-174.4	174.8	-179.4	0	115
200	H	33	Very low	32.7	Very low	163 Å²	163	145.9 Å²	145.9	76%	0.755	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	2.2	-172.7	-131	80.7	0	0	0	116
201	Q	32	Very low	33	Very low	162 Å²	162	146 Å²	146	76%	0.757	76%	0.757	S	S	*	*	S	Bend	trans	-101.5	-9.9	-178.3	-86.7	-176	-26.6	0	0	115.7
202	I	33.6	Very low	33.4	Very low	153 Å²	153	148.4 Å²	148.4	79%	0.785	76%	0.76	S	S	*	*	S	Bend	trans	-88.1	-23.2	179.3	-65.9	176.8	0	0	0	112.2
203	T	31.2	Very low	33.7	Very low	98 Å²	98	147.6 Å²	147.6	60%	0.601	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-19.1	-179.3	-41	0	0	0	0	113.5
204	Y	33.2	Very low	34.5	Very low	181 Å²	181	145.2 Å²	145.2	71%	0.71	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-26.3	-174.3	-166	-107.6	0	0	0	113.9
205	L	32.9	Very low	35.4	Very low	123 Å²	123	141.8 Å²	141.8	64%	0.644	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-17.8	-178.2	-74.1	167.3	0	0	0	114	H207	L205-H207 PolarHBondContact O-N 3.36Å
206	A	33.1	Very low	36.2	Very low	73 Å²	73	144.6 Å²	144.6	60%	0.603	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-71.2	-19.3	173.6	0	0	0	0	0	112.9	L208	A206-L208 PolarHBondContact O-N 3.42Å
207	H	36.4	Very low	37.1	Very low	153 Å²	153	147.7 Å²	147.7	71%	0.708	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-81.3	-7	-179	-95.5	60.6	0	0	0	114.9	L205	L205-H207 PolarHBondContact O-N 3.36Å
208	L	35.7	Very low	38.2	Very low	136 Å²	136	145.1 Å²	145.1	71%	0.712	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-98	0.3	-178.9	-77.4	167.2	0	0	0	114.9	A206	A206-L208 PolarHBondContact O-N 3.42Å
209	M	31.7	Very low	39.6	Very low	169 Å²	169	140.5 Å²	140.5	83%	0.833	71%	0.709	S	S	*	*			trans	-112.6	29	-175.3	-72.1	-149.5	-121.5	0	0	115.7
210	I	36.1	Very low	41.2	Very low	144 Å²	144	136.7 Å²	136.7	74%	0.738	70%	0.697	S	S	*	*			trans	-90.2	118.6	170.5	-57.5	-179.1	0	0	0	109.7
211	P	38	Very low	42.5	Very low	105 Å²	105	134.3 Å²	134.3	68%	0.682	69%	0.689	S	S	*	*			trans	-62.6	138.2	-171.8	-18.2	29.4	0	0	0	112.6	C213	P211-C213 PolarHBondContact O-N 3.26Å
212	R	37.4	Very low	44.1	Very low	246 Å²	246	129.2 Å²	129.2	93%	0.928	68%	0.675	S	S	*	*			trans	-65.5	71.5	170.9	-72.5	178.2	168.6	158	-3.5	111.4
213	C	36.3	Very low	45.9	Very low	112 Å²	112	125.7 Å²	125.7	76%	0.757	66%	0.661	S	S	*	*			trans	-129.7	119.1	166.2	-89.1	0	0	0	0	109.1	P211	P211-C213 PolarHBondContact O-N 3.26Å
214	S	48.1	Very low	47.8	Very low	68 Å²	68	124.8 Å²	124.8	48%	0.476	66%	0.655	S	S	.	*			trans	82.6	29.6	163	-142.4	0	0	0	0	119	K216 K217 L218	S214-K216 PolarHBondContact O-N 3.11Å; S214-K216 VanDerWaalsContact O-N 3.08Å; S214-K217 PolarHBondContact O-N 3.07Å; S214-K217 WeakPolarHBondContact OG-CB 3.46Å; S214-L218 PolarHBondContact O-N 3.27Å; S214-L218 VanDerWaalsContact O-N 3.17Å
215	V	53.7	Low	49.6	Very low	106 Å²	106	119.4 Å²	119.4	64%	0.642	64%	0.641	S	S	*	*	H	α-helix	trans	-51.3	-33.2	169.4	179.1	0	0	0	0	111.8	L218 V219	V215-L218 PolarHBondContact O-N 3.49Å; V215-V219 HydrophobicContact CG1-CG2 4.07Å; V215-V219 WeakPolarHBondContact O-CB 3.31Å; V215-V219 VanDerWaalsContact O-CG2 3.23Å; V215-V219 WeakPolarHBondContact O-CG2 3.37Å; V215-V219 PolarHBondContact O-N 3.17Å
216	K	51.7	Low	51.8	Low	193 Å²	193	115.1 Å²	115.1	84%	0.839	63%	0.627	S	S	*	*	H	α-helix	trans	-68	-33.7	178	-72	-172.2	175.8	-176.7	0	114.4	S214 L220	S214-K216 PolarHBondContact O-N 3.11Å; S214-K216 VanDerWaalsContact O-N 3.08Å; K216-L220 PolarHBondContact O-N 3.05Å
217	K	49.8	Very low	54	Low	160 Å²	160	117.9 Å²	117.9	70%	0.696	63%	0.625	S	S	*	*	H	α-helix	trans	-80.1	-34.3	175.8	-72.5	-171.3	174.2	-176.4	0	111.7	S214 L220 L221	S214-K217 PolarHBondContact O-N 3.07Å; S214-K217 WeakPolarHBondContact OG-CB 3.46Å; K217-L220 PolarHBondContact O-N 3.31Å; K217-L221 WeakPolarHBondContact O-CB 3.25Å; K217-L221 PolarHBondContact O-N 3.15Å
218	L	54	Low	56.1	Low	126 Å²	126	113.7 Å²	113.7	66%	0.66	61%	0.613	S	S	*	*	H	α-helix	trans	-69	-39.6	178.6	-153.2	80.7	0	0	0	111.7	S214 V215 L221 A222	S214-L218 PolarHBondContact O-N 3.27Å; S214-L218 VanDerWaalsContact O-N 3.17Å; V215-L218 PolarHBondContact O-N 3.49Å; L218-L221 PolarHBondContact O-N 3.35Å; L218-A222 WeakPolarHBondContact O-CB 3.41Å; L218-A222 PolarHBondContact O-N 2.83Å
219	V	63.7	Low	58.3	Low	82 Å²	82	112.9 Å²	112.9	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-63.4	-43.7	175.3	172	0	0	0	0	110.8	V215 A222 T223	V215-V219 HydrophobicContact CG1-CG2 4.07Å; V215-V219 WeakPolarHBondContact O-CB 3.31Å; V215-V219 VanDerWaalsContact O-CG2 3.23Å; V215-V219 WeakPolarHBondContact O-CG2 3.37Å; V215-V219 PolarHBondContact O-N 3.17Å; V219-A222 PolarHBondContact O-N 3.34Å; V219-T223 HydrophobicContact CG1-CG2 4.38Å; V219-T223 WeakPolarHBondContact O-CG2 3.34Å; V219-T223 PolarHBondContact O-N 3.18Å; V219-T223 PolarHBondContact O-OG1 3.43Å; V219-T223 VanDerWaalsContact O-OG1 3.09Å
220	L	62.8	Low	60.6	Low	118 Å²	118	112.3 Å²	112.3	62%	0.618	60%	0.596	S	S	*	*	H	α-helix	trans	-66.7	-39.6	179.2	-168.2	73	0	0	0	112.1	K216 K217 T223 V224	K216-L220 PolarHBondContact O-N 3.05Å; K217-L220 PolarHBondContact O-N 3.31Å; L220-T223 WeakPolarHBondContact CA-OG1 3.41Å; L220-T223 PolarHBondContact O-OG1 3.12Å; L220-V224 VanDerWaalsContact O-CG2 3.28Å; L220-V224 WeakPolarHBondContact O-CG2 3.4Å; L220-V224 PolarHBondContact O-N 2.8Å; L220-V224 VanDerWaalsContact O-N 3.09Å
221	L	61.1	Low	62.9	Low	112 Å²	112	110.6 Å²	110.6	59%	0.586	58%	0.584	S	S	*	*	H	α-helix	trans	-66.5	-44.8	175.4	-166.8	69.4	0	0	0	110.5	K217 L218 T223 V224 T225	K217-L221 WeakPolarHBondContact O-CB 3.25Å; K217-L221 PolarHBondContact O-N 3.15Å; L218-L221 PolarHBondContact O-N 3.35Å; L221-T223 PolarHBondContact O-N 3.45Å; L221-V224 PolarHBondContact O-N 2.98Å; L221-T225 PolarHBondContact O-N 3.42Å; L221-T225 PolarHBondContact O-OG1 3.28Å
222	A	65.4	Low	64.7	Low	55 Å²	55	112.2 Å²	112.2	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-64.5	-35.7	178.9	0	0	0	0	0	112.8	L218 V219 T225 G226	L218-A222 WeakPolarHBondContact O-CB 3.41Å; L218-A222 PolarHBondContact O-N 2.83Å; V219-A222 PolarHBondContact O-N 3.34Å; A222-T225 WeakPolarHBondContact CA-OG1 3.21Å; A222-T225 PolarHBondContact O-OG1 2.87Å; A222-G226 WeakPolarHBondContact O-CA 3.37Å; A222-G226 PolarHBondContact O-N 2.71Å
223	T	70.7	Confident	66.7	Low	80 Å²	80	103.1 Å²	103.1	49%	0.491	56%	0.557	S	S	.	*	H	α-helix	trans	-70.5	-38.9	174.6	52.5	0	0	0	0	111.5	V219 L220 L221 F227	V219-T223 HydrophobicContact CG1-CG2 4.38Å; V219-T223 WeakPolarHBondContact O-CG2 3.34Å; V219-T223 PolarHBondContact O-N 3.18Å; V219-T223 PolarHBondContact O-OG1 3.43Å; V219-T223 VanDerWaalsContact O-OG1 3.09Å; L220-T223 WeakPolarHBondContact CA-OG1 3.41Å; L220-T223 PolarHBondContact O-OG1 3.12Å; L221-T223 PolarHBondContact O-N 3.45Å; T223-F227 WeakPolarHBondContact O-CB 3.44Å; T223-F227 PolarHBondContact O-N 3.37Å
224	V	72.9	Confident	68.6	Low	79 Å²	79	100.1 Å²	100.1	48%	0.479	54%	0.536	S	S	.	.	H	α-helix	trans	-70	-48.7	177.1	174.3	0	0	0	0	110.9	L220 L221 G226 F227 C228	L220-V224 VanDerWaalsContact O-CG2 3.28Å; L220-V224 WeakPolarHBondContact O-CG2 3.4Å; L220-V224 PolarHBondContact O-N 2.8Å; L220-V224 VanDerWaalsContact O-N 3.09Å; L221-V224 PolarHBondContact O-N 2.98Å; V224-G226 VanDerWaalsContact C-N 3.33Å; V224-G226 PolarHBondContact O-N 2.82Å; V224-F227 PolarHBondContact O-N 3.1Å; V224-C228 WeakPolarHBondContact O-CB 3.19Å; V224-C228 PolarHBondContact O-N 2.65Å; V224-C228 PolarHBondContact O-SG 3.41Å
225	T	70.7	Confident	70	Confident	67 Å²	67	100.2 Å²	100.2	41%	0.411	53%	0.533	S	S	.	.	H	α-helix	trans	-65.5	-38.1	176.1	47.4	0	0	0	0	111.6	L221 A222 C228 I229	L221-T225 PolarHBondContact O-N 3.42Å; L221-T225 PolarHBondContact O-OG1 3.28Å; A222-T225 WeakPolarHBondContact CA-OG1 3.21Å; A222-T225 PolarHBondContact O-OG1 2.87Å; T225-C228 PolarHBondContact O-N 3.29Å; T225-I229 WeakPolarHBondContact O-CB 3.45Å; T225-I229 WeakPolarHBondContact O-CD1 3.4Å; T225-I229 WeakPolarHBondContact O-CG1 3.34Å; T225-I229 PolarHBondContact O-N 3.14Å
226	G	78.3	Confident	70.9	Confident	34 Å²	34	101 Å²	101	35%	0.351	53%	0.532	S	S	.	.	H	α-helix	trans	-62.8	-42.5	175.3	0	0	0	0	0	112	A222 V224 W230	A222-G226 WeakPolarHBondContact O-CA 3.37Å; A222-G226 PolarHBondContact O-N 2.71Å; V224-G226 VanDerWaalsContact C-N 3.33Å; V224-G226 PolarHBondContact O-N 2.82Å; G226-W230 VanDerWaalsContact O-CB 3.22Å; G226-W230 WeakPolarHBondContact O-CB 3.41Å; G226-W230 PolarHBondContact O-N 2.67Å
227	F	78.7	Confident	71.5	Confident	130 Å²	130	97.8 Å²	97.8	57%	0.57	52%	0.523	S	S	*	.	H	α-helix	trans	-68.9	-40.5	175.9	-165.7	-93.8	0	0	0	112	T223 V224 W230 F231	T223-F227 WeakPolarHBondContact O-CB 3.44Å; T223-F227 PolarHBondContact O-N 3.37Å; V224-F227 PolarHBondContact O-N 3.1Å; F227-W230 HydrophobicContact CD2-CE3 4.48Å; F227-W230 HydrophobicContact CE2-CE3 4.27Å; F227-W230 HydrophobicContact CE2-CZ3 4.27Å; F227-W230 PolarHBondContact O-N 3.26Å; F227-F231 WeakPolarHBondContact O-CB 3.44Å; F227-F231 PolarHBondContact O-N 3.14Å
228	C	81.6	Confident	72.1	Confident	66 Å²	66	99 Å²	99	45%	0.446	52%	0.523	S	S	.	.	H	α-helix	trans	-63.8	-43.7	174.8	-70	0	0	0	0	111.8	V224 T225 F231 F232	V224-C228 WeakPolarHBondContact O-CB 3.19Å; V224-C228 PolarHBondContact O-N 2.65Å; V224-C228 PolarHBondContact O-SG 3.41Å; T225-C228 PolarHBondContact O-N 3.29Å; C228-F231 PolarHBondContact O-N 3.48Å; C228-F232 WeakPolarHBondContact O-CB 3.2Å; C228-F232 PolarHBondContact O-N 3.08Å
229	I	80.6	Confident	72.2	Confident	119 Å²	119	95.1 Å²	95.1	61%	0.61	51%	0.509	S	S	*	.	H	α-helix	trans	-64.1	-44.2	176.2	-68.6	163.8	0	0	0	110.1	T225 A233	T225-I229 WeakPolarHBondContact O-CB 3.45Å; T225-I229 WeakPolarHBondContact O-CD1 3.4Å; T225-I229 WeakPolarHBondContact O-CG1 3.34Å; T225-I229 PolarHBondContact O-N 3.14Å; I229-A233 WeakPolarHBondContact O-CB 3.32Å; I229-A233 PolarHBondContact O-N 2.86Å
230	W	81.1	Confident	71.7	Confident	156 Å²	156	94.7 Å²	94.7	59%	0.591	51%	0.509	S	S	*	.	H	α-helix	trans	-67	-39.1	178.5	-177.8	78.3	0	0	0	112.8	G226 F227 T234	G226-W230 VanDerWaalsContact O-CB 3.22Å; G226-W230 WeakPolarHBondContact O-CB 3.41Å; G226-W230 PolarHBondContact O-N 2.67Å; F227-W230 HydrophobicContact CD2-CE3 4.48Å; F227-W230 HydrophobicContact CE2-CE3 4.27Å; F227-W230 HydrophobicContact CE2-CZ3 4.27Å; F227-W230 PolarHBondContact O-N 3.26Å; W230-T234 HydrophobicContact CD2-CG2 4.36Å; W230-T234 HydrophobicContact CZ2-CG2 4.13Å; W230-T234 WeakPolarHBondContact O-CB 3.45Å; W230-T234 WeakPolarHBondContact O-CG2 3.45Å; W230-T234 PolarHBondContact O-N 3.05Å; W230-T234 PolarHBondContact O-OG1 3.15Å
231	F	84.5	Confident	71.1	Confident	109 Å²	109	92.7 Å²	92.7	48%	0.478	50%	0.502	S	S	.	.	H	α-helix	trans	-68.8	-45	176.5	-173.3	-95.3	0	0	0	111.5	F227 C228 T234 V235	F227-F231 WeakPolarHBondContact O-CB 3.44Å; F227-F231 PolarHBondContact O-N 3.14Å; C228-F231 PolarHBondContact O-N 3.48Å; F231-T234 WeakPolarHBondContact CA-OG1 3.28Å; F231-T234 PolarHBondContact O-N 3.07Å; F231-T234 PolarHBondContact O-OG1 2.92Å; F231-V235 HydrophobicContact CD1-CG2 4.15Å; F231-V235 HydrophobicContact CE1-CG2 3.82Å; F231-V235 HydrophobicContact CE2-CG2 4.49Å; F231-V235 HydrophobicContact CZ-CG2 4.01Å; F231-V235 WeakPolarHBondContact O-CB 3.45Å; F231-V235 VanDerWaalsContact O-CG2 3.31Å; F231-V235 WeakPolarHBondContact O-CG2 3.4Å; F231-V235 PolarHBondContact O-N 3.04Å
232	F	76.5	Confident	70.7	Confident	139 Å²	139	93.5 Å²	93.5	61%	0.61	50%	0.503	S	S	*	.	H	α-helix	trans	-64.7	-40.1	174.3	-98.3	-88.1	0	0	0	112	C228 V235 M236	C228-F232 WeakPolarHBondContact O-CB 3.2Å; C228-F232 PolarHBondContact O-N 3.08Å; F232-V235 PolarHBondContact O-N 3.41Å; F232-M236 VanDerWaalsContact O-CB 3.26Å; F232-M236 WeakPolarHBondContact O-CB 3.47Å; F232-M236 VanDerWaalsContact O-CG 3.3Å; F232-M236 WeakPolarHBondContact O-CG 3.25Å; F232-M236 PolarHBondContact O-N 2.7Å
233	A	77.8	Confident	69.8	Low	54 Å²	54	97.8 Å²	97.8	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-63.6	-41.3	176	0	0	0	0	0	111.4	I229 L237	I229-A233 WeakPolarHBondContact O-CB 3.32Å; I229-A233 PolarHBondContact O-N 2.86Å; A233-L237 VanDerWaalsContact O-CB 3.25Å; A233-L237 WeakPolarHBondContact O-CB 3.38Å; A233-L237 PolarHBondContact O-N 2.91Å
234	T	76.4	Confident	68.5	Low	49 Å²	49	96.8 Å²	96.8	30%	0.301	51%	0.51	S	S	.	.	H	α-helix	trans	-73.1	-36	178.6	46.3	0	0	0	0	113.1	W230 F231 R238	W230-T234 HydrophobicContact CD2-CG2 4.36Å; W230-T234 HydrophobicContact CZ2-CG2 4.13Å; W230-T234 WeakPolarHBondContact O-CB 3.45Å; W230-T234 WeakPolarHBondContact O-CG2 3.45Å; W230-T234 PolarHBondContact O-N 3.05Å; W230-T234 PolarHBondContact O-OG1 3.15Å; F231-T234 WeakPolarHBondContact CA-OG1 3.28Å; F231-T234 PolarHBondContact O-N 3.07Å; F231-T234 PolarHBondContact O-OG1 2.92Å; T234-R238 WeakPolarHBondContact O-CB 3.31Å; T234-R238 PolarHBondContact O-N 3.43Å
235	V	77.9	Confident	67	Low	70 Å²	70	99.3 Å²	99.3	42%	0.424	52%	0.52	S	S	.	.	H	α-helix	trans	-67.2	-43.9	172.7	171.8	0	0	0	0	110.9	F231 F232 R238 A239	F231-V235 HydrophobicContact CD1-CG2 4.15Å; F231-V235 HydrophobicContact CE1-CG2 3.82Å; F231-V235 HydrophobicContact CE2-CG2 4.49Å; F231-V235 HydrophobicContact CZ-CG2 4.01Å; F231-V235 WeakPolarHBondContact O-CB 3.45Å; F231-V235 VanDerWaalsContact O-CG2 3.31Å; F231-V235 WeakPolarHBondContact O-CG2 3.4Å; F231-V235 PolarHBondContact O-N 3.04Å; F232-V235 PolarHBondContact O-N 3.41Å; V235-R238 PolarHBondContact O-N 2.86Å; V235-A239 WeakPolarHBondContact O-CB 3.42Å; V235-A239 PolarHBondContact O-N 3.24Å
236	M	72	Confident	65.7	Low	123 Å²	123	104.9 Å²	104.9	61%	0.606	54%	0.541	S	S	*	.	H	α-helix	trans	-64.2	-41.4	174.7	-77	-65.8	-164.4	0	0	111.6	F232 R238 A239 S240	F232-M236 VanDerWaalsContact O-CB 3.26Å; F232-M236 WeakPolarHBondContact O-CB 3.47Å; F232-M236 VanDerWaalsContact O-CG 3.3Å; F232-M236 WeakPolarHBondContact O-CG 3.25Å; F232-M236 PolarHBondContact O-N 2.7Å; M236-R238 VanDerWaalsContact C-N 3.33Å; M236-R238 PolarHBondContact O-N 3.41Å; M236-A239 PolarHBondContact O-N 3.24Å; M236-S240 WeakPolarHBondContact O-CB 3.25Å; M236-S240 PolarHBondContact O-N 2.93Å; M236-S240 PolarHBondContact O-OG 2.71Å; M236-S240 VanDerWaalsContact O-OG 3.05Å
237	L	66	Low	64	Low	125 Å²	125	107 Å²	107	65%	0.654	55%	0.547	S	S	*	.	H	α-helix	trans	-64.1	-39.8	176.1	-148.2	83.5	0	0	0	111.3	A233 V241	A233-L237 VanDerWaalsContact O-CB 3.25Å; A233-L237 WeakPolarHBondContact O-CB 3.38Å; A233-L237 PolarHBondContact O-N 2.91Å; L237-V241 WeakPolarHBondContact O-CB 3.16Å; L237-V241 WeakPolarHBondContact O-CG2 3.33Å; L237-V241 PolarHBondContact O-N 2.62Å
238	R	60.6	Low	62.1	Low	187 Å²	187	104.8 Å²	104.8	71%	0.706	56%	0.562	S	S	*	*	H	α-helix	trans	-66.8	-45.1	174.8	-85.6	-171.3	177.8	-169.1	-0.8	112.3	T234 V235 M236 S240 V241 E242	T234-R238 WeakPolarHBondContact O-CB 3.31Å; T234-R238 PolarHBondContact O-N 3.43Å; V235-R238 PolarHBondContact O-N 2.86Å; M236-R238 VanDerWaalsContact C-N 3.33Å; M236-R238 PolarHBondContact O-N 3.41Å; R238-S240 VanDerWaalsContact C-N 3.32Å; R238-S240 PolarHBondContact O-N 3.28Å; R238-V241 PolarHBondContact O-N 2.66Å; R238-V241 VanDerWaalsContact O-N 3.13Å; R238-E242 PolarHBondContact O-N 3.34Å
239	A	56.6	Low	60.1	Low	44 Å²	44	105 Å²	105	36%	0.364	56%	0.563	S	S	.	*	H	α-helix	trans	-61	-43.2	176.7	0	0	0	0	0	110.8	V235 M236 V241 E242 E243	V235-A239 WeakPolarHBondContact O-CB 3.42Å; V235-A239 PolarHBondContact O-N 3.24Å; M236-A239 PolarHBondContact O-N 3.24Å; A239-V241 VanDerWaalsContact C-N 3.32Å; A239-V241 PolarHBondContact O-N 3.16Å; A239-E242 PolarHBondContact O-N 3.48Å; A239-E243 VanDerWaalsContact O-CB 3.25Å; A239-E243 WeakPolarHBondContact O-CB 3.44Å; A239-E243 PolarHBondContact O-N 3.23Å
240	S	53.6	Low	58.3	Low	72 Å²	72	103.2 Å²	103.2	50%	0.503	55%	0.55	S	S	.	.	H	α-helix	trans	-65	-33.2	174.5	-63.7	0	0	0	0	113.1	M236 R238 S244	M236-S240 WeakPolarHBondContact O-CB 3.25Å; M236-S240 PolarHBondContact O-N 2.93Å; M236-S240 PolarHBondContact O-OG 2.71Å; M236-S240 VanDerWaalsContact O-OG 3.05Å; R238-S240 VanDerWaalsContact C-N 3.32Å; R238-S240 PolarHBondContact O-N 3.28Å; S240-S244 WeakPolarHBondContact O-CB 3.49Å; S240-S244 PolarHBondContact O-N 3.45Å; S240-S244 VanDerWaalsContact O-N 3.12Å; S240-S244 PolarHBondContact O-OG 2.93Å
241	V	51	Low	56.4	Low	76 Å²	76	99.7 Å²	99.7	46%	0.461	54%	0.543	S	S	.	.	H	α-helix	trans	-73.2	-42.8	175	170.1	0	0	0	0	111.3	L237 R238 A239 S244 L245	L237-V241 WeakPolarHBondContact O-CB 3.16Å; L237-V241 WeakPolarHBondContact O-CG2 3.33Å; L237-V241 PolarHBondContact O-N 2.62Å; R238-V241 PolarHBondContact O-N 2.66Å; R238-V241 VanDerWaalsContact O-N 3.13Å; A239-V241 VanDerWaalsContact C-N 3.32Å; A239-V241 PolarHBondContact O-N 3.16Å; V241-S244 WeakPolarHBondContact CA-OG 3.3Å; V241-S244 PolarHBondContact O-N 3.31Å; V241-S244 PolarHBondContact O-OG 2.87Å; V241-L245 HydrophobicContact CG1-CD1 4.33Å; V241-L245 WeakPolarHBondContact O-CG 3.32Å; V241-L245 PolarHBondContact O-N 2.76Å
242	E	51.4	Low	54.4	Low	130 Å²	130	97.2 Å²	97.2	61%	0.607	53%	0.532	S	S	*	.	H	α-helix	trans	-66.2	-41.2	177.4	-81.4	168.8	170.2	0	0	111.6	R238 A239 S244 L245 E246	R238-E242 PolarHBondContact O-N 3.34Å; A239-E242 PolarHBondContact O-N 3.48Å; E242-S244 PolarHBondContact O-N 3.17Å; E242-L245 PolarHBondContact O-N 3.32Å; E242-E246 PolarHBondContact O-N 3.25Å
243	E	47.3	Very low	52.9	Low	145 Å²	145	94.5 Å²	94.5	68%	0.678	53%	0.531	S	S	*	.	H	α-helix	trans	-66.6	-28.4	174.7	-158.8	170.1	-151	0	0	111.8	A239 L245 T247	A239-E243 VanDerWaalsContact O-CB 3.25Å; A239-E243 WeakPolarHBondContact O-CB 3.44Å; A239-E243 PolarHBondContact O-N 3.23Å; E243-L245 VanDerWaalsContact C-N 3.31Å; E243-L245 PolarHBondContact O-N 2.97Å; E243-T247 PolarHBondContact O-OG1 3.42Å
244	S	42.5	Very low	50.9	Low	58 Å²	58	101.1 Å²	101.1	41%	0.406	54%	0.544	S	S	.	.	H	α-helix	trans	-75.3	-15.4	171.7	75.1	0	0	0	0	114.4	S240 V241 E242	S240-S244 WeakPolarHBondContact O-CB 3.49Å; S240-S244 PolarHBondContact O-N 3.45Å; S240-S244 VanDerWaalsContact O-N 3.12Å; S240-S244 PolarHBondContact O-OG 2.93Å; V241-S244 WeakPolarHBondContact CA-OG 3.3Å; V241-S244 PolarHBondContact O-N 3.31Å; V241-S244 PolarHBondContact O-OG 2.87Å; E242-S244 PolarHBondContact O-N 3.17Å
245	L	42.3	Very low	49.3	Very low	133 Å²	133	99.1 Å²	99.1	70%	0.696	53%	0.532	S	S	*	.	H	α-helix	trans	-93.2	-24.3	178.6	-73.7	170.3	0	0	0	113.4	V241 E242 E243	V241-L245 HydrophobicContact CG1-CD1 4.33Å; V241-L245 WeakPolarHBondContact O-CG 3.32Å; V241-L245 PolarHBondContact O-N 2.76Å; E242-L245 PolarHBondContact O-N 3.32Å; E243-L245 VanDerWaalsContact C-N 3.31Å; E243-L245 PolarHBondContact O-N 2.97Å
246	E	43.3	Very low	47.8	Very low	184 Å²	184	99 Å²	99	86%	0.86	53%	0.526	S	S	*	.	H	α-helix	trans	-89.4	-16.1	178.4	-74.4	-168.9	161.5	0	0	114.2	E242	E242-E246 PolarHBondContact O-N 3.25Å
247	T	42.5	Very low	46.5	Very low	77 Å²	77	98.3 Å²	98.3	47%	0.472	54%	0.54	S	S	.	.	S	Bend	trans	-83.4	134.5	165.5	57.6	0	0	0	0	108.3	E243 S249	E243-T247 PolarHBondContact O-OG1 3.42Å; T247-S249 PolarHBondContact O-N 3.4Å
248	G	39.1	Very low	45.7	Very low	85 Å²	85	95.6 Å²	95.6	88%	0.876	54%	0.542	S	S	*	.			trans	-61.9	71.9	173.4	0	0	0	0	0	111.2	Y250	G248-Y250 PolarHBondContact O-N 3.19Å
249	S	40.1	Very low	45.5	Very low	69 Å²	69	89.1 Å²	89.1	48%	0.483	52%	0.521	S	S	.	.			trans	-73.5	103.2	178.9	160.5	0	0	0	0	106.7	T247 D251	T247-S249 PolarHBondContact O-N 3.4Å; S249-D251 PolarHBondContact O-N 3.06Å
250	Y	42.6	Very low	46.9	Very low	82 Å²	82	90.4 Å²	90.4	32%	0.322	52%	0.522	S	S	.	.			trans	-61.5	104.4	172.7	-174.1	-96.9	0	0	0	108.9	G248 H252 N259 Y263	G248-Y250 PolarHBondContact O-N 3.19Å; Y250-H252 PolarHBondContact O-N 2.88Å; Y250-N259 PolarHBondContact OH-ND2 3.06Å; Y250-Y263 AromaticContact CE1-CD2 3.93Å; Y250-Y263 HydrophobicContact CE1-CD2 3.93Å; Y250-Y263 HydrophobicContact CE2-CD2 4.25Å; Y250-Y263 HydrophobicContact CE2-CE2 4.14Å; Y250-Y263 AromaticContact CZ-CD2 3.46Å; Y250-Y263 VanDerWaalsContact CZ-CD2 3.46Å; Y250-Y263 AromaticContact CZ-CE2 3.71Å; Y250-Y263 WeakPolarHBondContact OH-CD2 3.04Å; Y250-Y263 WeakPolarHBondContact OH-CE2 3.48Å
251	D	40.7	Very low	49	Very low	83 Å²	83	87.1 Å²	87.1	44%	0.444	50%	0.499	S	S	.	.			trans	-71.1	110.5	178.5	179.3	-0.4	0	0	0	109.9	S249 S253 R254	S249-D251 PolarHBondContact O-N 3.06Å; D251-S253 PolarHBondContact O-N 2.98Å; D251-S253 VanDerWaalsContact OD1-CB 3.25Å; D251-S253 WeakPolarHBondContact OD1-CB 3.28Å; D251-S253 PolarHBondContact OD1-N 2.87Å; D251-S253 PolarHBondContact OD1-OG 3.23Å; D251-S253 PolarHBondContact OD2-OG 2.96Å; D251-R254 PolarHBondContact O-N 2.68Å
252	H	43.2	Very low	51.2	Low	56 Å²	56	83.5 Å²	83.5	26%	0.259	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-54.5	-22.1	177.7	-71.4	-79.4	0	0	0	113	Y250 R254 T255 D264 Y416	Y250-H252 PolarHBondContact O-N 2.88Å; H252-R254 PolarHBondContact O-N 2.96Å; H252-T255 PolarHBondContact O-N 3.23Å; H252-T255 PolarHBondContact O-OG1 2.93Å; H252-D264 IonicContact CE1-OD1 3.09Å; H252-D264 PolarHBondContact CE1-OD1 2.93Å; H252-D264 IonicContact CE1-OD2 3.77Å; H252-D264 IonicContact ND1-OD1 2.71Å; H252-D264 IonicContact ND1-OD2 3.32Å; H252-D264 PolarHBondContact ND1-OD2 3.22Å; H252-Y416 AromaticContact CE1-CD2 3.69Å; H252-Y416 AromaticContact CE1-CE2 3.23Å; H252-Y416 WeakPolarHBondContact CE1-CE2 3.03Å; H252-Y416 AromaticContact NE2-CD2 3.77Å; H252-Y416 AromaticContact NE2-CE2 3.24Å; H252-Y416 WeakPolarHBondContact NE2-CE2 3.42Å; H252-Y416 AromaticContact NE2-CZ 3.93Å
253	S	43.6	Very low	53.5	Low	82 Å²	82	78 Å²	78	57%	0.573	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-70.5	-17.3	178.4	78	0	0	0	0	113.6	D251 T255	D251-S253 PolarHBondContact O-N 2.98Å; D251-S253 VanDerWaalsContact OD1-CB 3.25Å; D251-S253 WeakPolarHBondContact OD1-CB 3.28Å; D251-S253 PolarHBondContact OD1-N 2.87Å; D251-S253 PolarHBondContact OD1-OG 3.23Å; D251-S253 PolarHBondContact OD2-OG 2.96Å; S253-T255 VanDerWaalsContact C-N 3.27Å; S253-T255 PolarHBondContact O-N 3.3Å
254	R	37.2	Very low	55.9	Low	193 Å²	193	71.7 Å²	71.7	73%	0.728	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-80.2	3.5	177.6	-83.2	-170.1	176.1	-177.3	0.9	115.2	D251 H252 F256	D251-R254 PolarHBondContact O-N 2.68Å; H252-R254 PolarHBondContact O-N 2.96Å; R254-F256 PolarHBondContact O-N 3.08Å
255	T	41.4	Very low	58.6	Low	8 Å²	8	68.9 Å²	68.9	5%	0.049	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-62.8	-24.9	178.4	38.1	0	0	0	0	113.5	H252 S253	H252-T255 PolarHBondContact O-N 3.23Å; H252-T255 PolarHBondContact O-OG1 2.93Å; S253-T255 VanDerWaalsContact C-N 3.27Å; S253-T255 PolarHBondContact O-N 3.3Å
256	F	46.7	Very low	61.3	Low	68 Å²	68	62.6 Å²	62.6	30%	0.298	37%	0.369	S	S	.	.	S	Bend	trans	-99.2	-20.3	-161.5	-65.2	-72.6	0	0	0	117.8	R254 N604 Q607 R608	R254-F256 PolarHBondContact O-N 3.08Å; F256-N604 HydrophobicContact CD1-CB 4.44Å; F256-N604 HydrophobicContact CE1-CB 3.66Å; F256-N604 VanDerWaalsContact CE1-O 3.25Å; F256-N604 WeakPolarHBondContact CE1-O 3.49Å; F256-Q607 HydrophobicContact CZ-CB 4.27Å; F256-Q607 HydrophobicContact CZ-CG 4.36Å; F256-R608 HydrophobicContact CD1-CG 3.58Å; F256-R608 HydrophobicContact CD2-CG 4.17Å; F256-R608 HydrophobicContact CE1-CG 3.53Å; F256-R608 HydrophobicContact CE2-CG 4.14Å; F256-R608 HydrophobicContact CG-CG 3.9Å; F256-R608 HydrophobicContact CZ-CG 3.84Å
257	A	45.2	Very low	63.9	Low	108 Å²	108	53.8 Å²	53.8	89%	0.893	33%	0.328	S	S	*	.	S	Bend	trans	-103	-8.1	-169.2	0	0	0	0	0	115.3
258	G	48	Very low	66.6	Low	68 Å²	68	50.1 Å²	50.1	70%	0.701	31%	0.305	S	S	*	.	S	Bend	trans	-163.5	-2	-178.2	0	0	0	0	0	117.2
259	N	58	Low	69.5	Low	51 Å²	51	46.1 Å²	46.1	27%	0.273	26%	0.264	S	S	.	.			trans	-100.5	116.8	177.2	-77.1	-33.4	0	0	0	110.3	Y250 V261	Y250-N259 PolarHBondContact OH-ND2 3.06Å; N259-V261 PolarHBondContact O-N 2.84Å; N259-V261 VanDerWaalsContact O-N 3.1Å
260	D	86.2	Confident	72.3	Confident	71 Å²	71	42.8 Å²	42.8	38%	0.38	24%	0.241	S	C	.	.	S	Bend	trans	-71.7	11.3	172.9	-168	32.1	0	0	0	113	R597	D260-R597 PolarHBondContact O-NH1 3.06Å; D260-R597 IonicContact OD1-CZ 3.95Å; D260-R597 IonicContact OD1-NH1 3.65Å; D260-R597 PolarHBondContact OD1-NH1 2.8Å; D260-R597 IonicContact OD1-NH2 2.95Å; D260-R597 PolarHBondContact OD1-NH2 3.31Å
261	V	97.3	Very high	74.9	Confident	2 Å²	2	39 Å²	39	1%	0.012	23%	0.226	C	C	.	.	S	Bend	trans	-143	153.2	-177.3	-63	0	0	0	0	111	N259 Y263 R339 G342 I343 L379	N259-V261 PolarHBondContact O-N 2.84Å; N259-V261 VanDerWaalsContact O-N 3.1Å; V261-Y263 HydrophobicContact CG2-CD2 4.48Å; V261-Y263 HydrophobicContact CG2-CE1 4.07Å; V261-Y263 HydrophobicContact CG2-CE2 3.96Å; V261-R339 HydrophobicContact CG1-CG 4.29Å; V261-G342 CarbonylContact C-O 3.52Å; V261-G342 WeakPolarHBondContact CA-O 3.13Å; V261-I343 WeakPolarHBondContact CG1-O 3.49Å; V261-L379 HydrophobicContact CG1-CD2 4.02Å
262	D	97.6	Very high	77.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	109.5	174.5	-174.9	-11.7	0	0	0	110.3	D264 V265 G342 G344 I600 K603 N604	D262-D264 PolarHBondContact O-N 3.09Å; D262-D264 WeakPolarHBondContact OD1-CB 3.38Å; D262-D264 PolarHBondContact OD1-N 3.33Å; D262-V265 HydrophobicContact CB-CB 4.25Å; D262-V265 HydrophobicContact CB-CG2 3.98Å; D262-V265 PolarHBondContact O-N 3.1Å; D262-V265 VanDerWaalsContact O-N 3.07Å; D262-V265 WeakPolarHBondContact OD2-CG2 3.46Å; D262-G342 PolarHBondContact N-O 2.88Å; D262-G344 VanDerWaalsContact O-CA 3.25Å; D262-G344 WeakPolarHBondContact O-CA 3.5Å; D262-G344 PolarHBondContact O-N 2.81Å; D262-I600 HydrophobicContact CB-CG2 3.62Å; D262-K603 IonicContact OD1-NZ 3.45Å; D262-K603 WeakPolarHBondContact OD2-CD 3.35Å; D262-K603 WeakPolarHBondContact OD2-CE 3.33Å; D262-K603 IonicContact OD2-NZ 2.71Å; D262-K603 PolarHBondContact OD2-NZ 3.04Å; D262-N604 PolarHBondContact OD2-OD1 3.32Å; D262-N604 VanDerWaalsContact OD2-OD1 3.04Å
263	Y	98.2	Very high	80.3	Confident	15 Å²	15	33.8 Å²	33.8	6%	0.059	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-7.6	-178.6	-61.5	-79.8	0	0	0	114	Y250 V261 V265 H266 G344 T345 K378 K380 Y414	Y250-Y263 AromaticContact CE1-CD2 3.93Å; Y250-Y263 HydrophobicContact CE1-CD2 3.93Å; Y250-Y263 HydrophobicContact CE2-CD2 4.25Å; Y250-Y263 HydrophobicContact CE2-CE2 4.14Å; Y250-Y263 AromaticContact CZ-CD2 3.46Å; Y250-Y263 VanDerWaalsContact CZ-CD2 3.46Å; Y250-Y263 AromaticContact CZ-CE2 3.71Å; Y250-Y263 WeakPolarHBondContact OH-CD2 3.04Å; Y250-Y263 WeakPolarHBondContact OH-CE2 3.48Å; V261-Y263 HydrophobicContact CG2-CD2 4.48Å; V261-Y263 HydrophobicContact CG2-CE1 4.07Å; V261-Y263 HydrophobicContact CG2-CE2 3.96Å; Y263-V265 VanDerWaalsContact C-N 3.34Å; Y263-H266 PolarHBondContact O-CD2 3.45Å; Y263-H266 PolarHBondContact O-NE2 2.84Å; Y263-H266 VanDerWaalsContact O-NE2 3.08Å; Y263-G344 VanDerWaalsContact CD1-O 3.29Å; Y263-G344 WeakPolarHBondContact CD1-O 3.3Å; Y263-T345 PolarHBondContact O-OG1 3.09Å; Y263-K378 WeakPolarHBondContact CE1-O 3.21Å; Y263-K378 PolarHBondContact OH-O 2.86Å; Y263-K380 HydrophobicContact CD1-CB 4.14Å; Y263-K380 HydrophobicContact CD1-CG 3.51Å; Y263-K380 HydrophobicContact CE1-CB 4.45Å; Y263-K380 HydrophobicContact CE1-CG 3.58Å; Y263-Y414 WeakPolarHBondContact O-CE2 3.44Å; Y263-Y414 PolarHBondContact O-OH 3.49Å
264	D	98	Very high	82.9	Confident	12 Å²	12	29.9 Å²	29.9	6%	0.064	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	1.5	171.4	-61	-33.3	0	0	0	111.1	H252 D262 F553 I554	H252-D264 IonicContact CE1-OD1 3.09Å; H252-D264 PolarHBondContact CE1-OD1 2.93Å; H252-D264 IonicContact CE1-OD2 3.77Å; H252-D264 IonicContact ND1-OD1 2.71Å; H252-D264 IonicContact ND1-OD2 3.32Å; H252-D264 PolarHBondContact ND1-OD2 3.22Å; D262-D264 PolarHBondContact O-N 3.09Å; D262-D264 WeakPolarHBondContact OD1-CB 3.38Å; D262-D264 PolarHBondContact OD1-N 3.33Å; D264-F553 HydrophobicContact CB-CD1 4.03Å; D264-F553 VanDerWaalsContact O-CA 3.29Å; D264-F553 WeakPolarHBondContact O-CA 3.45Å; D264-I554 PolarHBondContact O-N 3.43Å; D264-I554 VanDerWaalsContact O-N 3.14Å
265	V	98.8	Very high	85.9	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.9	167.9	178.7	0	0	0	0	109.6	D262 Y263 I343 G344 T345 W543 I554 I556 I600 K603	D262-V265 HydrophobicContact CB-CB 4.25Å; D262-V265 HydrophobicContact CB-CG2 3.98Å; D262-V265 PolarHBondContact O-N 3.1Å; D262-V265 VanDerWaalsContact O-N 3.07Å; D262-V265 WeakPolarHBondContact OD2-CG2 3.46Å; Y263-V265 VanDerWaalsContact C-N 3.34Å; V265-I343 HydrophobicContact CG1-CG1 4.47Å; V265-G344 PolarHBondContact O-N 2.99Å; V265-T345 PolarHBondContact O-N 2.92Å; V265-W543 HydrophobicContact CG1-CH2 3.88Å; V265-W543 HydrophobicContact CG2-CH2 4.37Å; V265-I554 CarbonylContact C-O 3.54Å; V265-I554 WeakPolarHBondContact CA-O 3.42Å; V265-I556 HydrophobicContact CG1-CD1 4.17Å; V265-I600 HydrophobicContact CB-CD1 4.02Å; V265-I600 HydrophobicContact CB-CG1 4.4Å; V265-I600 HydrophobicContact CG1-CD1 3.62Å; V265-I600 HydrophobicContact CG1-CG1 4.06Å; V265-I600 HydrophobicContact CG2-CD1 4.23Å; V265-I600 HydrophobicContact CG2-CG1 4.07Å; V265-K603 HydrophobicContact CG2-CD 3.81Å
266	H	98.9	Very high	88.6	Confident	0 Å²	0	24 Å²	24	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.1	-170.7	-68.4	-169.9	0	0	0	110.1	Y263 T345 V347 Y414 Y423 F553 I554 S555 I556	Y263-H266 PolarHBondContact O-CD2 3.45Å; Y263-H266 PolarHBondContact O-NE2 2.84Å; Y263-H266 VanDerWaalsContact O-NE2 3.08Å; H266-T345 CarbonylContact C-O 3.55Å; H266-T345 VanDerWaalsContact CA-O 3.28Å; H266-T345 WeakPolarHBondContact CA-O 3.46Å; H266-T345 WeakPolarHBondContact CD2-CB 3.15Å; H266-V347 HydrophobicContact CB-CG2 3.74Å; H266-Y414 AromaticContact CE1-CE1 3.59Å; H266-Y414 AromaticContact CE1-CZ 3.92Å; H266-Y414 AromaticContact NE2-CE1 3.65Å; H266-Y414 AromaticContact NE2-CZ 3.49Å; H266-Y414 PolarHBondContact NE2-OH 3.31Å; H266-Y423 PolarHBondContact CE1-OH 3Å; H266-Y423 AromaticContact ND1-CE2 3.66Å; H266-Y423 AromaticContact ND1-CZ 3.56Å; H266-Y423 PolarHBondContact ND1-OH 3.31Å; H266-F553 AromaticContact CE1-CD1 3.97Å; H266-F553 AromaticContact CE1-CD2 3.8Å; H266-F553 AromaticContact CE1-CE2 3.96Å; H266-F553 AromaticContact CE1-CG 3.82Å; H266-F553 AromaticContact NE2-CD1 3.92Å; H266-I554 PolarHBondContact N-O 3.17Å; H266-S555 CarbonylContact O-C 3.5Å; H266-S555 WeakPolarHBondContact O-CA 3.46Å; H266-I556 PolarHBondContact O-N 3.31Å
267	A	99	Very high	91	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.9	172.6	0	0	0	0	0	111.2	Y269 M338 I343 T345 V347 I556 F559	A267-Y269 PolarHBondContact O-N 3.45Å; A267-M338 HydrophobicContact CB-SD 4.4Å; A267-I343 HydrophobicContact CB-CD1 3.95Å; A267-I343 HydrophobicContact CB-CG2 3.91Å; A267-T345 PolarHBondContact N-O 2.75Å; A267-V347 PolarHBondContact O-N 2.93Å; A267-I556 HydrophobicContact CB-CB 4.16Å; A267-I556 HydrophobicContact CB-CD1 4.42Å; A267-F559 HydrophobicContact CB-CB 4.37Å
268	F	99	Very high	93.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	129.2	174.4	-62.6	-65.7	0	0	0	110	Y270 V347 M384 Y423 F478 Y480 S512 I556 T557 F559	F268-Y270 HydrophobicContact CB-CE2 3.85Å; F268-V347 CarbonylContact C-O 3.33Å; F268-V347 WeakPolarHBondContact CA-O 3.4Å; F268-V347 HydrophobicContact CD1-CB 3.74Å; F268-V347 HydrophobicContact CD1-CG1 3.74Å; F268-V347 HydrophobicContact CD1-CG2 4.43Å; F268-V347 HydrophobicContact CE1-CB 4.15Å; F268-V347 HydrophobicContact CE1-CG1 3.84Å; F268-M384 HydrophobicContact CD1-CB 4.43Å; F268-M384 HydrophobicContact CD1-CE 4.16Å; F268-M384 HydrophobicContact CD1-SD 3.64Å; F268-M384 HydrophobicContact CE1-SD 3.66Å; F268-M384 HydrophobicContact CG-SD 4.45Å; F268-M384 HydrophobicContact CZ-SD 4.48Å; F268-Y423 AromaticContact CE1-CD1 3.7Å; F268-Y423 HydrophobicContact CE1-CD1 3.7Å; F268-Y423 HydrophobicContact CE1-CE1 4.13Å; F268-Y423 HydrophobicContact CE1-CG 4.02Å; F268-Y423 AromaticContact CZ-CD1 3.78Å; F268-Y423 HydrophobicContact CZ-CD1 3.78Å; F268-Y423 AromaticContact CZ-CE1 3.95Å; F268-Y423 HydrophobicContact CZ-CE1 3.95Å; F268-F478 HydrophobicContact CE1-CE2 4.43Å; F268-F478 HydrophobicContact CE2-CD2 4.45Å; F268-F478 AromaticContact CZ-CD2 3.7Å; F268-F478 HydrophobicContact CZ-CD2 3.7Å; F268-F478 AromaticContact CZ-CE2 3.95Å; F268-F478 HydrophobicContact CZ-CE2 3.95Å; F268-Y480 AromaticContact CD2-CD2 3.98Å; F268-Y480 HydrophobicContact CD2-CD2 3.98Å; F268-Y480 AromaticContact CD2-CE2 3.99Å; F268-Y480 HydrophobicContact CD2-CE2 3.99Å; F268-Y480 AromaticContact CE2-CD2 3.78Å; F268-Y480 HydrophobicContact CE2-CD2 3.78Å; F268-Y480 HydrophobicContact CE2-CE2 4.26Å; F268-Y480 HydrophobicContact CG-CE2 4.33Å; F268-Y480 HydrophobicContact CZ-CD2 4.28Å; F268-S512 WeakPolarHBondContact CE2-OG 3.2Å; F268-I556 VanDerWaalsContact CD2-O 3.32Å; F268-I556 WeakPolarHBondContact CD2-O 3.27Å; F268-I556 PolarHBondContact N-O 3.13Å; F268-T557 WeakPolarHBondContact CD2-OG1 3.21Å; F268-T557 WeakPolarHBondContact CE2-OG1 3.27Å; F268-F559 WeakPolarHBondContact O-CB 3.2Å; F268-F559 PolarHBondContact O-N 3.34Å
269	Y	99	Very high	95.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.4	-171.2	-179.2	-123.5	0	0	0	111.1	A267 V271 H334 M335 M338 V346 V347 V348 S349 V370 F559 N560	A267-Y269 PolarHBondContact O-N 3.45Å; Y269-V271 HydrophobicContact CD1-CG1 3.97Å; Y269-V271 HydrophobicContact CE1-CG1 3.52Å; Y269-H334 HydrophobicContact CE2-CB 4.13Å; Y269-H334 AromaticContact CE2-ND1 3.31Å; Y269-H334 VanDerWaalsContact CE2-ND1 3.31Å; Y269-H334 WeakPolarHBondContact CE2-ND1 3.42Å; Y269-H334 AromaticContact CZ-ND1 3.51Å; Y269-H334 PolarHBondContact OH-ND1 2.8Å; Y269-M335 HydrophobicContact CD1-CE 4.2Å; Y269-M335 HydrophobicContact CE1-CE 3.79Å; Y269-M338 HydrophobicContact CD2-CE 4.44Å; Y269-M338 HydrophobicContact CG-CE 4.49Å; Y269-V346 VanDerWaalsContact CB-CG1 3.45Å; Y269-V346 HydrophobicContact CD1-CG1 3.69Å; Y269-V346 HydrophobicContact CG-CG1 3.78Å; Y269-V347 PolarHBondContact N-O 3.3Å; Y269-V348 HydrophobicContact CD1-CG2 4.3Å; Y269-V348 WeakPolarHBondContact O-CA 3.28Å; Y269-S349 PolarHBondContact O-N 3.19Å; Y269-V370 HydrophobicContact CE1-CG1 4.5Å; Y269-V370 HydrophobicContact CE1-CG2 4.17Å; Y269-F559 HydrophobicContact CD2-CB 4.32Å; Y269-F559 AromaticContact CD2-CD1 3.64Å; Y269-F559 HydrophobicContact CD2-CD1 3.64Å; Y269-F559 HydrophobicContact CD2-CE1 4.42Å; Y269-F559 HydrophobicContact CD2-CG 4.32Å; Y269-F559 AromaticContact CE2-CD1 3.84Å; Y269-F559 HydrophobicContact CE2-CD1 3.84Å; Y269-F559 HydrophobicContact CE2-CE1 4.21Å; Y269-N560 WeakPolarHBondContact CD2-OD1 3.15Å
270	Y	98.8	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.			trans	-108.5	109.7	-169.1	-64.8	-83.3	0	0	0	110.5	F268 W272 S349 M384 Y480 N560 E561	F268-Y270 HydrophobicContact CB-CE2 3.85Å; Y270-W272 AromaticContact CD1-CD2 3.67Å; Y270-W272 HydrophobicContact CD1-CD2 3.67Å; Y270-W272 AromaticContact CD1-CE2 3.37Å; Y270-W272 AromaticContact CD1-CE3 3.7Å; Y270-W272 HydrophobicContact CD1-CE3 3.7Å; Y270-W272 AromaticContact CD1-CH2 3.21Å; Y270-W272 HydrophobicContact CD1-CH2 3.21Å; Y270-W272 AromaticContact CD1-CZ2 3.17Å; Y270-W272 HydrophobicContact CD1-CZ2 3.17Å; Y270-W272 AromaticContact CD1-CZ3 3.47Å; Y270-W272 HydrophobicContact CD1-CZ3 3.47Å; Y270-W272 VanDerWaalsContact CD1-CZ3 3.47Å; Y270-W272 AromaticContact CD1-NE1 4Å; Y270-W272 AromaticContact CE1-CH2 3.27Å; Y270-W272 HydrophobicContact CE1-CH2 3.27Å; Y270-W272 AromaticContact CE1-CZ2 3.4Å; Y270-W272 HydrophobicContact CE1-CZ2 3.4Å; Y270-W272 VanDerWaalsContact CE1-CZ2 3.4Å; Y270-W272 AromaticContact CE1-CZ3 3.89Å; Y270-W272 HydrophobicContact CE1-CZ3 3.89Å; Y270-W272 HydrophobicContact CG-CD2 4.23Å; Y270-W272 HydrophobicContact CG-CE3 4.12Å; Y270-W272 HydrophobicContact CG-CH2 4.28Å; Y270-W272 HydrophobicContact CG-CZ2 4.38Å; Y270-W272 HydrophobicContact CG-CZ3 4.13Å; Y270-W272 PolarHBondContact O-N 2.98Å; Y270-S349 VanDerWaalsContact CD1-CB 3.5Å; Y270-M384 HydrophobicContact CE1-CE 3.94Å; Y270-M384 VanDerWaalsContact OH-CE 3.31Å; Y270-M384 WeakPolarHBondContact OH-CE 3.3Å; Y270-Y480 VanDerWaalsContact OH-CE2 3.26Å; Y270-Y480 WeakPolarHBondContact OH-CE2 3.44Å; Y270-Y480 PolarHBondContact OH-OH 3.3Å; Y270-N560 PolarHBondContact N-OD1 3.17Å; Y270-N560 PolarHBondContact O-ND2 2.88Å; Y270-E561 HydrophobicContact CD2-CB 3.62Å; Y270-E561 HydrophobicContact CD2-CG 4.07Å; Y270-E561 HydrophobicContact CE1-CG 4.38Å; Y270-E561 HydrophobicContact CE2-CB 3.62Å; Y270-E561 HydrophobicContact CE2-CG 3.99Å; Y270-E561 HydrophobicContact CG-CB 4.31Å; Y270-E561 HydrophobicContact CG-CG 4.35Å
271	V	98.6	Very high	98.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	14%	0.142	C	C	.	.			trans	-92.5	42.9	179.2	-69.8	0	0	0	0	111.9	Y269 V348 I366 V370	Y269-V271 HydrophobicContact CD1-CG1 3.97Å; Y269-V271 HydrophobicContact CE1-CG1 3.52Å; V271-V348 HydrophobicContact CG1-CG1 4.31Å; V271-V348 HydrophobicContact CG2-CG1 3.91Å; V271-I366 HydrophobicContact CB-CD1 4.33Å; V271-I366 HydrophobicContact CB-CG2 4.31Å; V271-I366 HydrophobicContact CG1-CG2 4.24Å; V271-V370 HydrophobicContact CG1-CG2 3.98Å
272	W	98.5	Very high	98.4	Very high	30 Å²	30	31.9 Å²	31.9	11%	0.114	15%	0.152	C	C	.	.			trans	-96.3	-30.3	-166.8	-70.2	-7.4	0	0	0	114.3	Y270 H284 S325 S349 Y351 E561	Y270-W272 AromaticContact CD1-CD2 3.67Å; Y270-W272 HydrophobicContact CD1-CD2 3.67Å; Y270-W272 AromaticContact CD1-CE2 3.37Å; Y270-W272 AromaticContact CD1-CE3 3.7Å; Y270-W272 HydrophobicContact CD1-CE3 3.7Å; Y270-W272 AromaticContact CD1-CH2 3.21Å; Y270-W272 HydrophobicContact CD1-CH2 3.21Å; Y270-W272 AromaticContact CD1-CZ2 3.17Å; Y270-W272 HydrophobicContact CD1-CZ2 3.17Å; Y270-W272 AromaticContact CD1-CZ3 3.47Å; Y270-W272 HydrophobicContact CD1-CZ3 3.47Å; Y270-W272 VanDerWaalsContact CD1-CZ3 3.47Å; Y270-W272 AromaticContact CD1-NE1 4Å; Y270-W272 AromaticContact CE1-CH2 3.27Å; Y270-W272 HydrophobicContact CE1-CH2 3.27Å; Y270-W272 AromaticContact CE1-CZ2 3.4Å; Y270-W272 HydrophobicContact CE1-CZ2 3.4Å; Y270-W272 VanDerWaalsContact CE1-CZ2 3.4Å; Y270-W272 AromaticContact CE1-CZ3 3.89Å; Y270-W272 HydrophobicContact CE1-CZ3 3.89Å; Y270-W272 HydrophobicContact CG-CD2 4.23Å; Y270-W272 HydrophobicContact CG-CE3 4.12Å; Y270-W272 HydrophobicContact CG-CH2 4.28Å; Y270-W272 HydrophobicContact CG-CZ2 4.38Å; Y270-W272 HydrophobicContact CG-CZ3 4.13Å; Y270-W272 PolarHBondContact O-N 2.98Å; W272-H284 AromaticContact CD2-CE1 3.75Å; W272-H284 AromaticContact CE3-CE1 3.83Å; W272-H284 AromaticContact CE3-ND1 3.7Å; W272-H284 AromaticContact CG-CE1 3.73Å; W272-H284 AromaticContact CG-NE2 3.99Å; W272-H284 PolarHBondContact O-CD2 3.02Å; W272-S325 PolarHBondContact N-OG 3.39Å; W272-S349 WeakPolarHBondContact CZ2-OG 3.4Å; W272-S349 PolarHBondContact NE1-OG 2.81Å; W272-Y351 AromaticContact NE1-CE2 3.83Å; W272-E561 HydrophobicContact CZ3-CG 4.12Å
273	Y	98.8	Very high	98.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.			trans	-77	145.2	-163.3	-57	-81.6	0	0	0	112.4	H284 W285 Y323 S325 N560 W562	Y273-H284 HydrophobicContact CD1-CB 3.64Å; Y273-H284 HydrophobicContact CE1-CB 3.84Å; Y273-H284 HydrophobicContact CG-CB 4.47Å; Y273-W285 AromaticContact CD1-CD2 3.74Å; Y273-W285 HydrophobicContact CD1-CD2 3.74Å; Y273-W285 AromaticContact CD1-CE2 3.49Å; Y273-W285 VanDerWaalsContact CD1-CE2 3.49Å; Y273-W285 AromaticContact CD1-CE3 3.88Å; Y273-W285 HydrophobicContact CD1-CE3 3.88Å; Y273-W285 HydrophobicContact CD1-CG 4.49Å; Y273-W285 AromaticContact CD1-CH2 3.54Å; Y273-W285 HydrophobicContact CD1-CH2 3.54Å; Y273-W285 AromaticContact CD1-CZ2 3.41Å; Y273-W285 HydrophobicContact CD1-CZ2 3.41Å; Y273-W285 VanDerWaalsContact CD1-CZ2 3.41Å; Y273-W285 AromaticContact CD1-CZ3 3.78Å; Y273-W285 HydrophobicContact CD1-CZ3 3.78Å; Y273-W285 HydrophobicContact CD2-CZ2 4.35Å; Y273-W285 HydrophobicContact CE1-CD2 4.43Å; Y273-W285 HydrophobicContact CE1-CE3 4.11Å; Y273-W285 AromaticContact CE1-CH2 3.8Å; Y273-W285 HydrophobicContact CE1-CH2 3.8Å; Y273-W285 HydrophobicContact CE1-CZ2 4.15Å; Y273-W285 AromaticContact CE1-CZ3 3.78Å; Y273-W285 HydrophobicContact CE1-CZ3 3.78Å; Y273-W285 AromaticContact CG-CE2 3.85Å; Y273-W285 AromaticContact CG-CH2 3.96Å; Y273-W285 HydrophobicContact CG-CH2 3.96Å; Y273-W285 AromaticContact CG-CZ2 3.53Å; Y273-W285 HydrophobicContact CG-CZ2 3.53Å; Y273-Y323 AromaticContact CD2-CE2 3.74Å; Y273-Y323 HydrophobicContact CD2-CE2 3.74Å; Y273-Y323 AromaticContact CG-CE2 3.98Å; Y273-Y323 HydrophobicContact CG-CE2 3.98Å; Y273-S325 PolarHBondContact N-OG 3.06Å; Y273-S325 PolarHBondContact O-N 2.91Å; Y273-N560 VanDerWaalsContact CE2-O 3.3Å; Y273-N560 WeakPolarHBondContact CE2-O 3.24Å; Y273-N560 PolarHBondContact OH-O 2.71Å; Y273-W562 HydrophobicContact CE1-CB 4.23Å; Y273-W562 AromaticContact CE1-CD1 3.97Å; Y273-W562 HydrophobicContact CE1-CG 4.46Å; Y273-W562 AromaticContact CE2-CD1 3.9Å; Y273-W562 AromaticContact CZ-CD1 3.5Å; Y273-W562 VanDerWaalsContact CZ-CD1 3.5Å; Y273-W562 WeakPolarHBondContact OH-CB 3.34Å; Y273-W562 PolarHBondContact OH-N 3.13Å
274	G	98.6	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.			trans	-138	158.3	177.1	0	0	0	0	0	112.6	D279 F281 Y282 Y283	G274-D279 WeakPolarHBondContact CA-OD2 3.48Å; G274-F281 CarbonylContact C-O 3.57Å; G274-F281 VanDerWaalsContact C-O 3.27Å; G274-Y282 CarbonylContact O-C 3.34Å; G274-Y282 VanDerWaalsContact O-CA 3.28Å; G274-Y282 WeakPolarHBondContact O-CA 3.47Å; G274-Y283 PolarHBondContact N-O 2.68Å; G274-Y283 VanDerWaalsContact N-O 3.09Å; G274-Y283 PolarHBondContact O-N 3.32Å
275	N	98.6	Very high	98.5	Very high	20 Å²	20	33.4 Å²	33.4	11%	0.107	16%	0.157	C	C	.	.			trans	-137.8	166.3	175.8	73.5	21.6	0	0	0	112.2	K277 F278 D279 N280 F281 Y282 C322 S324	N275-K277 PolarHBondContact O-N 3.4Å; N275-K277 VanDerWaalsContact O-N 3.13Å; N275-K277 WeakPolarHBondContact OD1-CB 3.35Å; N275-K277 PolarHBondContact OD1-N 2.66Å; N275-K277 VanDerWaalsContact OD1-N 3.13Å; N275-F278 PolarHBondContact O-N 3.26Å; N275-F278 PolarHBondContact OD1-N 3.16Å; N275-D279 PolarHBondContact N-OD2 3.47Å; N275-D279 WeakPolarHBondContact O-CA 3.37Å; N275-D279 WeakPolarHBondContact O-CB 3.42Å; N275-D279 PolarHBondContact O-N 2.89Å; N275-N280 PolarHBondContact O-N 3.35Å; N275-F281 CarbonylContact C-O 3.53Å; N275-F281 WeakPolarHBondContact CA-O 3.49Å; N275-F281 PolarHBondContact N-O 2.9Å; N275-Y282 HydrophobicContact CB-CD1 4.05Å; N275-Y282 HydrophobicContact CB-CE1 3.91Å; N275-C322 WeakPolarHBondContact CB-O 3.37Å; N275-C322 PolarHBondContact ND2-O 3.29Å; N275-S324 PolarHBondContact ND2-N 3.39Å
276	P	98.3	Very high	98.4	Very high	58 Å²	58	33.7 Å²	33.7	38%	0.377	16%	0.159	S	C	.	.	H	α-helix	trans	-58.2	-29.5	-178	-29	36.2	0	0	0	114.8	N280 Y282	P276-N280 WeakPolarHBondContact O-CA 3.46Å; P276-N280 PolarHBondContact O-N 3.02Å; P276-Y282 HydrophobicContact CG-CD1 4.48Å; P276-Y282 HydrophobicContact CG-CD2 3.81Å; P276-Y282 HydrophobicContact CG-CE1 4.18Å; P276-Y282 HydrophobicContact CG-CE2 3.45Å; P276-Y282 VanDerWaalsContact CG-CE2 3.45Å; P276-Y282 HydrophobicContact CG-CG 4.31Å
277	K	98	Very high	98.4	Very high	171 Å²	171	34.2 Å²	34.2	74%	0.743	16%	0.162	S	C	*	.	H	α-helix	trans	-70.6	-39.2	-177.2	-178.4	-176.9	173.7	-170	0	112.5	N275	N275-K277 PolarHBondContact O-N 3.4Å; N275-K277 VanDerWaalsContact O-N 3.13Å; N275-K277 WeakPolarHBondContact OD1-CB 3.35Å; N275-K277 PolarHBondContact OD1-N 2.66Å; N275-K277 VanDerWaalsContact OD1-N 3.13Å
278	F	97.9	Very high	98.3	Very high	73 Å²	73	39.2 Å²	39.2	32%	0.32	18%	0.18	S	C	.	.	H	α-helix	trans	-104.1	-29.2	-177.1	-76.3	-96.1	0	0	0	113.3	N275 S324 R326 D327	N275-F278 PolarHBondContact O-N 3.26Å; N275-F278 PolarHBondContact OD1-N 3.16Å; F278-S324 WeakPolarHBondContact CB-OG 3.45Å; F278-R326 HydrophobicContact CB-CB 4.49Å; F278-R326 HydrophobicContact CD1-CB 4.41Å; F278-D327 HydrophobicContact CD2-CB 4.17Å; F278-D327 HydrophobicContact CE1-CB 4.08Å; F278-D327 HydrophobicContact CE2-CB 3.64Å; F278-D327 VanDerWaalsContact CE2-OD2 3.24Å; F278-D327 WeakPolarHBondContact CE2-OD2 3.29Å; F278-D327 HydrophobicContact CZ-CB 3.59Å; F278-D327 WeakPolarHBondContact CZ-OD2 3.42Å
279	D	97.8	Very high	98.2	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.043	18%	0.184	C	C	.	.	H	α-helix	trans	-125.6	-2.6	-164.9	-47.2	-89.3	0	0	0	113.1	G274 N275 F281 Y283 S324 R326 L361	G274-D279 WeakPolarHBondContact CA-OD2 3.48Å; N275-D279 PolarHBondContact N-OD2 3.47Å; N275-D279 WeakPolarHBondContact O-CA 3.37Å; N275-D279 WeakPolarHBondContact O-CB 3.42Å; N275-D279 PolarHBondContact O-N 2.89Å; D279-F281 PolarHBondContact O-N 3.08Å; D279-Y283 HydrophobicContact CB-CD2 3.77Å; D279-Y283 HydrophobicContact CB-CE2 3.87Å; D279-Y283 WeakPolarHBondContact O-CE2 3.4Å; D279-S324 PolarHBondContact OD1-OG 3.12Å; D279-S324 WeakPolarHBondContact OD2-CB 3.38Å; D279-S324 PolarHBondContact OD2-OG 3.05Å; D279-R326 WeakPolarHBondContact OD1-CD 3.3Å; D279-R326 IonicContact OD1-CZ 2.7Å; D279-R326 IonicContact OD1-NE 3.78Å; D279-R326 PolarHBondContact OD1-NE 2.76Å; D279-R326 IonicContact OD1-NH1 3.87Å; D279-R326 PolarHBondContact OD1-NH1 3.33Å; D279-L361 HydrophobicContact CB-CD1 4.41Å
280	N	96.9	Very high	98	Very high	148 Å²	148	42.3 Å²	42.3	79%	0.791	20%	0.197	S	C	*	.	S	Bend	trans	63.6	-3.8	-173	-51.8	-67.2	0	0	0	115.5	N275 P276	N275-N280 PolarHBondContact O-N 3.35Å; P276-N280 WeakPolarHBondContact O-CA 3.46Å; P276-N280 PolarHBondContact O-N 3.02Å
281	F	98.2	Very high	97.8	Very high	79 Å²	79	46 Å²	46	35%	0.346	22%	0.22	S	C	.	.	S	Bend	trans	-152.7	156.6	178.6	-173.4	-102.2	0	0	0	111.9	G274 N275 D279 Y283	G274-F281 CarbonylContact C-O 3.57Å; G274-F281 VanDerWaalsContact C-O 3.27Å; N275-F281 CarbonylContact C-O 3.53Å; N275-F281 WeakPolarHBondContact CA-O 3.49Å; N275-F281 PolarHBondContact N-O 2.9Å; D279-F281 PolarHBondContact O-N 3.08Å; F281-Y283 VanDerWaalsContact C-N 3.29Å; F281-Y283 HydrophobicContact CB-CD2 4.09Å; F281-Y283 HydrophobicContact CB-CE2 3.64Å; F281-Y283 AromaticContact CD1-CD1 3.96Å; F281-Y283 HydrophobicContact CD1-CD1 3.96Å; F281-Y283 HydrophobicContact CD1-CD2 4.28Å; F281-Y283 HydrophobicContact CD1-CE1 4.03Å; F281-Y283 HydrophobicContact CD1-CE2 4.34Å; F281-Y283 HydrophobicContact CD1-CG 4.09Å; F281-Y283 HydrophobicContact CG-CE2 4.5Å; F281-Y283 WeakPolarHBondContact O-CD2 3.18Å; F281-Y283 PolarHBondContact O-N 3.18Å
282	Y	98.5	Very high	97.6	Very high	55 Å²	55	46.9 Å²	46.9	22%	0.216	22%	0.224	C	C	.	.			trans	-81.4	67.5	175.9	-77.8	-65.5	0	0	0	112.1	G274 N275 P276 W285 S286 A308 C322	G274-Y282 CarbonylContact O-C 3.34Å; G274-Y282 VanDerWaalsContact O-CA 3.28Å; G274-Y282 WeakPolarHBondContact O-CA 3.47Å; N275-Y282 HydrophobicContact CB-CD1 4.05Å; N275-Y282 HydrophobicContact CB-CE1 3.91Å; P276-Y282 HydrophobicContact CG-CD1 4.48Å; P276-Y282 HydrophobicContact CG-CD2 3.81Å; P276-Y282 HydrophobicContact CG-CE1 4.18Å; P276-Y282 HydrophobicContact CG-CE2 3.45Å; P276-Y282 VanDerWaalsContact CG-CE2 3.45Å; P276-Y282 HydrophobicContact CG-CG 4.31Å; Y282-W285 HydrophobicContact CD1-CB 4.46Å; Y282-W285 PolarHBondContact O-N 3.29Å; Y282-S286 WeakPolarHBondContact CB-OG 2.97Å; Y282-S286 WeakPolarHBondContact O-CB 3.48Å; Y282-S286 PolarHBondContact O-N 3.02Å; Y282-A308 HydrophobicContact CD1-CB 3.97Å; Y282-A308 HydrophobicContact CD2-CB 3.8Å; Y282-A308 HydrophobicContact CE2-CB 4.38Å; Y282-A308 HydrophobicContact CG-CB 3.56Å; Y282-C322 HydrophobicContact CD1-CB 3.86Å; Y282-C322 HydrophobicContact CE1-CB 3.56Å
283	Y	98.6	Very high	97.1	Very high	55 Å²	55	54 Å²	54	22%	0.216	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	139.3	177.6	-65.6	-79.8	0	0	0	111.4	G274 D279 F281 W285 E359 L361	G274-Y283 PolarHBondContact N-O 2.68Å; G274-Y283 VanDerWaalsContact N-O 3.09Å; G274-Y283 PolarHBondContact O-N 3.32Å; D279-Y283 HydrophobicContact CB-CD2 3.77Å; D279-Y283 HydrophobicContact CB-CE2 3.87Å; D279-Y283 WeakPolarHBondContact O-CE2 3.4Å; F281-Y283 VanDerWaalsContact C-N 3.29Å; F281-Y283 HydrophobicContact CB-CD2 4.09Å; F281-Y283 HydrophobicContact CB-CE2 3.64Å; F281-Y283 AromaticContact CD1-CD1 3.96Å; F281-Y283 HydrophobicContact CD1-CD1 3.96Å; F281-Y283 HydrophobicContact CD1-CD2 4.28Å; F281-Y283 HydrophobicContact CD1-CE1 4.03Å; F281-Y283 HydrophobicContact CD1-CE2 4.34Å; F281-Y283 HydrophobicContact CD1-CG 4.09Å; F281-Y283 HydrophobicContact CG-CE2 4.5Å; F281-Y283 WeakPolarHBondContact O-CD2 3.18Å; F281-Y283 PolarHBondContact O-N 3.18Å; Y283-W285 PolarHBondContact O-N 3.02Å; Y283-E359 WeakPolarHBondContact CD1-O 3.49Å; Y283-L361 HydrophobicContact CD1-CG 4.15Å; Y283-L361 HydrophobicContact CD2-CD1 3.87Å; Y283-L361 HydrophobicContact CD2-CG 4.04Å; Y283-L361 HydrophobicContact CE1-CD1 4.45Å; Y283-L361 HydrophobicContact CE1-CD2 3.96Å; Y283-L361 HydrophobicContact CE1-CG 3.83Å; Y283-L361 HydrophobicContact CE2-CD1 3.39Å; Y283-L361 HydrophobicContact CE2-CD2 4.27Å; Y283-L361 HydrophobicContact CE2-CG 3.69Å; Y283-L361 HydrophobicContact CG-CG 4.26Å
284	H	98.5	Very high	96.9	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.009	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-26.7	-169.8	-66.6	-107.7	0	0	0	116.4	W272 Y273 H287 D357 E359 G360 H563	W272-H284 AromaticContact CD2-CE1 3.75Å; W272-H284 AromaticContact CE3-CE1 3.83Å; W272-H284 AromaticContact CE3-ND1 3.7Å; W272-H284 AromaticContact CG-CE1 3.73Å; W272-H284 AromaticContact CG-NE2 3.99Å; W272-H284 PolarHBondContact O-CD2 3.02Å; Y273-H284 HydrophobicContact CD1-CB 3.64Å; Y273-H284 HydrophobicContact CE1-CB 3.84Å; Y273-H284 HydrophobicContact CG-CB 4.47Å; H284-H287 WeakPolarHBondContact O-CB 3.39Å; H284-D357 IonicContact CE1-OD1 2.71Å; H284-D357 PolarHBondContact CE1-OD1 3.04Å; H284-D357 IonicContact CE1-OD2 3.44Å; H284-D357 PolarHBondContact CE1-OD2 3.44Å; H284-D357 IonicContact ND1-OD2 2.65Å; H284-D357 IonicContact NE2-OD1 3.55Å; H284-D357 PolarHBondContact NE2-OD1 2.89Å; H284-D357 IonicContact NE2-OD2 3.68Å; H284-E359 PolarHBondContact CD2-O 2.91Å; H284-E359 PolarHBondContact N-O 3.48Å; H284-G360 WeakPolarHBondContact NE2-CA 3.36Å; H284-G360 PolarHBondContact NE2-N 3.14Å; H284-H563 AromaticContact CG-CE1 3.88Å; H284-H563 AromaticContact ND1-CE1 3.36Å; H284-H563 PolarHBondContact ND1-CE1 2.96Å; H284-H563 PolarHBondContact O-NE2 3.44Å
285	W	98.6	Very high	96.4	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-49.1	173.9	-59.9	121.4	0	0	0	111.9	Y273 Y282 Y283 H287 A308 I312 G313 P318 C322 Y323 W562	Y273-W285 AromaticContact CD1-CD2 3.74Å; Y273-W285 HydrophobicContact CD1-CD2 3.74Å; Y273-W285 AromaticContact CD1-CE2 3.49Å; Y273-W285 VanDerWaalsContact CD1-CE2 3.49Å; Y273-W285 AromaticContact CD1-CE3 3.88Å; Y273-W285 HydrophobicContact CD1-CE3 3.88Å; Y273-W285 HydrophobicContact CD1-CG 4.49Å; Y273-W285 AromaticContact CD1-CH2 3.54Å; Y273-W285 HydrophobicContact CD1-CH2 3.54Å; Y273-W285 AromaticContact CD1-CZ2 3.41Å; Y273-W285 HydrophobicContact CD1-CZ2 3.41Å; Y273-W285 VanDerWaalsContact CD1-CZ2 3.41Å; Y273-W285 AromaticContact CD1-CZ3 3.78Å; Y273-W285 HydrophobicContact CD1-CZ3 3.78Å; Y273-W285 HydrophobicContact CD2-CZ2 4.35Å; Y273-W285 HydrophobicContact CE1-CD2 4.43Å; Y273-W285 HydrophobicContact CE1-CE3 4.11Å; Y273-W285 AromaticContact CE1-CH2 3.8Å; Y273-W285 HydrophobicContact CE1-CH2 3.8Å; Y273-W285 HydrophobicContact CE1-CZ2 4.15Å; Y273-W285 AromaticContact CE1-CZ3 3.78Å; Y273-W285 HydrophobicContact CE1-CZ3 3.78Å; Y273-W285 AromaticContact CG-CE2 3.85Å; Y273-W285 AromaticContact CG-CH2 3.96Å; Y273-W285 HydrophobicContact CG-CH2 3.96Å; Y273-W285 AromaticContact CG-CZ2 3.53Å; Y273-W285 HydrophobicContact CG-CZ2 3.53Å; Y282-W285 HydrophobicContact CD1-CB 4.46Å; Y282-W285 PolarHBondContact O-N 3.29Å; Y283-W285 PolarHBondContact O-N 3.02Å; W285-H287 PolarHBondContact O-N 2.98Å; W285-A308 HydrophobicContact CB-CB 3.8Å; W285-I312 HydrophobicContact CB-CG2 4.17Å; W285-I312 HydrophobicContact CE3-CD1 4.1Å; W285-I312 HydrophobicContact CZ3-CD1 4.34Å; W285-I312 CarbonylContact O-C 3.5Å; W285-I312 VanDerWaalsContact O-CA 3.28Å; W285-I312 WeakPolarHBondContact O-CA 3.36Å; W285-G313 PolarHBondContact O-N 3.33Å; W285-P318 HydrophobicContact CH2-CB 4.41Å; W285-P318 HydrophobicContact CH2-CG 3.41Å; W285-P318 VanDerWaalsContact CH2-CG 3.41Å; W285-P318 HydrophobicContact CZ2-CG 4.29Å; W285-P318 HydrophobicContact CZ3-CG 3.56Å; W285-C322 HydrophobicContact CD2-CB 4.25Å; W285-C322 HydrophobicContact CG-CB 3.95Å; W285-Y323 HydrophobicContact CH2-CD1 4.26Å; W285-Y323 AromaticContact CH2-CE1 3.83Å; W285-Y323 HydrophobicContact CH2-CE1 3.83Å; W285-Y323 HydrophobicContact CH2-CE2 4.49Å; W285-Y323 AromaticContact CH2-CZ 3.98Å; W285-Y323 AromaticContact CZ2-CD1 3.76Å; W285-Y323 HydrophobicContact CZ2-CD1 3.76Å; W285-Y323 AromaticContact CZ2-CD2 3.96Å; W285-Y323 HydrophobicContact CZ2-CD2 3.96Å; W285-Y323 AromaticContact CZ2-CE1 3.71Å; W285-Y323 HydrophobicContact CZ2-CE1 3.71Å; W285-Y323 AromaticContact CZ2-CE2 3.89Å; W285-Y323 HydrophobicContact CZ2-CE2 3.89Å; W285-Y323 AromaticContact CZ2-CG 3.92Å; W285-Y323 HydrophobicContact CZ2-CG 3.92Å; W285-Y323 AromaticContact CZ2-CZ 3.8Å; W285-Y323 PolarHBondContact NE1-O 3.19Å; W285-W562 AromaticContact CH2-CD1 3.51Å; W285-W562 HydrophobicContact CH2-CD2 4.46Å; W285-W562 AromaticContact CH2-CG 3.98Å; W285-W562 HydrophobicContact CH2-CG 3.98Å; W285-W562 AromaticContact CH2-NE1 3.77Å; W285-W562 HydrophobicContact CZ3-CB 4.08Å; W285-W562 AromaticContact CZ3-CD1 3.8Å; W285-W562 HydrophobicContact CZ3-CD2 4.36Å; W285-W562 AromaticContact CZ3-CG 3.81Å; W285-W562 HydrophobicContact CZ3-CG 3.81Å
286	S	98	Very high	96	Very high	7 Å²	7	61.5 Å²	61.5	5%	0.049	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	49.1	172.8	-69.5	0	0	0	0	110.2	Y282 R305 R306 A308	Y282-S286 WeakPolarHBondContact CB-OG 2.97Å; Y282-S286 WeakPolarHBondContact O-CB 3.48Å; Y282-S286 PolarHBondContact O-N 3.02Å; S286-R305 WeakPolarHBondContact O-CD 3.45Å; S286-R305 WeakPolarHBondContact O-CG 3.25Å; S286-R305 PolarHBondContact O-NH1 2.91Å; S286-R306 WeakPolarHBondContact CA-O 3.45Å; S286-R306 VanDerWaalsContact CB-O 3.24Å; S286-R306 WeakPolarHBondContact CB-O 3.01Å; S286-R306 PolarHBondContact OG-O 2.9Å; S286-A308 VanDerWaalsContact OG-CB 3.25Å; S286-A308 WeakPolarHBondContact OG-CB 3.39Å; S286-A308 PolarHBondContact OG-N 2.99Å; S286-A308 VanDerWaalsContact OG-N 3.09Å
287	H	98.1	Very high	95.6	Very high	11 Å²	11	61.8 Å²	61.8	5%	0.051	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-62.5	152	-175.1	-162.6	-84.7	0	0	0	113.1	H284 W285 R306 E359 I522 H563	H284-H287 WeakPolarHBondContact O-CB 3.39Å; W285-H287 PolarHBondContact O-N 2.98Å; H287-R306 WeakPolarHBondContact O-CB 3.48Å; H287-R306 WeakPolarHBondContact O-CG 3.14Å; H287-R306 PolarHBondContact O-N 3.41Å; H287-E359 WeakPolarHBondContact NE2-CG 3.4Å; H287-I522 HydrophobicContact CB-CG2 3.81Å; H287-I522 VanDerWaalsContact ND1-CG2 3.26Å; H287-I522 WeakPolarHBondContact ND1-CG2 3.13Å; H287-H563 AromaticContact CD2-CE1 3.19Å; H287-H563 PolarHBondContact CD2-CE1 2.78Å; H287-H563 AromaticContact CD2-ND1 3.49Å; H287-H563 PolarHBondContact CD2-ND1 2.99Å; H287-H563 AromaticContact CD2-NE2 3.67Å; H287-H563 AromaticContact NE2-CE1 3.82Å; H287-H563 AromaticContact NE2-ND1 3.71Å
288	R	97.3	Very high	95.2	Very high	104 Å²	104	54.1 Å²	54.1	39%	0.392	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	145	169.6	-73.3	-179.4	-66	174.4	1.9	111.8	L290 G304 A358 E359	R288-L290 PolarHBondContact O-N 2.95Å; R288-G304 CarbonylContact C-O 3.59Å; R288-G304 WeakPolarHBondContact CA-O 3.48Å; R288-A358 VanDerWaalsContact NH2-CB 3.26Å; R288-E359 IonicContact CZ-OE1 3.1Å; R288-E359 PolarHBondContact N-OE2 3.16Å; R288-E359 IonicContact NE-OE1 3.6Å; R288-E359 PolarHBondContact NE-OE1 2.92Å; R288-E359 IonicContact NH2-OE1 3.43Å; R288-E359 PolarHBondContact NH2-OE1 3.2Å
289	I	96.7	Very high	94.8	Very high	15 Å²	15	56.7 Å²	56.7	8%	0.077	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.6	164.6	-52.3	173.7	0	0	0	106.7	P302 G304 P524	I289-P302 HydrophobicContact CD1-CB 4.19Å; I289-P302 HydrophobicContact CD1-CG 4.41Å; I289-P302 WeakPolarHBondContact CG2-O 3.45Å; I289-G304 PolarHBondContact N-O 3.25Å; I289-P524 HydrophobicContact CG2-CG 3.93Å
290	L	95.7	Very high	94.5	Very high	51 Å²	51	63.6 Å²	63.6	27%	0.267	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-77.9	127.7	-175.2	-60.8	-179.4	0	0	0	109.9	R288 I522 R523 W525	R288-L290 PolarHBondContact O-N 2.95Å; L290-I522 PolarHBondContact N-O 3.3Å; L290-R523 HydrophobicContact CB-CG 4.4Å; L290-R523 HydrophobicContact CD1-CG 4.17Å; L290-W525 PolarHBondContact O-NE1 3.3Å; L290-W525 VanDerWaalsContact O-NE1 3.07Å
291	P	94.3	Very high	94.2	Very high	76 Å²	76	61.1 Å²	61.1	49%	0.494	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-64.8	150.8	176.8	29.3	-34.6	0	0	0	110.1	A298 L303	P291-A298 HydrophobicContact CB-CB 4.16Å; P291-L303 HydrophobicContact CB-CD2 3.93Å
292	H	93.2	Very high	93.8	Very high	20 Å²	20	60.8 Å²	60.8	9%	0.093	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-61.1	142.3	168.1	-173.2	-80.9	0	0	0	109.6	N294 L297 A298 W525	H292-N294 VanDerWaalsContact C-N 3.27Å; H292-N294 WeakPolarHBondContact ND1-CB 3.17Å; H292-N294 PolarHBondContact ND1-N 3.44Å; H292-N294 PolarHBondContact ND1-O 2.83Å; H292-N294 PolarHBondContact O-N 3.21Å; H292-L297 HydrophobicContact CB-CB 4.43Å; H292-A298 HydrophobicContact CB-CB 4.16Å; H292-W525 HydrophobicContact CB-CD2 4.36Å; H292-W525 HydrophobicContact CB-CG 4.01Å; H292-W525 AromaticContact CD2-CD2 3.69Å; H292-W525 AromaticContact CD2-CE3 3.93Å; H292-W525 AromaticContact CD2-CG 3.66Å
293	W	89.3	Confident	93.3	Very high	181 Å²	181	63.6 Å²	63.6	69%	0.686	31%	0.314	S	S	*	.	S	Bend	trans	-62.3	-34	-176.2	58.4	84.6	0	0	0	113	P295 W525	W293-P295 VanDerWaalsContact O-CD 3.29Å; W293-P295 WeakPolarHBondContact O-CD 3.48Å; W293-W525 AromaticContact CE3-CH2 3.8Å; W293-W525 HydrophobicContact CE3-CH2 3.8Å; W293-W525 HydrophobicContact CE3-CZ2 4.33Å; W293-W525 AromaticContact CE3-CZ3 3.98Å; W293-W525 HydrophobicContact CE3-CZ3 3.98Å; W293-W525 HydrophobicContact CH2-CE3 4.36Å; W293-W525 AromaticContact CH2-CZ3 3.97Å; W293-W525 HydrophobicContact CH2-CZ3 3.97Å; W293-W525 AromaticContact CZ3-CE3 3.87Å; W293-W525 HydrophobicContact CZ3-CE3 3.87Å; W293-W525 AromaticContact CZ3-CH2 3.46Å; W293-W525 HydrophobicContact CZ3-CH2 3.46Å; W293-W525 VanDerWaalsContact CZ3-CH2 3.46Å; W293-W525 HydrophobicContact CZ3-CZ2 4.34Å; W293-W525 AromaticContact CZ3-CZ3 3.2Å; W293-W525 HydrophobicContact CZ3-CZ3 3.2Å
294	N	92.9	Very high	93.1	Very high	24 Å²	24	63 Å²	63	13%	0.128	33%	0.326	C	S	.	.	S	Bend	trans	-77.7	113.2	168	-173	-33.9	0	0	0	109.6	E137 H292 L296 L297 A298	E137-N294 PolarHBondContact OE1-ND2 3.42Å; H292-N294 VanDerWaalsContact C-N 3.27Å; H292-N294 WeakPolarHBondContact ND1-CB 3.17Å; H292-N294 PolarHBondContact ND1-N 3.44Å; H292-N294 PolarHBondContact ND1-O 2.83Å; H292-N294 PolarHBondContact O-N 3.21Å; N294-L296 PolarHBondContact O-N 2.81Å; N294-L296 WeakPolarHBondContact OD1-CB 3.37Å; N294-L296 PolarHBondContact OD1-N 3.34Å; N294-L297 HydrophobicContact CB-CB 4.29Å; N294-L297 HydrophobicContact CB-CD1 4.22Å; N294-L297 HydrophobicContact CB-CG 4.28Å; N294-L297 PolarHBondContact O-N 3.16Å; N294-L297 VanDerWaalsContact O-N 3.08Å; N294-A298 PolarHBondContact O-N 3.25Å
295	P	89.1	Confident	92.9	Very high	48 Å²	48	67.6 Å²	67.6	31%	0.312	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-30.5	-177.3	-23.9	35.4	0	0	0	113.9	F136 W293 L297 A298	F136-P295 HydrophobicContact CB-CG 4.39Å; F136-P295 HydrophobicContact CD1-CG 3.75Å; F136-P295 HydrophobicContact CD2-CG 3.84Å; F136-P295 HydrophobicContact CE1-CG 3.89Å; F136-P295 HydrophobicContact CE2-CG 3.99Å; F136-P295 HydrophobicContact CG-CG 3.73Å; F136-P295 HydrophobicContact CZ-CG 4.01Å; W293-P295 VanDerWaalsContact O-CD 3.29Å; W293-P295 WeakPolarHBondContact O-CD 3.48Å; P295-L297 VanDerWaalsContact C-N 3.31Å; P295-L297 PolarHBondContact O-N 3.47Å; P295-A298 WeakPolarHBondContact O-CB 3.48Å; P295-A298 PolarHBondContact O-N 2.92Å
296	L	91.1	Very high	92.8	Very high	105 Å²	105	69 Å²	69	55%	0.55	35%	0.348	S	S	.	.	H	α-helix	trans	-68.1	-34	178.2	-60	177.7	0	0	0	111.6	N294	N294-L296 PolarHBondContact O-N 2.81Å; N294-L296 WeakPolarHBondContact OD1-CB 3.37Å; N294-L296 PolarHBondContact OD1-N 3.34Å
297	L	89.3	Confident	92.7	Very high	63 Å²	63	76.4 Å²	76.4	33%	0.33	38%	0.379	S	S	.	.	H	α-helix	trans	-81.5	-28.6	174.4	-64.8	179.7	0	0	0	112	H292 N294 P295 V299 K300 W301	H292-L297 HydrophobicContact CB-CB 4.43Å; N294-L297 HydrophobicContact CB-CB 4.29Å; N294-L297 HydrophobicContact CB-CD1 4.22Å; N294-L297 HydrophobicContact CB-CG 4.28Å; N294-L297 PolarHBondContact O-N 3.16Å; N294-L297 VanDerWaalsContact O-N 3.08Å; P295-L297 VanDerWaalsContact C-N 3.31Å; P295-L297 PolarHBondContact O-N 3.47Å; L297-V299 PolarHBondContact O-N 3.39Å; L297-K300 HydrophobicContact CD2-CD 4.29Å; L297-K300 WeakPolarHBondContact O-CB 3.46Å; L297-K300 PolarHBondContact O-N 3.33Å; L297-W301 VanDerWaalsContact O-CD1 3.23Å
298	A	89.8	Confident	92.7	Very high	11 Å²	11	76.6 Å²	76.6	9%	0.091	38%	0.383	C	S	.	.	H	α-helix	trans	-58.2	-33.5	-179.3	0	0	0	0	0	113	P291 H292 N294 P295 K300 W301	P291-A298 HydrophobicContact CB-CB 4.16Å; H292-A298 HydrophobicContact CB-CB 4.16Å; N294-A298 PolarHBondContact O-N 3.25Å; P295-A298 WeakPolarHBondContact O-CB 3.48Å; P295-A298 PolarHBondContact O-N 2.92Å; A298-K300 PolarHBondContact O-N 3.35Å; A298-K300 VanDerWaalsContact O-N 3.17Å; A298-W301 PolarHBondContact O-N 3.19Å; A298-W301 VanDerWaalsContact O-N 3.13Å
299	V	89.7	Confident	92.7	Very high	126 Å²	126	73.8 Å²	73.8	76%	0.764	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.5	178.5	-177.1	0	0	0	0	112.8	L297 W301	L297-V299 PolarHBondContact O-N 3.39Å; V299-W301 VanDerWaalsContact C-N 3.27Å; V299-W301 PolarHBondContact O-N 3.09Å
300	K	90.9	Very high	92.7	Very high	153 Å²	153	77 Å²	77	67%	0.665	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-12.7	179.8	-60.7	-179.2	179.6	178	0	113.4	L297 A298	L297-K300 HydrophobicContact CD2-CD 4.29Å; L297-K300 WeakPolarHBondContact O-CB 3.46Å; L297-K300 PolarHBondContact O-N 3.33Å; A298-K300 PolarHBondContact O-N 3.35Å; A298-K300 VanDerWaalsContact O-N 3.17Å
301	W	90.4	Very high	92.8	Very high	96 Å²	96	76.5 Å²	76.5	36%	0.364	39%	0.393	S	S	.	.	S	Bend	trans	-116.9	149.3	-169.8	-62.4	102.1	0	0	0	111.3	L297 A298 V299 P524 W525	L297-W301 VanDerWaalsContact O-CD1 3.23Å; A298-W301 PolarHBondContact O-N 3.19Å; A298-W301 VanDerWaalsContact O-N 3.13Å; V299-W301 VanDerWaalsContact C-N 3.27Å; V299-W301 PolarHBondContact O-N 3.09Å; W301-P524 HydrophobicContact CB-CG 4.05Å; W301-P524 HydrophobicContact CD2-CB 4.47Å; W301-P524 HydrophobicContact CD2-CG 4.35Å; W301-P524 HydrophobicContact CE3-CB 3.63Å; W301-P524 HydrophobicContact CE3-CG 3.92Å; W301-P524 HydrophobicContact CG-CG 4.43Å; W301-P524 VanDerWaalsContact CH2-O 3.27Å; W301-P524 WeakPolarHBondContact CH2-O 3.39Å; W301-P524 VanDerWaalsContact CZ3-C 3.5Å; W301-P524 HydrophobicContact CZ3-CB 4.02Å; W301-P524 WeakPolarHBondContact CZ3-O 3.48Å; W301-W525 HydrophobicContact CD2-CB 3.84Å; W301-W525 VanDerWaalsContact CE2-CB 3.42Å; W301-W525 HydrophobicContact CG-CB 4.1Å; W301-W525 HydrophobicContact CH2-CB 4.44Å; W301-W525 HydrophobicContact CZ2-CB 3.77Å
302	P	89.5	Confident	93	Very high	72 Å²	72	72.9 Å²	72.9	47%	0.468	37%	0.37	S	S	.	.			trans	-61.2	143.4	177.7	26.1	-33.9	0	0	0	110.8	I289 P524	I289-P302 HydrophobicContact CD1-CB 4.19Å; I289-P302 HydrophobicContact CD1-CG 4.41Å; I289-P302 WeakPolarHBondContact CG2-O 3.45Å; P302-P524 HydrophobicContact CG-CB 4.46Å; P302-P524 HydrophobicContact CG-CG 4.1Å
303	L	89.3	Confident	93.2	Very high	114 Å²	114	72 Å²	72	60%	0.597	37%	0.366	S	S	*	.			trans	-116.2	165.3	172.9	-64.2	175.8	0	0	0	109.9	P291	P291-L303 HydrophobicContact CB-CD2 3.93Å
304	G	93.2	Very high	93.6	Very high	44 Å²	44	63.3 Å²	63.3	45%	0.454	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.9	-152	173.6	0	0	0	0	0	112.4	R288 I289	R288-G304 CarbonylContact C-O 3.59Å; R288-G304 WeakPolarHBondContact CA-O 3.48Å; I289-G304 PolarHBondContact N-O 3.25Å
305	R	95.2	Very high	93.9	Very high	97 Å²	97	62.6 Å²	62.6	37%	0.366	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140	-176.4	-168.2	-178.1	-84.4	-76.7	2.2	110	S286 E359	S286-R305 WeakPolarHBondContact O-CD 3.45Å; S286-R305 WeakPolarHBondContact O-CG 3.25Å; S286-R305 PolarHBondContact O-NH1 2.91Å; R305-E359 IonicContact CZ-OE2 3.86Å; R305-E359 IonicContact NH1-OE2 3.75Å; R305-E359 PolarHBondContact NH1-OE2 2.9Å; R305-E359 IonicContact NH2-OE2 2.63Å; R305-E359 PolarHBondContact NH2-OE2 3.1Å
306	R	96.1	Very high	94.3	Very high	30 Å²	30	60.8 Å²	60.8	11%	0.113	32%	0.316	C	S	.	.			trans	-62	149.8	169.9	-61.1	-64.7	179.9	-163.7	-2.3	110.1	S286 H287 D311 R521	S286-R306 WeakPolarHBondContact CA-O 3.45Å; S286-R306 VanDerWaalsContact CB-O 3.24Å; S286-R306 WeakPolarHBondContact CB-O 3.01Å; S286-R306 PolarHBondContact OG-O 2.9Å; H287-R306 WeakPolarHBondContact O-CB 3.48Å; H287-R306 WeakPolarHBondContact O-CG 3.14Å; H287-R306 PolarHBondContact O-N 3.41Å; R306-D311 CarbonylContact C-O 3.56Å; R306-D311 WeakPolarHBondContact CA-OD2 3.34Å; R306-D311 WeakPolarHBondContact CB-O 3.49Å; R306-D311 VanDerWaalsContact CD-OD2 3.25Å; R306-D311 WeakPolarHBondContact CD-OD2 3.43Å; R306-D311 IonicContact NH1-OD1 2.62Å; R306-D311 IonicContact NH1-OD2 3.63Å; R306-R521 PolarHBondContact NE-O 2.96Å; R306-R521 PolarHBondContact NH2-O 3.34Å
307	K	96.3	Very high	94.7	Very high	163 Å²	163	57 Å²	57	71%	0.709	30%	0.295	S	S	*	.			trans	-119.2	81.4	-176.1	-63	-174.8	-178	-176.1	0	110.5	D311	K307-D311 CarbonylContact C-O 3.6Å; K307-D311 WeakPolarHBondContact CA-O 3.47Å; K307-D311 HydrophobicContact CB-CB 4.45Å; K307-D311 PolarHBondContact N-O 3.19Å; K307-D311 PolarHBondContact N-OD2 3Å; K307-D311 PolarHBondContact O-N 3.28Å
308	A	97.8	Very high	95.1	Very high	16 Å²	16	54 Å²	54	13%	0.132	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	151.2	176.5	0	0	0	0	0	111.1	Y282 W285 S286 D311 I312	Y282-A308 HydrophobicContact CD1-CB 3.97Å; Y282-A308 HydrophobicContact CD2-CB 3.8Å; Y282-A308 HydrophobicContact CE2-CB 4.38Å; Y282-A308 HydrophobicContact CG-CB 3.56Å; W285-A308 HydrophobicContact CB-CB 3.8Å; S286-A308 VanDerWaalsContact OG-CB 3.25Å; S286-A308 WeakPolarHBondContact OG-CB 3.39Å; S286-A308 PolarHBondContact OG-N 2.99Å; S286-A308 VanDerWaalsContact OG-N 3.09Å; A308-D311 PolarHBondContact N-O 3.37Å; A308-D311 VanDerWaalsContact N-O 3.1Å; A308-I312 HydrophobicContact CB-CG2 3.81Å
309	P	96.9	Very high	95.5	Very high	45 Å²	45	55.4 Å²	55.4	29%	0.292	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.3	-17.6	6.4	33.5	-35.2	0	0	0	114.8	D311 Y317	P309-D311 PolarHBondContact O-N 3.4Å; P309-Y317 WeakPolarHBondContact O-CE2 3.44Å; P309-Y317 PolarHBondContact O-OH 2.89Å
310	D	97	Very high	95.9	Very high	83 Å²	83	52.6 Å²	52.6	44%	0.444	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-29.1	-171.3	-60.6	-24.3	0	0	0	113.6	Y581	D310-Y581 PolarHBondContact O-OH 2.77Å
311	D	97.4	Very high	96.2	Very high	39 Å²	39	46.1 Å²	46.1	21%	0.209	25%	0.246	C	C	.	.	S	Bend	trans	-127.4	96.5	-179	-175.6	59.9	0	0	0	109.3	R306 K307 A308 P309 R521 Y581	R306-D311 CarbonylContact C-O 3.56Å; R306-D311 WeakPolarHBondContact CA-OD2 3.34Å; R306-D311 WeakPolarHBondContact CB-O 3.49Å; R306-D311 VanDerWaalsContact CD-OD2 3.25Å; R306-D311 WeakPolarHBondContact CD-OD2 3.43Å; R306-D311 IonicContact NH1-OD1 2.62Å; R306-D311 IonicContact NH1-OD2 3.63Å; K307-D311 CarbonylContact C-O 3.6Å; K307-D311 WeakPolarHBondContact CA-O 3.47Å; K307-D311 HydrophobicContact CB-CB 4.45Å; K307-D311 PolarHBondContact N-O 3.19Å; K307-D311 PolarHBondContact N-OD2 3Å; K307-D311 PolarHBondContact O-N 3.28Å; A308-D311 PolarHBondContact N-O 3.37Å; A308-D311 VanDerWaalsContact N-O 3.1Å; P309-D311 PolarHBondContact O-N 3.4Å; D311-R521 IonicContact OD1-CZ 3.24Å; D311-R521 IonicContact OD1-NH1 3.06Å; D311-R521 PolarHBondContact OD1-NH1 3.3Å; D311-R521 IonicContact OD1-NH2 3.71Å; D311-R521 PolarHBondContact OD1-NH2 3.48Å; D311-Y581 VanDerWaalsContact CA-OH 3.26Å; D311-Y581 WeakPolarHBondContact CA-OH 3.48Å
312	I	98.2	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.			trans	-105.8	161.6	-178.9	66.2	172	0	0	0	112.4	W285 A308 S314 Y317 C322 R521 Y581	W285-I312 HydrophobicContact CB-CG2 4.17Å; W285-I312 HydrophobicContact CE3-CD1 4.1Å; W285-I312 HydrophobicContact CZ3-CD1 4.34Å; W285-I312 CarbonylContact O-C 3.5Å; W285-I312 VanDerWaalsContact O-CA 3.28Å; W285-I312 WeakPolarHBondContact O-CA 3.36Å; A308-I312 HydrophobicContact CB-CG2 3.81Å; I312-S314 PolarHBondContact O-N 3.46Å; I312-Y317 HydrophobicContact CD1-CD2 3.72Å; I312-Y317 HydrophobicContact CD1-CE2 4.03Å; I312-Y317 HydrophobicContact CD1-CG 4.49Å; I312-Y317 HydrophobicContact CG1-CD2 4.25Å; I312-Y317 HydrophobicContact CG1-CE2 4.45Å; I312-Y317 HydrophobicContact CG2-CE2 4.39Å; I312-C322 WeakPolarHBondContact CG2-SG 3.23Å; I312-R521 PolarHBondContact O-NE 3.24Å; I312-R521 PolarHBondContact O-NH2 3.22Å; I312-Y581 HydrophobicContact CD1-CE1 4.15Å; I312-Y581 HydrophobicContact CG1-CD1 4.46Å; I312-Y581 HydrophobicContact CG1-CE1 3.47Å; I312-Y581 VanDerWaalsContact CG1-CE1 3.47Å; I312-Y581 PolarHBondContact N-OH 2.94Å
313	G	97.3	Very high	97.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.01	21%	0.212	C	C	.	.	S	Bend	trans	-73.9	32.2	176.6	0	0	0	0	0	115.2	W285 I522 H563	W285-G313 PolarHBondContact O-N 3.33Å; G313-I522 WeakPolarHBondContact O-CG2 3.38Å; G313-H563 WeakPolarHBondContact O-CA 3.48Å; G313-H563 PolarHBondContact O-CD2 3.15Å; G313-H563 VanDerWaalsContact O-CD2 3.32Å
314	S	98.3	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-136.1	151.8	180	169.9	0	0	0	0	110.3	I312 Y316 R521 W562 Y581	I312-S314 PolarHBondContact O-N 3.46Å; S314-Y316 VanDerWaalsContact CB-O 3.29Å; S314-Y316 WeakPolarHBondContact CB-O 3.34Å; S314-Y316 PolarHBondContact OG-N 2.82Å; S314-Y316 PolarHBondContact OG-O 3.2Å; S314-R521 WeakPolarHBondContact O-CG 3.31Å; S314-W562 VanDerWaalsContact CB-O 3.23Å; S314-W562 WeakPolarHBondContact CB-O 3.06Å; S314-W562 PolarHBondContact OG-O 2.74Å; S314-Y581 WeakPolarHBondContact O-CD1 3.45Å; S314-Y581 WeakPolarHBondContact O-CE1 3.26Å
315	N	98.3	Very high	97.8	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.043	16%	0.162	C	C	.	.	S	Bend	trans	-81.2	-18.9	171.8	-77.3	-75.5	0	0	0	112.9	I518 E520 R521 L582	N315-I518 HydrophobicContact CB-CD1 4.19Å; N315-I518 HydrophobicContact CB-CG1 4.38Å; N315-I518 HydrophobicContact CB-CG2 3.78Å; N315-I518 WeakPolarHBondContact ND2-CG1 3.06Å; N315-I518 PolarHBondContact ND2-O 3.37Å; N315-E520 PolarHBondContact ND2-N 3.41Å; N315-R521 HydrophobicContact CB-CG 4.22Å; N315-R521 WeakPolarHBondContact ND2-CG 3.45Å; N315-R521 WeakPolarHBondContact OD1-CG 3.36Å; N315-L582 HydrophobicContact CB-CD1 4.28Å; N315-L582 PolarHBondContact O-N 3.24Å
316	Y	98.5	Very high	97.9	Very high	11 Å²	11	29 Å²	29	4%	0.043	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-113.4	151.4	176.4	-64.1	-90.4	0	0	0	110.3	S314 I518 R533 Q567 A571 L582 Y584	S314-Y316 VanDerWaalsContact CB-O 3.29Å; S314-Y316 WeakPolarHBondContact CB-O 3.34Å; S314-Y316 PolarHBondContact OG-N 2.82Å; S314-Y316 PolarHBondContact OG-O 3.2Å; Y316-I518 HydrophobicContact CD2-CG2 4.48Å; Y316-I518 HydrophobicContact CE2-CG2 3.74Å; Y316-R533 WeakPolarHBondContact OH-CD 3.15Å; Y316-R533 WeakPolarHBondContact OH-CG 3.48Å; Y316-R533 PolarHBondContact OH-NE 3.42Å; Y316-Q567 VanDerWaalsContact CB-NE2 3.25Å; Y316-Q567 VanDerWaalsContact CD2-NE2 3.26Å; Y316-A571 HydrophobicContact CD1-CB 4.28Å; Y316-L582 HydrophobicContact CD1-CB 3.58Å; Y316-L582 VanDerWaalsContact CD1-O 3.28Å; Y316-L582 WeakPolarHBondContact CD1-O 3.35Å; Y316-L582 HydrophobicContact CE1-CB 3.35Å; Y316-L582 HydrophobicContact CE1-CD1 4.28Å; Y316-L582 HydrophobicContact CE1-CG 4.47Å; Y316-L582 HydrophobicContact CE2-CB 4.42Å; Y316-L582 HydrophobicContact CE2-CD1 4.17Å; Y316-L582 HydrophobicContact CG-CB 4.18Å; Y316-Y584 HydrophobicContact CD1-CD1 4.36Å; Y316-Y584 AromaticContact CD1-CE1 3.8Å; Y316-Y584 HydrophobicContact CD1-CE1 3.8Å; Y316-Y584 HydrophobicContact CE1-CD1 4.16Å; Y316-Y584 AromaticContact CE1-CE1 3.79Å; Y316-Y584 HydrophobicContact CE1-CE1 3.79Å
317	Y	98.4	Very high	98	Very high	24 Å²	24	28.7 Å²	28.7	9%	0.094	15%	0.153	C	C	.	.			trans	-105	124.9	177.5	-158.8	-90	0	0	0	111.1	P309 I312 A571 S572 F574 Y581	P309-Y317 WeakPolarHBondContact O-CE2 3.44Å; P309-Y317 PolarHBondContact O-OH 2.89Å; I312-Y317 HydrophobicContact CD1-CD2 3.72Å; I312-Y317 HydrophobicContact CD1-CE2 4.03Å; I312-Y317 HydrophobicContact CD1-CG 4.49Å; I312-Y317 HydrophobicContact CG1-CD2 4.25Å; I312-Y317 HydrophobicContact CG1-CE2 4.45Å; I312-Y317 HydrophobicContact CG2-CE2 4.39Å; Y317-A571 CarbonylContact O-C 3.27Å; Y317-A571 WeakPolarHBondContact O-CA 3.49Å; Y317-A571 WeakPolarHBondContact O-CB 3.46Å; Y317-S572 PolarHBondContact O-N 3.24Å; Y317-F574 HydrophobicContact CD1-CB 3.87Å; Y317-F574 HydrophobicContact CD1-CD1 4.49Å; Y317-F574 HydrophobicContact CD1-CD2 4.07Å; Y317-F574 AromaticContact CD1-CG 3.9Å; Y317-F574 HydrophobicContact CD1-CG 3.9Å; Y317-F574 HydrophobicContact CD2-CB 4.05Å; Y317-F574 AromaticContact CD2-CD1 3.51Å; Y317-F574 HydrophobicContact CD2-CD1 3.51Å; Y317-F574 HydrophobicContact CD2-CD2 4.44Å; Y317-F574 HydrophobicContact CD2-CE1 4.02Å; Y317-F574 AromaticContact CD2-CG 3.75Å; Y317-F574 HydrophobicContact CD2-CG 3.75Å; Y317-F574 AromaticContact CE1-CD2 3.95Å; Y317-F574 HydrophobicContact CE1-CD2 3.95Å; Y317-F574 HydrophobicContact CE1-CE2 4.27Å; Y317-F574 HydrophobicContact CE1-CG 4.16Å; Y317-F574 AromaticContact CE2-CD1 3.72Å; Y317-F574 HydrophobicContact CE2-CD1 3.72Å; Y317-F574 HydrophobicContact CE2-CD2 4.35Å; Y317-F574 AromaticContact CE2-CE1 3.75Å; Y317-F574 HydrophobicContact CE2-CE1 3.75Å; Y317-F574 HydrophobicContact CE2-CE2 4.37Å; Y317-F574 HydrophobicContact CE2-CG 4.04Å; Y317-F574 HydrophobicContact CE2-CZ 4.09Å; Y317-F574 HydrophobicContact CG-CB 3.54Å; Y317-F574 AromaticContact CG-CD1 3.93Å; Y317-F574 HydrophobicContact CG-CD1 3.93Å; Y317-F574 HydrophobicContact CG-CD2 4.3Å; Y317-F574 AromaticContact CG-CG 3.67Å; Y317-F574 HydrophobicContact CG-CG 3.67Å; Y317-Y581 HydrophobicContact CD2-CD1 4.35Å; Y317-Y581 HydrophobicContact CD2-CD2 4.39Å; Y317-Y581 HydrophobicContact CD2-CE1 4.24Å; Y317-Y581 HydrophobicContact CD2-CE2 4.25Å; Y317-Y581 HydrophobicContact CD2-CG 4.42Å
318	P	98.5	Very high	98.1	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.013	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-61.5	138	-178.1	-16.7	25.4	0	0	0	112.8	W285 L320 G321 Y323 W562	W285-P318 HydrophobicContact CH2-CB 4.41Å; W285-P318 HydrophobicContact CH2-CG 3.41Å; W285-P318 VanDerWaalsContact CH2-CG 3.41Å; W285-P318 HydrophobicContact CZ2-CG 4.29Å; W285-P318 HydrophobicContact CZ3-CG 3.56Å; P318-L320 PolarHBondContact O-N 3.5Å; P318-G321 WeakPolarHBondContact CB-O 3.38Å; P318-G321 WeakPolarHBondContact O-CA 3.24Å; P318-G321 PolarHBondContact O-N 3.31Å; P318-Y323 HydrophobicContact CB-CD1 4.39Å; P318-Y323 HydrophobicContact CB-CE1 4.16Å; P318-W562 HydrophobicContact CB-CH2 3.79Å; P318-W562 HydrophobicContact CB-CZ2 3.45Å; P318-W562 VanDerWaalsContact CB-CZ2 3.45Å; P318-W562 HydrophobicContact CB-CZ3 4.44Å; P318-W562 HydrophobicContact CG-CD2 3.92Å; P318-W562 HydrophobicContact CG-CE3 4.16Å; P318-W562 HydrophobicContact CG-CH2 3.97Å; P318-W562 HydrophobicContact CG-CZ2 3.68Å; P318-W562 HydrophobicContact CG-CZ3 4.17Å
319	S	98.1	Very high	98.1	Very high	39 Å²	39	30.8 Å²	30.8	27%	0.273	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.2	174.6	-66.4	0	0	0	0	113	G321 P570 A571 S572	S319-G321 VanDerWaalsContact C-N 3.25Å; S319-P570 PolarHBondContact N-O 2.86Å; S319-P570 VanDerWaalsContact OG-C 3.32Å; S319-P570 PolarHBondContact OG-O 2.85Å; S319-A571 VanDerWaalsContact OG-C 3.24Å; S319-A571 PolarHBondContact OG-N 3.07Å; S319-S572 WeakPolarHBondContact CA-OG 3.29Å; S319-S572 WeakPolarHBondContact CB-OG 3.47Å; S319-S572 PolarHBondContact OG-N 3.11Å; S319-S572 PolarHBondContact OG-OG 2.91Å
320	L	98.4	Very high	98.2	Very high	67 Å²	67	29.2 Å²	29.2	35%	0.351	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.1	172.3	-60.9	-177.4	0	0	0	113.4	P318 Y323 V330 Q333 W337	P318-L320 PolarHBondContact O-N 3.5Å; L320-Y323 HydrophobicContact CB-CD1 3.86Å; L320-Y323 HydrophobicContact CD1-CD1 4.49Å; L320-V330 HydrophobicContact CD1-CG1 4.23Å; L320-Q333 HydrophobicContact CD1-CG 4.42Å; L320-Q333 HydrophobicContact CD2-CG 4.43Å; L320-W337 HydrophobicContact CD1-CH2 3.9Å; L320-W337 HydrophobicContact CD1-CZ3 3.72Å; L320-W337 HydrophobicContact CD2-CH2 3.74Å; L320-W337 HydrophobicContact CD2-CZ2 4.48Å; L320-W337 HydrophobicContact CD2-CZ3 4.43Å; L320-W337 HydrophobicContact CG-CH2 3.63Å; L320-W337 HydrophobicContact CG-CZ3 3.93Å
321	G	98.1	Very high	98.3	Very high	18 Å²	18	25.2 Å²	25.2	19%	0.186	13%	0.133	C	C	.	.			trans	69	-165.4	-171	0	0	0	0	0	113	P318 S319 Y323	P318-G321 WeakPolarHBondContact CB-O 3.38Å; P318-G321 WeakPolarHBondContact O-CA 3.24Å; P318-G321 PolarHBondContact O-N 3.31Å; S319-G321 VanDerWaalsContact C-N 3.25Å; G321-Y323 VanDerWaalsContact C-N 3.26Å; G321-Y323 VanDerWaalsContact O-CD1 3.26Å; G321-Y323 WeakPolarHBondContact O-CD1 3.43Å; G321-Y323 PolarHBondContact O-N 2.96Å
322	C	98.4	Very high	98.4	Very high	14 Å²	14	24 Å²	24	10%	0.095	13%	0.128	C	C	.	.	S	Bend	trans	-73.7	79.2	177.3	-63.3	0	0	0	0	110.7	N275 Y282 W285 I312	N275-C322 WeakPolarHBondContact CB-O 3.37Å; N275-C322 PolarHBondContact ND2-O 3.29Å; Y282-C322 HydrophobicContact CD1-CB 3.86Å; Y282-C322 HydrophobicContact CE1-CB 3.56Å; W285-C322 HydrophobicContact CD2-CB 4.25Å; W285-C322 HydrophobicContact CG-CB 3.95Å; I312-C322 WeakPolarHBondContact CG2-SG 3.23Å
323	Y	98.8	Very high	98.4	Very high	6 Å²	6	26.5 Å²	26.5	2%	0.024	14%	0.14	C	C	.	.			trans	-78.3	170.1	-174.9	59.5	-106.9	0	0	0	113.5	Y273 W285 P318 L320 G321 V330 H334 N560 W562 E569	Y273-Y323 AromaticContact CD2-CE2 3.74Å; Y273-Y323 HydrophobicContact CD2-CE2 3.74Å; Y273-Y323 AromaticContact CG-CE2 3.98Å; Y273-Y323 HydrophobicContact CG-CE2 3.98Å; W285-Y323 HydrophobicContact CH2-CD1 4.26Å; W285-Y323 AromaticContact CH2-CE1 3.83Å; W285-Y323 HydrophobicContact CH2-CE1 3.83Å; W285-Y323 HydrophobicContact CH2-CE2 4.49Å; W285-Y323 AromaticContact CH2-CZ 3.98Å; W285-Y323 AromaticContact CZ2-CD1 3.76Å; W285-Y323 HydrophobicContact CZ2-CD1 3.76Å; W285-Y323 AromaticContact CZ2-CD2 3.96Å; W285-Y323 HydrophobicContact CZ2-CD2 3.96Å; W285-Y323 AromaticContact CZ2-CE1 3.71Å; W285-Y323 HydrophobicContact CZ2-CE1 3.71Å; W285-Y323 AromaticContact CZ2-CE2 3.89Å; W285-Y323 HydrophobicContact CZ2-CE2 3.89Å; W285-Y323 AromaticContact CZ2-CG 3.92Å; W285-Y323 HydrophobicContact CZ2-CG 3.92Å; W285-Y323 AromaticContact CZ2-CZ 3.8Å; W285-Y323 PolarHBondContact NE1-O 3.19Å; P318-Y323 HydrophobicContact CB-CD1 4.39Å; P318-Y323 HydrophobicContact CB-CE1 4.16Å; L320-Y323 HydrophobicContact CB-CD1 3.86Å; L320-Y323 HydrophobicContact CD1-CD1 4.49Å; G321-Y323 VanDerWaalsContact C-N 3.26Å; G321-Y323 VanDerWaalsContact O-CD1 3.26Å; G321-Y323 WeakPolarHBondContact O-CD1 3.43Å; G321-Y323 PolarHBondContact O-N 2.96Å; Y323-V330 HydrophobicContact CD1-CG1 4.46Å; Y323-V330 HydrophobicContact CD2-CG1 3.59Å; Y323-V330 HydrophobicContact CE2-CG1 3.99Å; Y323-V330 HydrophobicContact CG-CG1 3.83Å; Y323-V330 HydrophobicContact CG-CG2 4.32Å; Y323-H334 AromaticContact CE2-CE1 3.87Å; Y323-H334 AromaticContact CZ-CE1 3.57Å; Y323-H334 AromaticContact CZ-NE2 3.98Å; Y323-H334 PolarHBondContact OH-CE1 3.17Å; Y323-N560 PolarHBondContact OH-ND2 3.43Å; Y323-N560 VanDerWaalsContact OH-ND2 3.12Å; Y323-W562 AromaticContact CZ-NE1 3.99Å; Y323-W562 PolarHBondContact OH-NE1 2.8Å; Y323-E569 WeakPolarHBondContact CE1-OE1 3.39Å; Y323-E569 PolarHBondContact OH-OE2 2.79Å
324	S	98.8	Very high	98.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.			trans	-105.8	135.4	165.7	179.4	0	0	0	0	109.5	N275 F278 D279 R326 D327	N275-S324 PolarHBondContact ND2-N 3.39Å; F278-S324 WeakPolarHBondContact CB-OG 3.45Å; D279-S324 PolarHBondContact OD1-OG 3.12Å; D279-S324 WeakPolarHBondContact OD2-CB 3.38Å; D279-S324 PolarHBondContact OD2-OG 3.05Å; S324-R326 PolarHBondContact O-N 3.21Å; S324-R326 WeakPolarHBondContact OG-CB 3.33Å; S324-R326 PolarHBondContact OG-N 3.4Å; S324-D327 WeakPolarHBondContact O-CB 3.25Å; S324-D327 PolarHBondContact O-N 3.08Å; S324-D327 VanDerWaalsContact O-N 3.07Å
325	S	98.6	Very high	98.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.4	169	-64.4	0	0	0	0	112.5	W272 Y273 V331 I366	W272-S325 PolarHBondContact N-OG 3.39Å; Y273-S325 PolarHBondContact N-OG 3.06Å; Y273-S325 PolarHBondContact O-N 2.91Å; S325-V331 WeakPolarHBondContact O-CG2 3.11Å; S325-I366 VanDerWaalsContact O-CG2 3.24Å; S325-I366 WeakPolarHBondContact O-CG2 3.07Å
326	R	98.2	Very high	98.5	Very high	44 Å²	44	30.3 Å²	30.3	17%	0.166	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.2	171.6	-60.6	179.8	-175.1	55.2	18.1	113	F278 D279 S324 P328 L361 P362 H365 I366	F278-R326 HydrophobicContact CB-CB 4.49Å; F278-R326 HydrophobicContact CD1-CB 4.41Å; D279-R326 WeakPolarHBondContact OD1-CD 3.3Å; D279-R326 IonicContact OD1-CZ 2.7Å; D279-R326 IonicContact OD1-NE 3.78Å; D279-R326 PolarHBondContact OD1-NE 2.76Å; D279-R326 IonicContact OD1-NH1 3.87Å; D279-R326 PolarHBondContact OD1-NH1 3.33Å; S324-R326 PolarHBondContact O-N 3.21Å; S324-R326 WeakPolarHBondContact OG-CB 3.33Å; S324-R326 PolarHBondContact OG-N 3.4Å; R326-P328 WeakPolarHBondContact O-CD 3.28Å; R326-L361 VanDerWaalsContact NH2-CB 3.33Å; R326-P362 PolarHBondContact NH2-O 3.42Å; R326-H365 WeakPolarHBondContact CD-NE2 3.25Å; R326-H365 PolarHBondContact NE-CE1 3.28Å; R326-H365 VanDerWaalsContact NE-CE1 3.32Å; R326-H365 PolarHBondContact NE-NE2 2.99Å; R326-I366 HydrophobicContact CG-CD1 3.66Å; R326-I366 HydrophobicContact CG-CG1 3.92Å
327	D	98.6	Very high	98.6	Very high	23 Å²	23	31.3 Å²	31.3	12%	0.123	16%	0.16	C	C	.	.			trans	-79	116.3	173.9	-170.5	-24.3	0	0	0	109.9	F278 S324 F329 V330 V331	F278-D327 HydrophobicContact CD2-CB 4.17Å; F278-D327 HydrophobicContact CE1-CB 4.08Å; F278-D327 HydrophobicContact CE2-CB 3.64Å; F278-D327 VanDerWaalsContact CE2-OD2 3.24Å; F278-D327 WeakPolarHBondContact CE2-OD2 3.29Å; F278-D327 HydrophobicContact CZ-CB 3.59Å; F278-D327 WeakPolarHBondContact CZ-OD2 3.42Å; S324-D327 WeakPolarHBondContact O-CB 3.25Å; S324-D327 PolarHBondContact O-N 3.08Å; S324-D327 VanDerWaalsContact O-N 3.07Å; D327-F329 PolarHBondContact O-N 3.11Å; D327-F329 WeakPolarHBondContact OD1-CB 3.35Å; D327-F329 WeakPolarHBondContact OD1-CD2 3.35Å; D327-F329 PolarHBondContact OD1-N 3.43Å; D327-V330 HydrophobicContact CB-CB 4.13Å; D327-V330 HydrophobicContact CB-CG2 3.72Å; D327-V330 WeakPolarHBondContact O-CB 3.35Å; D327-V330 PolarHBondContact O-N 2.91Å; D327-V330 VanDerWaalsContact O-N 3.11Å; D327-V331 PolarHBondContact O-N 3.45Å
328	P	97.6	Very high	98.6	Very high	56 Å²	56	30.2 Å²	30.2	36%	0.364	16%	0.155	S	C	.	.	H	α-helix	trans	-61.6	-29.4	-179.5	25.4	-34.5	0	0	0	112.9	R326 V330 V331 A332	R326-P328 WeakPolarHBondContact O-CD 3.28Å; P328-V330 VanDerWaalsContact C-N 3.31Å; P328-V330 PolarHBondContact O-N 2.93Å; P328-V331 PolarHBondContact O-N 3.33Å; P328-A332 VanDerWaalsContact O-CB 3.27Å; P328-A332 WeakPolarHBondContact O-CB 3.45Å; P328-A332 PolarHBondContact O-N 3.03Å
329	F	98.5	Very high	98.6	Very high	166 Å²	166	31.8 Å²	31.8	73%	0.728	16%	0.161	S	C	*	.	H	α-helix	trans	-66.5	-36.2	177	-69.4	-73.5	0	0	0	112	D327 Q333	D327-F329 PolarHBondContact O-N 3.11Å; D327-F329 WeakPolarHBondContact OD1-CB 3.35Å; D327-F329 WeakPolarHBondContact OD1-CD2 3.35Å; D327-F329 PolarHBondContact OD1-N 3.43Å; F329-Q333 VanDerWaalsContact O-CB 3.27Å; F329-Q333 WeakPolarHBondContact O-CB 3.32Å; F329-Q333 PolarHBondContact O-N 3.44Å
330	V	98.9	Very high	98.5	Very high	12 Å²	12	35.5 Å²	35.5	7%	0.073	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-49.1	178.4	172.4	0	0	0	0	109.8	L320 Y323 D327 P328 A332 Q333 H334	L320-V330 HydrophobicContact CD1-CG1 4.23Å; Y323-V330 HydrophobicContact CD1-CG1 4.46Å; Y323-V330 HydrophobicContact CD2-CG1 3.59Å; Y323-V330 HydrophobicContact CE2-CG1 3.99Å; Y323-V330 HydrophobicContact CG-CG1 3.83Å; Y323-V330 HydrophobicContact CG-CG2 4.32Å; D327-V330 HydrophobicContact CB-CB 4.13Å; D327-V330 HydrophobicContact CB-CG2 3.72Å; D327-V330 WeakPolarHBondContact O-CB 3.35Å; D327-V330 PolarHBondContact O-N 2.91Å; D327-V330 VanDerWaalsContact O-N 3.11Å; P328-V330 VanDerWaalsContact C-N 3.31Å; P328-V330 PolarHBondContact O-N 2.93Å; V330-A332 PolarHBondContact O-N 3.01Å; V330-Q333 PolarHBondContact O-N 3.25Å; V330-H334 VanDerWaalsContact CG1-CE1 3.45Å; V330-H334 WeakPolarHBondContact CG1-CE1 3.32Å; V330-H334 PolarHBondContact O-CD2 2.97Å; V330-H334 VanDerWaalsContact O-CG 3.25Å; V330-H334 PolarHBondContact O-N 2.54Å
331	V	98.9	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-46.8	178	179.8	0	0	0	0	110.8	S325 D327 P328 Q333 H334 M335 N369 V370 E373	S325-V331 WeakPolarHBondContact O-CG2 3.11Å; D327-V331 PolarHBondContact O-N 3.45Å; P328-V331 PolarHBondContact O-N 3.33Å; V331-Q333 VanDerWaalsContact C-N 3.3Å; V331-Q333 PolarHBondContact O-N 2.78Å; V331-H334 PolarHBondContact O-N 2.83Å; V331-M335 HydrophobicContact CG1-CE 4.07Å; V331-M335 WeakPolarHBondContact O-CG 3.15Å; V331-M335 PolarHBondContact O-N 2.75Å; V331-N369 WeakPolarHBondContact CB-ND2 3.32Å; V331-N369 WeakPolarHBondContact CG2-ND2 3.47Å; V331-V370 HydrophobicContact CG1-CB 4.46Å; V331-V370 HydrophobicContact CG1-CG2 3.97Å; V331-E373 HydrophobicContact CG1-CB 4.05Å; V331-E373 HydrophobicContact CG1-CG 4.1Å
332	A	98.9	Very high	98.5	Very high	13 Å²	13	31.4 Å²	31.4	11%	0.107	15%	0.148	C	C	.	.	H	α-helix	trans	-57.9	-42.4	176.3	0	0	0	0	0	112.1	P328 V330 M335 K336 E373	P328-A332 VanDerWaalsContact O-CB 3.27Å; P328-A332 WeakPolarHBondContact O-CB 3.45Å; P328-A332 PolarHBondContact O-N 3.03Å; V330-A332 PolarHBondContact O-N 3.01Å; A332-M335 PolarHBondContact O-N 3.48Å; A332-K336 WeakPolarHBondContact O-CG 3.39Å; A332-K336 PolarHBondContact O-N 2.71Å; A332-K336 VanDerWaalsContact O-N 3.11Å; A332-E373 HydrophobicContact CB-CG 4.05Å; A332-E373 VanDerWaalsContact CB-OE2 3.24Å; A332-E373 WeakPolarHBondContact CB-OE2 3.38Å
333	Q	98.9	Very high	98.5	Very high	53 Å²	53	30.8 Å²	30.8	25%	0.248	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-39.6	178.6	-172.2	54.9	52.6	0	0	112.2	L320 F329 V330 V331 K336 W337	L320-Q333 HydrophobicContact CD1-CG 4.42Å; L320-Q333 HydrophobicContact CD2-CG 4.43Å; F329-Q333 VanDerWaalsContact O-CB 3.27Å; F329-Q333 WeakPolarHBondContact O-CB 3.32Å; F329-Q333 PolarHBondContact O-N 3.44Å; V330-Q333 PolarHBondContact O-N 3.25Å; V331-Q333 VanDerWaalsContact C-N 3.3Å; V331-Q333 PolarHBondContact O-N 2.78Å; Q333-K336 WeakPolarHBondContact O-CB 3.43Å; Q333-K336 PolarHBondContact O-N 3.05Å; Q333-W337 HydrophobicContact CG-CD2 4.11Å; Q333-W337 HydrophobicContact CG-CE3 4.2Å; Q333-W337 HydrophobicContact CG-CH2 4.05Å; Q333-W337 HydrophobicContact CG-CZ2 3.92Å; Q333-W337 HydrophobicContact CG-CZ3 4.18Å; Q333-W337 VanDerWaalsContact NE2-CE2 3.3Å; Q333-W337 PolarHBondContact O-N 3.42Å
334	H	98.9	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.6	-43	175.6	-68	175.6	0	0	0	112.2	Y269 Y323 V330 V331 K336 W337 M338 F559 E569	Y269-H334 HydrophobicContact CE2-CB 4.13Å; Y269-H334 AromaticContact CE2-ND1 3.31Å; Y269-H334 VanDerWaalsContact CE2-ND1 3.31Å; Y269-H334 WeakPolarHBondContact CE2-ND1 3.42Å; Y269-H334 AromaticContact CZ-ND1 3.51Å; Y269-H334 PolarHBondContact OH-ND1 2.8Å; Y323-H334 AromaticContact CE2-CE1 3.87Å; Y323-H334 AromaticContact CZ-CE1 3.57Å; Y323-H334 AromaticContact CZ-NE2 3.98Å; Y323-H334 PolarHBondContact OH-CE1 3.17Å; V330-H334 VanDerWaalsContact CG1-CE1 3.45Å; V330-H334 WeakPolarHBondContact CG1-CE1 3.32Å; V330-H334 PolarHBondContact O-CD2 2.97Å; V330-H334 VanDerWaalsContact O-CG 3.25Å; V330-H334 PolarHBondContact O-N 2.54Å; V331-H334 PolarHBondContact O-N 2.83Å; H334-K336 VanDerWaalsContact C-N 3.32Å; H334-K336 PolarHBondContact O-N 2.89Å; H334-W337 AromaticContact CD2-CE3 3.78Å; H334-W337 AromaticContact CD2-CZ3 3.84Å; H334-W337 PolarHBondContact O-N 3.49Å; H334-M338 HydrophobicContact CB-CE 4.3Å; H334-M338 PolarHBondContact O-N 2.86Å; H334-F559 HydrophobicContact CB-CE1 3.62Å; H334-F559 HydrophobicContact CB-CZ 3.93Å; H334-F559 AromaticContact CD2-CE1 3.65Å; H334-F559 AromaticContact CG-CE1 3.46Å; H334-F559 VanDerWaalsContact CG-CE1 3.46Å; H334-F559 AromaticContact ND1-CE1 3.88Å; H334-E569 IonicContact CE1-OE2 3.48Å; H334-E569 IonicContact NE2-OE1 3.46Å; H334-E569 PolarHBondContact NE2-OE1 3.46Å; H334-E569 IonicContact NE2-OE2 3.47Å
335	M	98.8	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-40.5	175.6	-60.1	-54.8	139.2	0	0	111.5	Y269 V331 A332 W337 M338 R339 V346 V370 E373 A374 Q377 L379	Y269-M335 HydrophobicContact CD1-CE 4.2Å; Y269-M335 HydrophobicContact CE1-CE 3.79Å; V331-M335 HydrophobicContact CG1-CE 4.07Å; V331-M335 WeakPolarHBondContact O-CG 3.15Å; V331-M335 PolarHBondContact O-N 2.75Å; A332-M335 PolarHBondContact O-N 3.48Å; M335-W337 PolarHBondContact O-N 2.88Å; M335-M338 HydrophobicContact CE-CE 3.57Å; M335-M338 PolarHBondContact O-N 3.04Å; M335-M338 HydrophobicContact SD-CE 3.55Å; M335-M338 VanDerWaalsContact SD-CE 3.55Å; M335-R339 WeakPolarHBondContact O-CB 3.43Å; M335-R339 PolarHBondContact O-N 3.25Å; M335-V346 HydrophobicContact CE-CG1 4.37Å; M335-V346 HydrophobicContact CE-CG2 4.49Å; M335-V346 HydrophobicContact SD-CG2 3.84Å; M335-V370 HydrophobicContact CE-CG1 3.82Å; M335-E373 HydrophobicContact CB-CB 4.45Å; M335-E373 HydrophobicContact CG-CB 3.75Å; M335-A374 HydrophobicContact SD-CB 4.01Å; M335-Q377 HydrophobicContact CB-CB 4.21Å; M335-Q377 HydrophobicContact CB-CG 3.64Å; M335-L379 HydrophobicContact CB-CD1 4.09Å; M335-L379 WeakPolarHBondContact O-CD1 3.45Å; M335-L379 HydrophobicContact SD-CD1 4Å
336	K	98.7	Very high	98.5	Very high	89 Å²	89	30.5 Å²	30.5	39%	0.387	14%	0.143	S	C	.	.	H	α-helix	trans	-61.2	-43.6	174.3	-72.6	173.7	-175.8	176.2	0	111.8	A332 Q333 H334 R339 Q340 Q377	A332-K336 WeakPolarHBondContact O-CG 3.39Å; A332-K336 PolarHBondContact O-N 2.71Å; A332-K336 VanDerWaalsContact O-N 3.11Å; Q333-K336 WeakPolarHBondContact O-CB 3.43Å; Q333-K336 PolarHBondContact O-N 3.05Å; H334-K336 VanDerWaalsContact C-N 3.32Å; H334-K336 PolarHBondContact O-N 2.89Å; K336-R339 WeakPolarHBondContact O-CB 3.47Å; K336-R339 PolarHBondContact O-N 3.43Å; K336-Q340 WeakPolarHBondContact O-CB 3.38Å; K336-Q340 WeakPolarHBondContact O-CG 3.17Å; K336-Q340 PolarHBondContact O-N 3.38Å; K336-Q377 HydrophobicContact CG-CG 4.33Å
337	W	98.8	Very high	98.6	Very high	32 Å²	32	28.4 Å²	28.4	12%	0.121	14%	0.135	C	C	.	.	H	α-helix	trans	-65.6	-41.6	177.6	-76.4	-27.8	0	0	0	112.9	L320 Q333 H334 M335 Q340 A341 F559 E569 P570 L593	L320-W337 HydrophobicContact CD1-CH2 3.9Å; L320-W337 HydrophobicContact CD1-CZ3 3.72Å; L320-W337 HydrophobicContact CD2-CH2 3.74Å; L320-W337 HydrophobicContact CD2-CZ2 4.48Å; L320-W337 HydrophobicContact CD2-CZ3 4.43Å; L320-W337 HydrophobicContact CG-CH2 3.63Å; L320-W337 HydrophobicContact CG-CZ3 3.93Å; Q333-W337 HydrophobicContact CG-CD2 4.11Å; Q333-W337 HydrophobicContact CG-CE3 4.2Å; Q333-W337 HydrophobicContact CG-CH2 4.05Å; Q333-W337 HydrophobicContact CG-CZ2 3.92Å; Q333-W337 HydrophobicContact CG-CZ3 4.18Å; Q333-W337 VanDerWaalsContact NE2-CE2 3.3Å; Q333-W337 PolarHBondContact O-N 3.42Å; H334-W337 AromaticContact CD2-CE3 3.78Å; H334-W337 AromaticContact CD2-CZ3 3.84Å; H334-W337 PolarHBondContact O-N 3.49Å; M335-W337 PolarHBondContact O-N 2.88Å; W337-Q340 PolarHBondContact O-N 3.12Å; W337-A341 WeakPolarHBondContact O-CB 3.25Å; W337-A341 PolarHBondContact O-N 3.4Å; W337-F559 HydrophobicContact CB-CE2 4.08Å; W337-F559 HydrophobicContact CB-CZ 4.03Å; W337-F559 HydrophobicContact CE3-CZ 4.05Å; W337-E569 HydrophobicContact CE3-CG 4.17Å; W337-E569 HydrophobicContact CZ3-CG 3.84Å; W337-P570 HydrophobicContact CD2-CG 4.1Å; W337-P570 HydrophobicContact CE3-CG 4.22Å; W337-P570 HydrophobicContact CH2-CB 4.29Å; W337-P570 HydrophobicContact CH2-CG 3.95Å; W337-P570 HydrophobicContact CZ2-CB 4.4Å; W337-P570 HydrophobicContact CZ2-CG 3.83Å; W337-P570 HydrophobicContact CZ3-CG 4.16Å; W337-L593 HydrophobicContact CB-CD1 3.67Å; W337-L593 HydrophobicContact CB-CD2 4.31Å; W337-L593 HydrophobicContact CD2-CD1 4.27Å; W337-L593 HydrophobicContact CG-CD1 3.58Å
338	M	98.8	Very high	98.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.5	-42	175.4	-73.5	-174	-81	0	0	111.9	A267 Y269 H334 M335 A341 G342 I343 V346 L379 F559	A267-M338 HydrophobicContact CB-SD 4.4Å; Y269-M338 HydrophobicContact CD2-CE 4.44Å; Y269-M338 HydrophobicContact CG-CE 4.49Å; H334-M338 HydrophobicContact CB-CE 4.3Å; H334-M338 PolarHBondContact O-N 2.86Å; M335-M338 HydrophobicContact CE-CE 3.57Å; M335-M338 PolarHBondContact O-N 3.04Å; M335-M338 HydrophobicContact SD-CE 3.55Å; M335-M338 VanDerWaalsContact SD-CE 3.55Å; M338-A341 PolarHBondContact O-N 2.82Å; M338-G342 PolarHBondContact O-N 3.37Å; M338-I343 HydrophobicContact CB-CB 4.24Å; M338-I343 HydrophobicContact CB-CD1 4.34Å; M338-I343 HydrophobicContact CG-CD1 4.14Å; M338-I343 WeakPolarHBondContact O-CB 3.47Å; M338-I343 PolarHBondContact O-N 3.14Å; M338-V346 HydrophobicContact CE-CB 4.44Å; M338-V346 HydrophobicContact CE-CG1 3.94Å; M338-V346 HydrophobicContact CE-CG2 3.62Å; M338-V346 HydrophobicContact SD-CB 4.4Å; M338-V346 HydrophobicContact SD-CG1 4.12Å; M338-V346 HydrophobicContact SD-CG2 3.66Å; M338-L379 HydrophobicContact CB-CD1 4.02Å; M338-F559 HydrophobicContact CG-CD2 3.39Å; M338-F559 HydrophobicContact CG-CE2 3.46Å; M338-F559 VanDerWaalsContact CG-CE2 3.46Å; M338-F559 HydrophobicContact CG-CG 4.07Å; M338-F559 HydrophobicContact CG-CZ 4.21Å; M338-F559 HydrophobicContact SD-CB 4.32Å; M338-F559 HydrophobicContact SD-CD2 3.91Å; M338-F559 HydrophobicContact SD-CE2 4.39Å; M338-F559 HydrophobicContact SD-CG 3.99Å
339	R	98.2	Very high	98.7	Very high	36 Å²	36	24.6 Å²	24.6	14%	0.136	11%	0.112	C	C	.	.	H	α-helix	trans	-56.4	-52.2	171	178.9	94.3	-167.7	169.7	-0.2	111.7	V261 M335 K336 A341 G342 Q377 K378 L379	V261-R339 HydrophobicContact CG1-CG 4.29Å; M335-R339 WeakPolarHBondContact O-CB 3.43Å; M335-R339 PolarHBondContact O-N 3.25Å; K336-R339 WeakPolarHBondContact O-CB 3.47Å; K336-R339 PolarHBondContact O-N 3.43Å; R339-A341 PolarHBondContact O-N 2.99Å; R339-G342 WeakPolarHBondContact O-CA 3.19Å; R339-G342 PolarHBondContact O-N 2.95Å; R339-Q377 HydrophobicContact CB-CB 4.36Å; R339-Q377 WeakPolarHBondContact CD-O 3.24Å; R339-Q377 PolarHBondContact NH1-O 2.84Å; R339-K378 PolarHBondContact NH1-O 3.39Å; R339-L379 HydrophobicContact CB-CD2 4.44Å
340	Q	96.9	Very high	98.7	Very high	116 Å²	116	16.8 Å²	16.8	54%	0.542	8%	0.077	S	C	.	.	H	α-helix	trans	-59.3	-35.6	-179.6	-74.1	169.9	3.1	0	0	111.8	K336 W337 G342	K336-Q340 WeakPolarHBondContact O-CB 3.38Å; K336-Q340 WeakPolarHBondContact O-CG 3.17Å; K336-Q340 PolarHBondContact O-N 3.38Å; W337-Q340 PolarHBondContact O-N 3.12Å; Q340-G342 PolarHBondContact O-N 3.13Å
341	A	98.4	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7	174.1	0	0	0	0	0	113.5	W337 M338 R339 I343 L593 T596 R597 I600	W337-A341 WeakPolarHBondContact O-CB 3.25Å; W337-A341 PolarHBondContact O-N 3.4Å; M338-A341 PolarHBondContact O-N 2.82Å; R339-A341 PolarHBondContact O-N 2.99Å; A341-I343 VanDerWaalsContact C-N 3.3Å; A341-I343 HydrophobicContact CB-CD1 3.89Å; A341-I343 HydrophobicContact CB-CG1 4.15Å; A341-L593 HydrophobicContact CB-CB 4.22Å; A341-L593 HydrophobicContact CB-CD2 4.26Å; A341-T596 HydrophobicContact CB-CG2 4.04Å; A341-R597 WeakPolarHBondContact O-CA 3.3Å; A341-R597 PolarHBondContact O-N 3.49Å; A341-R597 VanDerWaalsContact O-N 3.17Å; A341-I600 WeakPolarHBondContact O-CD1 3.4Å
342	G	98.3	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	7.5	-176.3	0	0	0	0	0	114.6	V261 D262 M338 R339 Q340 I600	V261-G342 CarbonylContact C-O 3.52Å; V261-G342 WeakPolarHBondContact CA-O 3.13Å; D262-G342 PolarHBondContact N-O 2.88Å; M338-G342 PolarHBondContact O-N 3.37Å; R339-G342 WeakPolarHBondContact O-CA 3.19Å; R339-G342 PolarHBondContact O-N 2.95Å; Q340-G342 PolarHBondContact O-N 3.13Å; G342-I600 VanDerWaalsContact C-CD1 3.4Å; G342-I600 WeakPolarHBondContact O-CD1 3.26Å
343	I	98.8	Very high	98.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.3	176.9	-62.2	160.2	0	0	0	107.9	V261 V265 A267 M338 A341 L379 I556 I568 T596 I600	V261-I343 WeakPolarHBondContact CG1-O 3.49Å; V265-I343 HydrophobicContact CG1-CG1 4.47Å; A267-I343 HydrophobicContact CB-CD1 3.95Å; A267-I343 HydrophobicContact CB-CG2 3.91Å; M338-I343 HydrophobicContact CB-CB 4.24Å; M338-I343 HydrophobicContact CB-CD1 4.34Å; M338-I343 HydrophobicContact CG-CD1 4.14Å; M338-I343 WeakPolarHBondContact O-CB 3.47Å; M338-I343 PolarHBondContact O-N 3.14Å; A341-I343 VanDerWaalsContact C-N 3.3Å; A341-I343 HydrophobicContact CB-CD1 3.89Å; A341-I343 HydrophobicContact CB-CG1 4.15Å; I343-L379 WeakPolarHBondContact O-CD2 3.43Å; I343-I556 HydrophobicContact CD1-CD1 3.73Å; I343-I556 HydrophobicContact CG1-CD1 3.84Å; I343-I568 HydrophobicContact CD1-CD1 3.83Å; I343-T596 HydrophobicContact CD1-CG2 4.15Å; I343-T596 HydrophobicContact CG1-CG2 4.01Å; I343-I600 HydrophobicContact CG1-CD1 4.15Å
344	G	98.7	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-25.8	178.8	0	0	0	0	0	114.2	D262 Y263 V265 L379 K380	D262-G344 VanDerWaalsContact O-CA 3.25Å; D262-G344 WeakPolarHBondContact O-CA 3.5Å; D262-G344 PolarHBondContact O-N 2.81Å; Y263-G344 VanDerWaalsContact CD1-O 3.29Å; Y263-G344 WeakPolarHBondContact CD1-O 3.3Å; V265-G344 PolarHBondContact O-N 2.99Å; G344-L379 CarbonylContact O-C 3.47Å; G344-L379 WeakPolarHBondContact O-CA 3.48Å; G344-K380 PolarHBondContact O-N 3.36Å
345	T	98.9	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.3	-174.2	-56.7	0	0	0	0	112.1	Y263 V265 H266 A267 K380 A382 Y414	Y263-T345 PolarHBondContact O-OG1 3.09Å; V265-T345 PolarHBondContact O-N 2.92Å; H266-T345 CarbonylContact C-O 3.55Å; H266-T345 VanDerWaalsContact CA-O 3.28Å; H266-T345 WeakPolarHBondContact CA-O 3.46Å; H266-T345 WeakPolarHBondContact CD2-CB 3.15Å; A267-T345 PolarHBondContact N-O 2.75Å; T345-K380 CarbonylContact C-O 3.21Å; T345-K380 WeakPolarHBondContact CA-O 3.19Å; T345-A382 HydrophobicContact CG2-CB 4.04Å; T345-Y414 HydrophobicContact CG2-CD1 4.01Å; T345-Y414 HydrophobicContact CG2-CD2 3.96Å; T345-Y414 HydrophobicContact CG2-CE1 4.38Å; T345-Y414 HydrophobicContact CG2-CE2 4.32Å; T345-Y414 HydrophobicContact CG2-CG 3.78Å; T345-Y414 WeakPolarHBondContact OG1-CD2 3.37Å; T345-Y414 WeakPolarHBondContact OG1-CE2 3.34Å
346	V	99	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.1	174.5	-173.5	0	0	0	0	108.3	Y269 M335 M338 V348 L379 K380 V381 A382	Y269-V346 VanDerWaalsContact CB-CG1 3.45Å; Y269-V346 HydrophobicContact CD1-CG1 3.69Å; Y269-V346 HydrophobicContact CG-CG1 3.78Å; M335-V346 HydrophobicContact CE-CG1 4.37Å; M335-V346 HydrophobicContact CE-CG2 4.49Å; M335-V346 HydrophobicContact SD-CG2 3.84Å; M338-V346 HydrophobicContact CE-CB 4.44Å; M338-V346 HydrophobicContact CE-CG1 3.94Å; M338-V346 HydrophobicContact CE-CG2 3.62Å; M338-V346 HydrophobicContact SD-CB 4.4Å; M338-V346 HydrophobicContact SD-CG1 4.12Å; M338-V346 HydrophobicContact SD-CG2 3.66Å; V346-V348 HydrophobicContact CG1-CG2 4.18Å; V346-L379 HydrophobicContact CG2-CD1 4.11Å; V346-K380 PolarHBondContact N-O 3.39Å; V346-V381 CarbonylContact O-C 3.6Å; V346-V381 VanDerWaalsContact O-CA 3.31Å; V346-V381 WeakPolarHBondContact O-CA 3.21Å; V346-A382 PolarHBondContact O-N 3.07Å
347	V	99	Very high	97.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	98.7	176.7	-169.7	0	0	0	0	108.6	H266 A267 F268 Y269 S349 A382 M384 Y423	H266-V347 HydrophobicContact CB-CG2 3.74Å; A267-V347 PolarHBondContact O-N 2.93Å; F268-V347 CarbonylContact C-O 3.33Å; F268-V347 WeakPolarHBondContact CA-O 3.4Å; F268-V347 HydrophobicContact CD1-CB 3.74Å; F268-V347 HydrophobicContact CD1-CG1 3.74Å; F268-V347 HydrophobicContact CD1-CG2 4.43Å; F268-V347 HydrophobicContact CE1-CB 4.15Å; F268-V347 HydrophobicContact CE1-CG1 3.84Å; Y269-V347 PolarHBondContact N-O 3.3Å; V347-S349 PolarHBondContact O-N 3.08Å; V347-A382 WeakPolarHBondContact CA-O 3.32Å; V347-A382 HydrophobicContact CG2-CB 4.31Å; V347-M384 HydrophobicContact CG1-CB 3.79Å; V347-Y423 HydrophobicContact CG1-CD2 3.63Å; V347-Y423 HydrophobicContact CG1-CE2 4.18Å; V347-Y423 HydrophobicContact CG1-CG 4.07Å; V347-Y423 HydrophobicContact CG2-CD2 4.32Å; V347-Y423 HydrophobicContact CG2-CE2 4.01Å
348	V	98.9	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.4	-174.3	-179.8	0	0	0	0	110	Y269 V271 V346 W350 V370 V381 A382 M384	Y269-V348 HydrophobicContact CD1-CG2 4.3Å; Y269-V348 WeakPolarHBondContact O-CA 3.28Å; V271-V348 HydrophobicContact CG1-CG1 4.31Å; V271-V348 HydrophobicContact CG2-CG1 3.91Å; V346-V348 HydrophobicContact CG1-CG2 4.18Å; V348-W350 PolarHBondContact O-N 2.66Å; V348-V370 HydrophobicContact CG2-CG1 3.75Å; V348-V381 HydrophobicContact CG2-CG1 3.63Å; V348-A382 PolarHBondContact N-O 3.3Å; V348-M384 PolarHBondContact O-N 2.92Å
349	S	98.8	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	118.4	165.6	170.7	0	0	0	0	109.4	Y269 Y270 W272 V347 E386	Y269-S349 PolarHBondContact O-N 3.19Å; Y270-S349 VanDerWaalsContact CD1-CB 3.5Å; W272-S349 WeakPolarHBondContact CZ2-OG 3.4Å; W272-S349 PolarHBondContact NE1-OG 2.81Å; V347-S349 PolarHBondContact O-N 3.08Å; S349-E386 WeakPolarHBondContact CB-OE1 3.38Å; S349-E386 VanDerWaalsContact OG-CD 3.31Å; S349-E386 VanDerWaalsContact OG-CG 3.23Å; S349-E386 WeakPolarHBondContact OG-CG 3.38Å; S349-E386 PolarHBondContact OG-OE1 2.95Å
350	W	98.8	Very high	97.3	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.6	-168.6	-175.9	89.3	0	0	0	112.1	V348 P352 D364 F383 M384 I385 E386 N399 Y402 I403	V348-W350 PolarHBondContact O-N 2.66Å; W350-P352 VanDerWaalsContact CH2-CA 3.46Å; W350-P352 HydrophobicContact CH2-CB 4.15Å; W350-P352 HydrophobicContact CH2-CG 4.21Å; W350-P352 HydrophobicContact CZ3-CB 4.42Å; W350-P352 HydrophobicContact CZ3-CG 3.99Å; W350-D364 PolarHBondContact NE1-OD1 3.48Å; W350-F383 HydrophobicContact CB-CD1 4.02Å; W350-F383 AromaticContact CD1-CD1 3.9Å; W350-F383 AromaticContact CG-CD1 3.98Å; W350-F383 HydrophobicContact CG-CD1 3.98Å; W350-M384 PolarHBondContact N-O 3.26Å; W350-I385 HydrophobicContact CD2-CD1 4.17Å; W350-I385 HydrophobicContact CE3-CD1 3.43Å; W350-I385 VanDerWaalsContact CE3-CD1 3.43Å; W350-I385 HydrophobicContact CE3-CG2 4.28Å; W350-I385 HydrophobicContact CZ3-CD1 3.92Å; W350-I385 HydrophobicContact CZ3-CG2 4.39Å; W350-E386 PolarHBondContact O-N 2.57Å; W350-N399 HydrophobicContact CH2-CB 3.8Å; W350-N399 HydrophobicContact CZ3-CB 3.83Å; W350-Y402 HydrophobicContact CH2-CD1 4.47Å; W350-Y402 AromaticContact CZ2-CD1 3.82Å; W350-Y402 HydrophobicContact CZ2-CD1 3.82Å; W350-Y402 HydrophobicContact CZ2-CE1 4.07Å; W350-I403 HydrophobicContact CD2-CD1 3.78Å; W350-I403 HydrophobicContact CD2-CG1 4.38Å; W350-I403 HydrophobicContact CE3-CD1 3.9Å; W350-I403 HydrophobicContact CG-CD1 4.38Å; W350-I403 HydrophobicContact CH2-CD1 4.04Å; W350-I403 HydrophobicContact CH2-CG1 4.26Å; W350-I403 HydrophobicContact CZ2-CD1 3.98Å; W350-I403 HydrophobicContact CZ2-CG1 3.86Å; W350-I403 HydrophobicContact CZ3-CD1 4.03Å
351	Y	98.6	Very high	97.2	Very high	16 Å²	16	27.8 Å²	27.8	6%	0.063	16%	0.158	C	C	.	.			trans	-113	152.2	169.7	-71.3	-88	0	0	0	109.8	W272 E355 E386 P387	W272-Y351 AromaticContact NE1-CE2 3.83Å; Y351-E355 WeakPolarHBondContact CB-O 3.25Å; Y351-E386 HydrophobicContact CD1-CB 3.93Å; Y351-E386 HydrophobicContact CD2-CB 4.28Å; Y351-E386 HydrophobicContact CD2-CG 4.21Å; Y351-E386 HydrophobicContact CE1-CB 3.48Å; Y351-E386 VanDerWaalsContact CE1-CB 3.48Å; Y351-E386 HydrophobicContact CE1-CG 4.24Å; Y351-E386 HydrophobicContact CE2-CB 3.87Å; Y351-E386 HydrophobicContact CE2-CG 3.69Å; Y351-E386 HydrophobicContact CG-CB 4.3Å; Y351-E386 VanDerWaalsContact CZ-CB 3.42Å; Y351-P387 WeakPolarHBondContact CE1-O 3.49Å
352	P	98	Very high	97.2	Very high	15 Å²	15	29.6 Å²	29.6	10%	0.097	17%	0.17	C	C	.	.			trans	-53.8	161.4	170.4	-24.1	33.6	0	0	0	113.3	W350 N354 E355 Y388	W350-P352 VanDerWaalsContact CH2-CA 3.46Å; W350-P352 HydrophobicContact CH2-CB 4.15Å; W350-P352 HydrophobicContact CH2-CG 4.21Å; W350-P352 HydrophobicContact CZ3-CB 4.42Å; W350-P352 HydrophobicContact CZ3-CG 3.99Å; P352-N354 PolarHBondContact O-N 2.69Å; P352-E355 HydrophobicContact CB-CB 4.27Å; P352-E355 HydrophobicContact CB-CG 3.97Å; P352-E355 HydrophobicContact CG-CG 4.32Å; P352-E355 WeakPolarHBondContact O-CB 3.35Å; P352-E355 PolarHBondContact O-N 3.32Å; P352-Y388 VanDerWaalsContact CD-CD1 3.43Å; P352-Y388 HydrophobicContact CG-CD1 3.63Å; P352-Y388 HydrophobicContact CG-CD2 3.91Å; P352-Y388 HydrophobicContact CG-CE1 3.61Å; P352-Y388 HydrophobicContact CG-CE2 3.89Å; P352-Y388 HydrophobicContact CG-CG 3.81Å
353	Q	94.7	Very high	97.1	Very high	99 Å²	99	29.8 Å²	29.8	46%	0.463	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	128.3	176.7	-64.3	172.8	95.8	0	0	110.8	E355 Y402	Q353-E355 PolarHBondContact O-N 2.87Å; Q353-Y402 HydrophobicContact CG-CE1 3.86Å; Q353-Y402 HydrophobicContact CG-CE2 4.01Å; Q353-Y402 VanDerWaalsContact CG-CZ 3.43Å; Q353-Y402 WeakPolarHBondContact CG-OH 3.34Å; Q353-Y402 PolarHBondContact OE1-OH 3.04Å
354	N	93.5	Very high	97.1	Very high	141 Å²	141	30.3 Å²	30.3	75%	0.754	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	5.7	-178.7	-43	-58.8	0	0	0	115.9	P352	P352-N354 PolarHBondContact O-N 2.69Å
355	E	96.4	Very high	97	Very high	78 Å²	78	35.6 Å²	35.6	36%	0.364	20%	0.198	S	C	.	.			trans	-99.4	153.1	172.6	-64.5	-67.3	162.3	0	0	110.8	Y351 P352 Q353 P362	Y351-E355 WeakPolarHBondContact CB-O 3.25Å; P352-E355 HydrophobicContact CB-CB 4.27Å; P352-E355 HydrophobicContact CB-CG 3.97Å; P352-E355 HydrophobicContact CG-CG 4.32Å; P352-E355 WeakPolarHBondContact O-CB 3.35Å; P352-E355 PolarHBondContact O-N 3.32Å; Q353-E355 PolarHBondContact O-N 2.87Å; E355-P362 WeakPolarHBondContact O-CA 3.45Å
356	S	95.8	Very high	96.9	Very high	37 Å²	37	35.9 Å²	35.9	26%	0.259	20%	0.2	S	C	.	.			trans	-157.1	173.5	170.7	63.5	0	0	0	0	109.4	G360	S356-G360 PolarHBondContact OG-O 3.29Å
357	D	95.3	Very high	96.9	Very high	45 Å²	45	36 Å²	36	24%	0.241	20%	0.2	C	C	.	.			trans	-70.5	-176.3	161.5	79.7	-0.6	0	0	0	111.4	H284 E359 G360	H284-D357 IonicContact CE1-OD1 2.71Å; H284-D357 PolarHBondContact CE1-OD1 3.04Å; H284-D357 IonicContact CE1-OD2 3.44Å; H284-D357 PolarHBondContact CE1-OD2 3.44Å; H284-D357 IonicContact ND1-OD2 2.65Å; H284-D357 IonicContact NE2-OD1 3.55Å; H284-D357 PolarHBondContact NE2-OD1 2.89Å; H284-D357 IonicContact NE2-OD2 3.68Å; D357-E359 VanDerWaalsContact C-N 3.27Å; D357-E359 PolarHBondContact O-N 3.04Å; D357-E359 WeakPolarHBondContact OD1-CA 3.37Å; D357-E359 PolarHBondContact OD1-N 3.32Å; D357-G360 PolarHBondContact OD1-N 2.87Å
358	A	94.4	Very high	96.9	Very high	75 Å²	75	38.5 Å²	38.5	62%	0.62	22%	0.217	S	C	*	.	S	Bend	trans	-79.1	-2.3	-178.6	0	0	0	0	0	114.7	R288	R288-A358 VanDerWaalsContact NH2-CB 3.26Å
359	E	96	Very high	96.9	Very high	9 Å²	9	40.4 Å²	40.4	4%	0.042	23%	0.227	C	C	.	.	S	Bend	trans	-113.1	-11.1	-176.8	-59.3	-63.1	147.8	0	0	113.6	Y283 H284 H287 R288 R305 D357	Y283-E359 WeakPolarHBondContact CD1-O 3.49Å; H284-E359 PolarHBondContact CD2-O 2.91Å; H284-E359 PolarHBondContact N-O 3.48Å; H287-E359 WeakPolarHBondContact NE2-CG 3.4Å; R288-E359 IonicContact CZ-OE1 3.1Å; R288-E359 PolarHBondContact N-OE2 3.16Å; R288-E359 IonicContact NE-OE1 3.6Å; R288-E359 PolarHBondContact NE-OE1 2.92Å; R288-E359 IonicContact NH2-OE1 3.43Å; R288-E359 PolarHBondContact NH2-OE1 3.2Å; R305-E359 IonicContact CZ-OE2 3.86Å; R305-E359 IonicContact NH1-OE2 3.75Å; R305-E359 PolarHBondContact NH1-OE2 2.9Å; R305-E359 IonicContact NH2-OE2 2.63Å; R305-E359 PolarHBondContact NH2-OE2 3.1Å; D357-E359 VanDerWaalsContact C-N 3.27Å; D357-E359 PolarHBondContact O-N 3.04Å; D357-E359 WeakPolarHBondContact OD1-CA 3.37Å; D357-E359 PolarHBondContact OD1-N 3.32Å
360	G	95.3	Very high	96.9	Very high	12 Å²	12	40.4 Å²	40.4	12%	0.124	23%	0.227	C	C	.	.	S	Bend	trans	-118.5	-170.8	-173.3	0	0	0	0	0	114.8	H284 S356 D357	H284-G360 WeakPolarHBondContact NE2-CA 3.36Å; H284-G360 PolarHBondContact NE2-N 3.14Å; S356-G360 PolarHBondContact OG-O 3.29Å; D357-G360 PolarHBondContact OD1-N 2.87Å
361	L	96.2	Very high	96.9	Very high	55 Å²	55	40.5 Å²	40.5	29%	0.288	23%	0.228	S	C	.	.			trans	-119.3	158.3	171.2	-71.1	177.3	0	0	0	108.1	D279 Y283 R326 S363	D279-L361 HydrophobicContact CB-CD1 4.41Å; Y283-L361 HydrophobicContact CD1-CG 4.15Å; Y283-L361 HydrophobicContact CD2-CD1 3.87Å; Y283-L361 HydrophobicContact CD2-CG 4.04Å; Y283-L361 HydrophobicContact CE1-CD1 4.45Å; Y283-L361 HydrophobicContact CE1-CD2 3.96Å; Y283-L361 HydrophobicContact CE1-CG 3.83Å; Y283-L361 HydrophobicContact CE2-CD1 3.39Å; Y283-L361 HydrophobicContact CE2-CD2 4.27Å; Y283-L361 HydrophobicContact CE2-CG 3.69Å; Y283-L361 HydrophobicContact CG-CG 4.26Å; R326-L361 VanDerWaalsContact NH2-CB 3.33Å; L361-S363 PolarHBondContact O-N 3.11Å
362	P	97.4	Very high	96.9	Very high	39 Å²	39	43.3 Å²	43.3	25%	0.253	24%	0.244	S	C	.	.			trans	-49.7	132.8	171.6	-28.3	36.1	0	0	0	111.7	R326 E355 H365	R326-P362 PolarHBondContact NH2-O 3.42Å; E355-P362 WeakPolarHBondContact O-CA 3.45Å; P362-H365 PolarHBondContact O-CE1 3.08Å; P362-H365 PolarHBondContact O-ND1 3.22Å
363	S	96.6	Very high	97	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.021	24%	0.244	C	C	.	.			trans	-114.7	-5.8	-168.7	60.4	0	0	0	0	114.2	L361 H365 I366	L361-S363 PolarHBondContact O-N 3.11Å; S363-H365 VanDerWaalsContact C-N 3.27Å; S363-H365 PolarHBondContact O-N 3.07Å; S363-I366 VanDerWaalsContact O-CB 3.26Å; S363-I366 WeakPolarHBondContact O-CB 3.47Å; S363-I366 WeakPolarHBondContact O-CG1 3.33Å; S363-I366 PolarHBondContact O-N 3.25Å
364	D	98.1	Very high	97.2	Very high	11 Å²	11	39 Å²	39	6%	0.059	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.1	-35.1	-176.6	179.8	71	0	0	0	113.2	W350 I366 V367 Y402 K406 Y407	W350-D364 PolarHBondContact NE1-OD1 3.48Å; D364-I366 PolarHBondContact O-N 2.73Å; D364-I366 VanDerWaalsContact O-N 3.15Å; D364-V367 WeakPolarHBondContact O-CB 2.97Å; D364-V367 WeakPolarHBondContact O-CG2 3.47Å; D364-V367 PolarHBondContact O-N 3.39Å; D364-V367 VanDerWaalsContact O-N 3.14Å; D364-Y402 PolarHBondContact OD2-OH 3Å; D364-K406 IonicContact OD2-NZ 2.75Å; D364-K406 PolarHBondContact OD2-NZ 3.37Å; D364-Y407 PolarHBondContact O-OH 2.72Å; D364-Y407 VanDerWaalsContact O-OH 3.08Å; D364-Y407 WeakPolarHBondContact OD1-CE2 3.44Å; D364-Y407 PolarHBondContact OD1-OH 2.87Å; D364-Y407 PolarHBondContact OD2-OH 3.14Å
365	H	96.6	Very high	97.4	Very high	111 Å²	111	36.6 Å²	36.6	51%	0.514	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-68.9	-10.3	177.6	67.8	-86.7	0	0	0	114.2	R326 P362 S363	R326-H365 WeakPolarHBondContact CD-NE2 3.25Å; R326-H365 PolarHBondContact NE-CE1 3.28Å; R326-H365 VanDerWaalsContact NE-CE1 3.32Å; R326-H365 PolarHBondContact NE-NE2 2.99Å; P362-H365 PolarHBondContact O-CE1 3.08Å; P362-H365 PolarHBondContact O-ND1 3.22Å; S363-H365 VanDerWaalsContact C-N 3.27Å; S363-H365 PolarHBondContact O-N 3.07Å
366	I	98.4	Very high	97.5	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-81.4	-25.7	175.6	-51.8	178	0	0	0	110.7	V271 S325 R326 S363 D364 N369 V370	V271-I366 HydrophobicContact CB-CD1 4.33Å; V271-I366 HydrophobicContact CB-CG2 4.31Å; V271-I366 HydrophobicContact CG1-CG2 4.24Å; S325-I366 VanDerWaalsContact O-CG2 3.24Å; S325-I366 WeakPolarHBondContact O-CG2 3.07Å; R326-I366 HydrophobicContact CG-CD1 3.66Å; R326-I366 HydrophobicContact CG-CG1 3.92Å; S363-I366 VanDerWaalsContact O-CB 3.26Å; S363-I366 WeakPolarHBondContact O-CB 3.47Å; S363-I366 WeakPolarHBondContact O-CG1 3.33Å; S363-I366 PolarHBondContact O-N 3.25Å; D364-I366 PolarHBondContact O-N 2.73Å; D364-I366 VanDerWaalsContact O-N 3.15Å; I366-N369 PolarHBondContact O-N 2.87Å; I366-N369 VanDerWaalsContact O-N 3.1Å; I366-V370 HydrophobicContact CG2-CG2 4.19Å; I366-V370 PolarHBondContact O-N 2.59Å
367	V	98.8	Very high	97.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	21%	0.214	C	C	.	.	H	α-helix	trans	-56.1	-43.4	-173.4	175.1	0	0	0	0	113.6	D364 N369 V370 L371 F383 Y407	D364-V367 WeakPolarHBondContact O-CB 2.97Å; D364-V367 WeakPolarHBondContact O-CG2 3.47Å; D364-V367 PolarHBondContact O-N 3.39Å; D364-V367 VanDerWaalsContact O-N 3.14Å; V367-N369 VanDerWaalsContact C-N 3.31Å; V367-N369 PolarHBondContact O-N 3.23Å; V367-V370 WeakPolarHBondContact O-CB 3.29Å; V367-V370 PolarHBondContact O-N 2.78Å; V367-V370 VanDerWaalsContact O-N 3.1Å; V367-L371 HydrophobicContact CG1-CD1 3.78Å; V367-L371 HydrophobicContact CG1-CG 4.24Å; V367-L371 WeakPolarHBondContact O-CG 3.47Å; V367-L371 PolarHBondContact O-N 3.34Å; V367-F383 HydrophobicContact CG1-CE1 3.75Å; V367-F383 HydrophobicContact CG1-CZ 3.8Å; V367-F383 HydrophobicContact CG2-CE1 4.26Å; V367-Y407 HydrophobicContact CB-CE1 3.94Å; V367-Y407 HydrophobicContact CB-CE2 4.12Å; V367-Y407 HydrophobicContact CG1-CD1 3.79Å; V367-Y407 HydrophobicContact CG1-CD2 3.86Å; V367-Y407 HydrophobicContact CG1-CE1 3.62Å; V367-Y407 HydrophobicContact CG1-CE2 3.7Å; V367-Y407 HydrophobicContact CG1-CG 3.91Å; V367-Y407 HydrophobicContact CG2-CE2 4.44Å
368	P	98.7	Very high	97.8	Very high	53 Å²	53	43.8 Å²	43.8	34%	0.344	23%	0.23	S	C	.	.	H	α-helix	trans	-54.6	-44.8	175.5	-27.5	35.8	0	0	0	113.2	V370 L371 D372 Y407	P368-V370 VanDerWaalsContact C-N 3.32Å; P368-V370 PolarHBondContact O-N 2.8Å; P368-L371 WeakPolarHBondContact O-CB 3.35Å; P368-L371 PolarHBondContact O-N 2.89Å; P368-D372 VanDerWaalsContact O-CG 3.32Å; P368-D372 PolarHBondContact O-N 3.14Å; P368-Y407 HydrophobicContact CG-CE1 4.09Å
369	N	98.8	Very high	98	Very high	40 Å²	40	40.3 Å²	40.3	21%	0.214	20%	0.201	C	C	.	.	H	α-helix	trans	-66.3	-35.3	178.3	-177.8	57.2	0	0	0	112.1	V331 I366 V367 E373	V331-N369 WeakPolarHBondContact CB-ND2 3.32Å; V331-N369 WeakPolarHBondContact CG2-ND2 3.47Å; I366-N369 PolarHBondContact O-N 2.87Å; I366-N369 VanDerWaalsContact O-N 3.1Å; V367-N369 VanDerWaalsContact C-N 3.31Å; V367-N369 PolarHBondContact O-N 3.23Å; N369-E373 WeakPolarHBondContact O-CB 3.38Å; N369-E373 WeakPolarHBondContact O-CG 3.24Å; N369-E373 PolarHBondContact O-N 2.7Å
370	V	98.9	Very high	98.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-43.6	173.2	174.2	0	0	0	0	111.2	Y269 V271 V331 M335 V348 I366 V367 P368 A374 V381	Y269-V370 HydrophobicContact CE1-CG1 4.5Å; Y269-V370 HydrophobicContact CE1-CG2 4.17Å; V271-V370 HydrophobicContact CG1-CG2 3.98Å; V331-V370 HydrophobicContact CG1-CB 4.46Å; V331-V370 HydrophobicContact CG1-CG2 3.97Å; M335-V370 HydrophobicContact CE-CG1 3.82Å; V348-V370 HydrophobicContact CG2-CG1 3.75Å; I366-V370 HydrophobicContact CG2-CG2 4.19Å; I366-V370 PolarHBondContact O-N 2.59Å; V367-V370 WeakPolarHBondContact O-CB 3.29Å; V367-V370 PolarHBondContact O-N 2.78Å; V367-V370 VanDerWaalsContact O-N 3.1Å; P368-V370 VanDerWaalsContact C-N 3.32Å; P368-V370 PolarHBondContact O-N 2.8Å; V370-A374 WeakPolarHBondContact O-CB 3.25Å; V370-A374 PolarHBondContact O-N 2.86Å; V370-V381 HydrophobicContact CG1-CG1 4.48Å; V370-V381 HydrophobicContact CG1-CG2 4.24Å
371	L	98.9	Very high	98.3	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-46.4	178.1	-74.3	164.4	0	0	0	111.9	V367 P368 A374 E375 V381 Y407 H410 A412	V367-L371 HydrophobicContact CG1-CD1 3.78Å; V367-L371 HydrophobicContact CG1-CG 4.24Å; V367-L371 WeakPolarHBondContact O-CG 3.47Å; V367-L371 PolarHBondContact O-N 3.34Å; P368-L371 WeakPolarHBondContact O-CB 3.35Å; P368-L371 PolarHBondContact O-N 2.89Å; L371-A374 PolarHBondContact O-N 3.23Å; L371-E375 PolarHBondContact O-N 2.83Å; L371-V381 HydrophobicContact CD2-CB 3.67Å; L371-V381 HydrophobicContact CD2-CG1 4.09Å; L371-V381 HydrophobicContact CD2-CG2 3.86Å; L371-Y407 HydrophobicContact CD1-CD1 3.67Å; L371-Y407 HydrophobicContact CD1-CG 3.98Å; L371-H410 VanDerWaalsContact C-CE1 3.43Å; L371-H410 HydrophobicContact CD1-CB 4.25Å; L371-H410 HydrophobicContact CD2-CB 4.27Å; L371-H410 PolarHBondContact O-CE1 2.64Å; L371-H410 VanDerWaalsContact O-CE1 3.25Å; L371-A412 HydrophobicContact CD2-CB 4.12Å; L371-A412 WeakPolarHBondContact O-CB 3.44Å
372	D	98.9	Very high	98.4	Very high	76 Å²	76	39.4 Å²	39.4	41%	0.406	19%	0.192	S	C	.	.	H	α-helix	trans	-61.3	-48	178.9	-71	-18.3	0	0	0	111.4	P368 E375 K376 H410	P368-D372 VanDerWaalsContact O-CG 3.32Å; P368-D372 PolarHBondContact O-N 3.14Å; D372-E375 PolarHBondContact O-N 3.11Å; D372-K376 WeakPolarHBondContact O-CG 3.37Å; D372-K376 PolarHBondContact O-N 2.78Å; D372-K376 VanDerWaalsContact O-N 3.15Å; D372-H410 IonicContact OD1-NE2 3.32Å; D372-H410 PolarHBondContact OD1-NE2 3.28Å
373	E	98.8	Very high	98.5	Very high	22 Å²	22	37.6 Å²	37.6	10%	0.103	18%	0.18	C	C	.	.	H	α-helix	trans	-70.1	-34.3	179.4	-67.8	-56.7	145.4	0	0	112.4	V331 A332 M335 N369 K376 Q377	V331-E373 HydrophobicContact CG1-CB 4.05Å; V331-E373 HydrophobicContact CG1-CG 4.1Å; A332-E373 HydrophobicContact CB-CG 4.05Å; A332-E373 VanDerWaalsContact CB-OE2 3.24Å; A332-E373 WeakPolarHBondContact CB-OE2 3.38Å; M335-E373 HydrophobicContact CB-CB 4.45Å; M335-E373 HydrophobicContact CG-CB 3.75Å; N369-E373 WeakPolarHBondContact O-CB 3.38Å; N369-E373 WeakPolarHBondContact O-CG 3.24Å; N369-E373 PolarHBondContact O-N 2.7Å; E373-K376 PolarHBondContact O-N 3.07Å; E373-K376 IonicContact OE1-NZ 2.7Å; E373-K376 PolarHBondContact OE1-NZ 2.84Å; E373-K376 WeakPolarHBondContact OE2-CD 3.27Å; E373-K376 IonicContact OE2-NZ 3.45Å; E373-Q377 PolarHBondContact O-N 2.79Å
374	A	98.9	Very high	98.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-44.6	173.1	0	0	0	0	0	111	M335 V370 L371 K376 Q377 K378 L379 V381 A412	M335-A374 HydrophobicContact SD-CB 4.01Å; V370-A374 WeakPolarHBondContact O-CB 3.25Å; V370-A374 PolarHBondContact O-N 2.86Å; L371-A374 PolarHBondContact O-N 3.23Å; A374-K376 PolarHBondContact O-N 3.47Å; A374-Q377 CarbonylContact O-C 3Å; A374-Q377 WeakPolarHBondContact O-CA 3.21Å; A374-Q377 PolarHBondContact O-N 2.93Å; A374-Q377 VanDerWaalsContact O-N 3.09Å; A374-K378 PolarHBondContact O-N 3.36Å; A374-L379 HydrophobicContact CB-CB 4.01Å; A374-L379 PolarHBondContact O-N 2.83Å; A374-V381 HydrophobicContact CB-CG2 3.56Å; A374-A412 HydrophobicContact CB-CB 4.13Å
375	E	98.7	Very high	98.6	Very high	92 Å²	92	36.9 Å²	36.9	43%	0.43	18%	0.176	S	C	.	.	H	α-helix	trans	-60.5	-43.5	177.3	-179.1	172.6	-178.8	0	0	112.3	L371 D372 Q377 K378 H410 A411 A412	L371-E375 PolarHBondContact O-N 2.83Å; D372-E375 PolarHBondContact O-N 3.11Å; E375-Q377 PolarHBondContact O-N 3.45Å; E375-K378 WeakPolarHBondContact O-CA 3.34Å; E375-K378 PolarHBondContact O-N 3.33Å; E375-H410 IonicContact OE2-CE1 3.59Å; E375-H410 PolarHBondContact OE2-CE1 3.24Å; E375-H410 IonicContact OE2-ND1 3.55Å; E375-H410 IonicContact OE2-NE2 3.23Å; E375-A411 HydrophobicContact CG-CB 4.49Å; E375-A412 HydrophobicContact CB-CB 4.13Å
376	K	98.5	Very high	98.7	Very high	131 Å²	131	32 Å²	32	57%	0.57	15%	0.153	S	C	*	.	H	α-helix	trans	-56.5	-33.3	175.7	-69.6	169.7	-165.2	172.4	0	112	D372 E373 A374	D372-K376 WeakPolarHBondContact O-CG 3.37Å; D372-K376 PolarHBondContact O-N 2.78Å; D372-K376 VanDerWaalsContact O-N 3.15Å; E373-K376 PolarHBondContact O-N 3.07Å; E373-K376 IonicContact OE1-NZ 2.7Å; E373-K376 PolarHBondContact OE1-NZ 2.84Å; E373-K376 WeakPolarHBondContact OE2-CD 3.27Å; E373-K376 IonicContact OE2-NZ 3.45Å; A374-K376 PolarHBondContact O-N 3.47Å
377	Q	97.9	Very high	98.7	Very high	46 Å²	46	33.7 Å²	33.7	22%	0.215	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	9.6	175.7	-57.3	-51.3	-55.2	0	0	113.1	M335 K336 R339 E373 A374 E375 L379	M335-Q377 HydrophobicContact CB-CB 4.21Å; M335-Q377 HydrophobicContact CB-CG 3.64Å; K336-Q377 HydrophobicContact CG-CG 4.33Å; R339-Q377 HydrophobicContact CB-CB 4.36Å; R339-Q377 WeakPolarHBondContact CD-O 3.24Å; R339-Q377 PolarHBondContact NH1-O 2.84Å; E373-Q377 PolarHBondContact O-N 2.79Å; A374-Q377 CarbonylContact O-C 3Å; A374-Q377 WeakPolarHBondContact O-CA 3.21Å; A374-Q377 PolarHBondContact O-N 2.93Å; A374-Q377 VanDerWaalsContact O-N 3.09Å; E375-Q377 PolarHBondContact O-N 3.45Å; Q377-L379 HydrophobicContact CB-CD1 4.12Å; Q377-L379 HydrophobicContact CB-CG 3.9Å; Q377-L379 PolarHBondContact O-N 3.11Å; Q377-L379 VanDerWaalsContact O-N 3.15Å
378	K	97.9	Very high	98.6	Very high	133 Å²	133	34.9 Å²	34.9	58%	0.578	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.2	43.5	-173.5	-39.7	171.9	178.9	179.1	0	111.9	Y263 R339 A374 E375	Y263-K378 WeakPolarHBondContact CE1-O 3.21Å; Y263-K378 PolarHBondContact OH-O 2.86Å; R339-K378 PolarHBondContact NH1-O 3.39Å; A374-K378 PolarHBondContact O-N 3.36Å; E375-K378 WeakPolarHBondContact O-CA 3.34Å; E375-K378 PolarHBondContact O-N 3.33Å
379	L	98.7	Very high	98.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	19%	0.185	C	C	.	.			trans	-95.6	165.5	169.8	-59.8	-178.2	0	0	0	109.2	V261 M335 M338 R339 I343 G344 V346 A374 Q377	V261-L379 HydrophobicContact CG1-CD2 4.02Å; M335-L379 HydrophobicContact CB-CD1 4.09Å; M335-L379 WeakPolarHBondContact O-CD1 3.45Å; M335-L379 HydrophobicContact SD-CD1 4Å; M338-L379 HydrophobicContact CB-CD1 4.02Å; R339-L379 HydrophobicContact CB-CD2 4.44Å; I343-L379 WeakPolarHBondContact O-CD2 3.43Å; G344-L379 CarbonylContact O-C 3.47Å; G344-L379 WeakPolarHBondContact O-CA 3.48Å; V346-L379 HydrophobicContact CG2-CD1 4.11Å; A374-L379 HydrophobicContact CB-CB 4.01Å; A374-L379 PolarHBondContact O-N 2.83Å; Q377-L379 HydrophobicContact CB-CD1 4.12Å; Q377-L379 HydrophobicContact CB-CG 3.9Å; Q377-L379 PolarHBondContact O-N 3.11Å; Q377-L379 VanDerWaalsContact O-N 3.15Å
380	K	98.9	Very high	98.1	Very high	57 Å²	57	44.9 Å²	44.9	25%	0.248	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	159	171	-61.9	-67.9	-177.9	173.8	0	111.1	Y263 G344 T345 V346 A411 A412 Y414	Y263-K380 HydrophobicContact CD1-CB 4.14Å; Y263-K380 HydrophobicContact CD1-CG 3.51Å; Y263-K380 HydrophobicContact CE1-CB 4.45Å; Y263-K380 HydrophobicContact CE1-CG 3.58Å; G344-K380 PolarHBondContact O-N 3.36Å; T345-K380 CarbonylContact C-O 3.21Å; T345-K380 WeakPolarHBondContact CA-O 3.19Å; V346-K380 PolarHBondContact N-O 3.39Å; K380-A411 PolarHBondContact NZ-O 3.46Å; K380-A412 CarbonylContact C-O 3.57Å; K380-A412 WeakPolarHBondContact CA-O 3.14Å; K380-A412 WeakPolarHBondContact CD-O 3.41Å; K380-Y414 HydrophobicContact CB-CD2 3.53Å; K380-Y414 HydrophobicContact CB-CG 4.1Å; K380-Y414 HydrophobicContact CG-CD2 3.95Å
381	V	99	Very high	98	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.2	-177	-178.6	0	0	0	0	109.8	V346 V348 V370 L371 A374 F383 A412 Y414	V346-V381 CarbonylContact O-C 3.6Å; V346-V381 VanDerWaalsContact O-CA 3.31Å; V346-V381 WeakPolarHBondContact O-CA 3.21Å; V348-V381 HydrophobicContact CG2-CG1 3.63Å; V370-V381 HydrophobicContact CG1-CG1 4.48Å; V370-V381 HydrophobicContact CG1-CG2 4.24Å; L371-V381 HydrophobicContact CD2-CB 3.67Å; L371-V381 HydrophobicContact CD2-CG1 4.09Å; L371-V381 HydrophobicContact CD2-CG2 3.86Å; A374-V381 HydrophobicContact CB-CG2 3.56Å; V381-F383 HydrophobicContact CG1-CE2 4.32Å; V381-F383 HydrophobicContact CG1-CZ 4.35Å; V381-A412 HydrophobicContact CG2-CB 4.38Å; V381-A412 PolarHBondContact N-O 2.86Å; V381-Y414 VanDerWaalsContact O-CB 3.28Å; V381-Y414 WeakPolarHBondContact O-CB 3.35Å; V381-Y414 PolarHBondContact O-N 2.8Å
382	A	98.9	Very high	98	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	173.7	167	0	0	0	0	0	109.6	T345 V346 V347 V348 Y414	T345-A382 HydrophobicContact CG2-CB 4.04Å; V346-A382 PolarHBondContact O-N 3.07Å; V347-A382 WeakPolarHBondContact CA-O 3.32Å; V347-A382 HydrophobicContact CG2-CB 4.31Å; V348-A382 PolarHBondContact N-O 3.3Å; A382-Y414 HydrophobicContact CB-CD1 4.04Å; A382-Y414 HydrophobicContact CB-CG 4.44Å
383	F	98.9	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135	-174.4	-66.6	-97.8	0	0	0	111	W350 V367 V381 I385 I403 Y407 F413 F422 Y423	W350-F383 HydrophobicContact CB-CD1 4.02Å; W350-F383 AromaticContact CD1-CD1 3.9Å; W350-F383 AromaticContact CG-CD1 3.98Å; W350-F383 HydrophobicContact CG-CD1 3.98Å; V367-F383 HydrophobicContact CG1-CE1 3.75Å; V367-F383 HydrophobicContact CG1-CZ 3.8Å; V367-F383 HydrophobicContact CG2-CE1 4.26Å; V381-F383 HydrophobicContact CG1-CE2 4.32Å; V381-F383 HydrophobicContact CG1-CZ 4.35Å; F383-I385 HydrophobicContact CB-CD1 4.4Å; F383-I403 HydrophobicContact CB-CD1 4.39Å; F383-I403 HydrophobicContact CD1-CD1 4.26Å; F383-I403 HydrophobicContact CD1-CG2 4.25Å; F383-I403 HydrophobicContact CD2-CG2 3.65Å; F383-I403 HydrophobicContact CE1-CG2 4.22Å; F383-I403 HydrophobicContact CE2-CG2 3.64Å; F383-I403 HydrophobicContact CG-CD1 4.3Å; F383-I403 HydrophobicContact CG-CG2 3.98Å; F383-I403 HydrophobicContact CZ-CG2 3.93Å; F383-Y407 HydrophobicContact CE1-CD2 4.11Å; F383-Y407 HydrophobicContact CE1-CE2 4.43Å; F383-Y407 AromaticContact CZ-CD2 3.83Å; F383-Y407 HydrophobicContact CZ-CD2 3.83Å; F383-Y407 HydrophobicContact CZ-CG 4.24Å; F383-F413 HydrophobicContact CD2-CE2 4.09Å; F383-F413 AromaticContact CE2-CD2 3.87Å; F383-F413 HydrophobicContact CE2-CD2 3.87Å; F383-F413 AromaticContact CE2-CE2 3.46Å; F383-F413 HydrophobicContact CE2-CE2 3.46Å; F383-F413 VanDerWaalsContact CE2-CE2 3.46Å; F383-F413 HydrophobicContact CE2-CZ 4.34Å; F383-F413 HydrophobicContact CZ-CE2 4.36Å; F383-F422 HydrophobicContact CB-CD1 3.89Å; F383-F422 HydrophobicContact CB-CE1 4.01Å; F383-F422 HydrophobicContact CD2-CE1 4.39Å; F383-F422 HydrophobicContact CG-CE1 4.42Å; F383-F422 WeakPolarHBondContact O-CA 3.43Å; F383-Y423 PolarHBondContact O-N 2.84Å
384	M	98.9	Very high	97.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.9	165.6	-177.4	173	69.3	0	0	109	F268 Y270 V347 V348 W350 E386 Y423 Y425 F478 Y480	F268-M384 HydrophobicContact CD1-CB 4.43Å; F268-M384 HydrophobicContact CD1-CE 4.16Å; F268-M384 HydrophobicContact CD1-SD 3.64Å; F268-M384 HydrophobicContact CE1-SD 3.66Å; F268-M384 HydrophobicContact CG-SD 4.45Å; F268-M384 HydrophobicContact CZ-SD 4.48Å; Y270-M384 HydrophobicContact CE1-CE 3.94Å; Y270-M384 VanDerWaalsContact OH-CE 3.31Å; Y270-M384 WeakPolarHBondContact OH-CE 3.3Å; V347-M384 HydrophobicContact CG1-CB 3.79Å; V348-M384 PolarHBondContact O-N 2.92Å; W350-M384 PolarHBondContact N-O 3.26Å; M384-E386 WeakPolarHBondContact CE-OE1 3.24Å; M384-E386 PolarHBondContact O-N 3.21Å; M384-Y423 CarbonylContact C-O 3.57Å; M384-Y423 VanDerWaalsContact CA-O 3.24Å; M384-Y423 WeakPolarHBondContact CA-O 3.44Å; M384-Y425 HydrophobicContact SD-CD2 4.11Å; M384-Y425 HydrophobicContact SD-CG 4.37Å; M384-F478 HydrophobicContact SD-CE2 4.49Å; M384-Y480 HydrophobicContact CE-CE2 4.47Å; M384-Y480 HydrophobicContact SD-CE2 4.38Å
385	I	98.9	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	113.6	179.2	-47.9	-59.5	0	0	0	108.9	W350 F383 Y388 R391 L396 F400 I403 F422 Y423 Y425	W350-I385 HydrophobicContact CD2-CD1 4.17Å; W350-I385 HydrophobicContact CE3-CD1 3.43Å; W350-I385 VanDerWaalsContact CE3-CD1 3.43Å; W350-I385 HydrophobicContact CE3-CG2 4.28Å; W350-I385 HydrophobicContact CZ3-CD1 3.92Å; W350-I385 HydrophobicContact CZ3-CG2 4.39Å; F383-I385 HydrophobicContact CB-CD1 4.4Å; I385-Y388 HydrophobicContact CG2-CE1 3.98Å; I385-R391 PolarHBondContact O-NH1 3.38Å; I385-L396 HydrophobicContact CG2-CD2 3.89Å; I385-F400 HydrophobicContact CG1-CE1 4.17Å; I385-I403 HydrophobicContact CD1-CD1 3.5Å; I385-I403 VanDerWaalsContact CD1-CD1 3.5Å; I385-F422 HydrophobicContact CD1-CD1 4.18Å; I385-F422 HydrophobicContact CG1-CD1 4.39Å; I385-Y423 PolarHBondContact N-O 3.12Å; I385-Y425 PolarHBondContact O-N 2.95Å
386	E	98.5	Very high	97.9	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.037	21%	0.21	C	C	.	.			trans	-74.3	163.7	179.5	-67.1	-66.7	176.5	0	0	112.3	S349 W350 Y351 M384 Y388 R391	S349-E386 WeakPolarHBondContact CB-OE1 3.38Å; S349-E386 VanDerWaalsContact OG-CD 3.31Å; S349-E386 VanDerWaalsContact OG-CG 3.23Å; S349-E386 WeakPolarHBondContact OG-CG 3.38Å; S349-E386 PolarHBondContact OG-OE1 2.95Å; W350-E386 PolarHBondContact O-N 2.57Å; Y351-E386 HydrophobicContact CD1-CB 3.93Å; Y351-E386 HydrophobicContact CD2-CB 4.28Å; Y351-E386 HydrophobicContact CD2-CG 4.21Å; Y351-E386 HydrophobicContact CE1-CB 3.48Å; Y351-E386 VanDerWaalsContact CE1-CB 3.48Å; Y351-E386 HydrophobicContact CE1-CG 4.24Å; Y351-E386 HydrophobicContact CE2-CB 3.87Å; Y351-E386 HydrophobicContact CE2-CG 3.69Å; Y351-E386 HydrophobicContact CG-CB 4.3Å; Y351-E386 VanDerWaalsContact CZ-CB 3.42Å; M384-E386 WeakPolarHBondContact CE-OE1 3.24Å; M384-E386 PolarHBondContact O-N 3.21Å; E386-Y388 VanDerWaalsContact O-CD1 3.24Å; E386-Y388 WeakPolarHBondContact O-CD1 3.45Å; E386-R391 PolarHBondContact O-NH1 2.87Å
387	P	97.6	Very high	97.9	Very high	41 Å²	41	41.9 Å²	41.9	27%	0.266	20%	0.196	S	C	.	.			trans	-71.2	131.8	167.6	29.1	-32.8	0	0	0	110.5	Y351 L429	Y351-P387 WeakPolarHBondContact CE1-O 3.49Å; P387-L429 HydrophobicContact CB-CD1 4.34Å
388	Y	96.5	Very high	97.9	Very high	27 Å²	27	42.7 Å²	42.7	11%	0.106	21%	0.207	C	C	.	.			trans	-136.2	165.8	174.6	52.7	-91.2	0	0	0	109.8	P352 I385 E386 E390 R391 N395 N399	P352-Y388 VanDerWaalsContact CD-CD1 3.43Å; P352-Y388 HydrophobicContact CG-CD1 3.63Å; P352-Y388 HydrophobicContact CG-CD2 3.91Å; P352-Y388 HydrophobicContact CG-CE1 3.61Å; P352-Y388 HydrophobicContact CG-CE2 3.89Å; P352-Y388 HydrophobicContact CG-CG 3.81Å; I385-Y388 HydrophobicContact CG2-CE1 3.98Å; E386-Y388 VanDerWaalsContact O-CD1 3.24Å; E386-Y388 WeakPolarHBondContact O-CD1 3.45Å; Y388-E390 PolarHBondContact O-N 2.65Å; Y388-R391 HydrophobicContact CD1-CB 4.47Å; Y388-R391 HydrophobicContact CD1-CG 4.49Å; Y388-R391 HydrophobicContact CD2-CB 3.99Å; Y388-R391 HydrophobicContact CE1-CB 4.22Å; Y388-R391 HydrophobicContact CE1-CG 3.86Å; Y388-R391 HydrophobicContact CE2-CB 3.69Å; Y388-R391 HydrophobicContact CE2-CG 3.99Å; Y388-R391 HydrophobicContact CG-CB 4.35Å; Y388-R391 WeakPolarHBondContact O-CB 3.35Å; Y388-R391 PolarHBondContact O-N 2.9Å; Y388-N395 PolarHBondContact OH-OD1 2.99Å; Y388-N399 VanDerWaalsContact CZ-ND2 3.31Å; Y388-N399 PolarHBondContact OH-ND2 2.96Å
389	K	93.9	Very high	97.9	Very high	156 Å²	156	37.3 Å²	37.3	68%	0.678	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	136.4	-178.6	-175.1	179.4	173.9	-162.1	0	110.4	R391	K389-R391 PolarHBondContact O-N 2.88Å; K389-R391 VanDerWaalsContact O-N 3.14Å
390	E	94.1	Very high	97.9	Very high	148 Å²	148	37.2 Å²	37.2	69%	0.692	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	19.7	178	-66.2	163.1	-153.8	0	0	114.8	Y388 S392 N395	Y388-E390 PolarHBondContact O-N 2.65Å; E390-S392 PolarHBondContact O-N 2.83Å; E390-N395 PolarHBondContact O-ND2 3.32Å
391	R	97.4	Very high	97.9	Very high	28 Å²	28	36.1 Å²	36.1	11%	0.106	18%	0.18	C	C	.	.			trans	-52.7	126.8	174.4	-174.8	165.6	75.6	165.2	7.2	111.7	I385 E386 Y388 K389 L396 Y425 D426 V430	I385-R391 PolarHBondContact O-NH1 3.38Å; E386-R391 PolarHBondContact O-NH1 2.87Å; Y388-R391 HydrophobicContact CD1-CB 4.47Å; Y388-R391 HydrophobicContact CD1-CG 4.49Å; Y388-R391 HydrophobicContact CD2-CB 3.99Å; Y388-R391 HydrophobicContact CE1-CB 4.22Å; Y388-R391 HydrophobicContact CE1-CG 3.86Å; Y388-R391 HydrophobicContact CE2-CB 3.69Å; Y388-R391 HydrophobicContact CE2-CG 3.99Å; Y388-R391 HydrophobicContact CG-CB 4.35Å; Y388-R391 WeakPolarHBondContact O-CB 3.35Å; Y388-R391 PolarHBondContact O-N 2.9Å; K389-R391 PolarHBondContact O-N 2.88Å; K389-R391 VanDerWaalsContact O-N 3.14Å; R391-L396 HydrophobicContact CG-CD1 4.24Å; R391-L396 HydrophobicContact CG-CD2 4.37Å; R391-L396 HydrophobicContact CG-CG 4.15Å; R391-Y425 VanDerWaalsContact CZ-O 3.25Å; R391-Y425 PolarHBondContact NH1-O 3.36Å; R391-Y425 PolarHBondContact NH2-O 3.23Å; R391-D426 VanDerWaalsContact NH2-C 3.29Å; R391-D426 PolarHBondContact NH2-O 3.03Å; R391-V430 HydrophobicContact CG-CG2 4Å
392	S	97.9	Very high	97.9	Very high	27 Å²	27	38.1 Å²	38.1	19%	0.189	19%	0.187	C	C	.	.			trans	-148.1	164	-172.7	65.9	0	0	0	0	110.3	E390 N394 N395 L396 Q434	E390-S392 PolarHBondContact O-N 2.83Å; S392-N394 PolarHBondContact O-N 2.84Å; S392-N395 PolarHBondContact N-ND2 2.83Å; S392-N395 PolarHBondContact N-OD1 2.85Å; S392-N395 PolarHBondContact O-N 3.16Å; S392-N395 PolarHBondContact O-OD1 2.75Å; S392-N395 VanDerWaalsContact OG-CG 3.27Å; S392-N395 PolarHBondContact OG-N 2.94Å; S392-N395 PolarHBondContact OG-ND2 2.81Å; S392-N395 VanDerWaalsContact OG-ND2 3.09Å; S392-L396 WeakPolarHBondContact O-CB 3.45Å; S392-L396 VanDerWaalsContact O-CG 3.3Å; S392-L396 WeakPolarHBondContact O-CG 3.47Å; S392-L396 PolarHBondContact O-N 3.46Å; S392-Q434 VanDerWaalsContact CB-OE1 3.31Å
393	G	98	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-35.9	176.1	0	0	0	0	0	112.8	R397 F445	G393-R397 PolarHBondContact O-N 2.81Å; G393-F445 VanDerWaalsContact C-CE2 3.47Å; G393-F445 WeakPolarHBondContact O-CE2 3.5Å
394	N	97.9	Very high	97.9	Very high	92 Å²	92	39.1 Å²	39.1	49%	0.492	19%	0.193	S	C	.	.	H	α-helix	trans	-66	-48.3	178.4	-75.1	-43.7	0	0	0	112.1	S392 R397 S398 F445	S392-N394 PolarHBondContact O-N 2.84Å; N394-R397 WeakPolarHBondContact O-CB 3.41Å; N394-R397 PolarHBondContact O-N 3.2Å; N394-S398 PolarHBondContact O-N 3Å; N394-S398 PolarHBondContact O-OG 2.75Å; N394-F445 WeakPolarHBondContact OD1-CD1 3.26Å
395	N	97.9	Very high	97.9	Very high	40 Å²	40	44.7 Å²	44.7	21%	0.214	22%	0.221	C	C	.	.	H	α-helix	trans	-75.6	-26.7	178.9	63.6	37.6	0	0	0	112.7	Y388 E390 S392 S398 N399	Y388-N395 PolarHBondContact OH-OD1 2.99Å; E390-N395 PolarHBondContact O-ND2 3.32Å; S392-N395 PolarHBondContact N-ND2 2.83Å; S392-N395 PolarHBondContact N-OD1 2.85Å; S392-N395 PolarHBondContact O-N 3.16Å; S392-N395 PolarHBondContact O-OD1 2.75Å; S392-N395 VanDerWaalsContact OG-CG 3.27Å; S392-N395 PolarHBondContact OG-N 2.94Å; S392-N395 PolarHBondContact OG-ND2 2.81Å; S392-N395 VanDerWaalsContact OG-ND2 3.09Å; N395-S398 PolarHBondContact O-N 2.78Å; N395-N399 WeakPolarHBondContact O-CB 3.13Å; N395-N399 PolarHBondContact O-N 3.48Å; N395-N399 PolarHBondContact O-ND2 3.26Å
396	L	98.7	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-42.4	168.8	-79.1	166.6	0	0	0	111.7	I385 R391 S392 S398 N399 F400 V430 W435 L438	I385-L396 HydrophobicContact CG2-CD2 3.89Å; R391-L396 HydrophobicContact CG-CD1 4.24Å; R391-L396 HydrophobicContact CG-CD2 4.37Å; R391-L396 HydrophobicContact CG-CG 4.15Å; S392-L396 WeakPolarHBondContact O-CB 3.45Å; S392-L396 VanDerWaalsContact O-CG 3.3Å; S392-L396 WeakPolarHBondContact O-CG 3.47Å; S392-L396 PolarHBondContact O-N 3.46Å; L396-S398 PolarHBondContact O-N 3.21Å; L396-N399 PolarHBondContact O-N 3.09Å; L396-F400 WeakPolarHBondContact O-CD2 3.33Å; L396-F400 VanDerWaalsContact O-CG 3.28Å; L396-F400 WeakPolarHBondContact O-CG 3.32Å; L396-F400 PolarHBondContact O-N 3.38Å; L396-V430 HydrophobicContact CD1-CG1 4.43Å; L396-V430 HydrophobicContact CD1-CG2 3.97Å; L396-W435 HydrophobicContact CD1-CH2 3.44Å; L396-W435 VanDerWaalsContact CD1-CH2 3.44Å; L396-W435 HydrophobicContact CD1-CZ2 3.74Å; L396-W435 HydrophobicContact CD1-CZ3 4.07Å; L396-L438 HydrophobicContact CB-CD2 3.97Å
397	R	98.7	Very high	97.9	Very high	73 Å²	73	49 Å²	49	28%	0.275	24%	0.239	S	C	.	.	H	α-helix	trans	-54.6	-53.7	170.9	-172.8	-176.7	-175.8	-88	-8.7	111	G393 N394 N399 F400 E401 L438 F445 I447	G393-R397 PolarHBondContact O-N 2.81Å; N394-R397 WeakPolarHBondContact O-CB 3.41Å; N394-R397 PolarHBondContact O-N 3.2Å; R397-N399 PolarHBondContact O-N 3.24Å; R397-F400 PolarHBondContact O-N 2.94Å; R397-E401 IonicContact CZ-OE1 3.65Å; R397-E401 IonicContact NE-OE1 2.86Å; R397-E401 IonicContact NH1-OE1 3.85Å; R397-E401 PolarHBondContact NH1-OE1 3.45Å; R397-E401 IonicContact NH1-OE2 3.41Å; R397-E401 IonicContact NH2-OE1 3.76Å; R397-E401 PolarHBondContact NH2-OE1 3.29Å; R397-E401 WeakPolarHBondContact O-CG 3.37Å; R397-E401 PolarHBondContact O-N 3.08Å; R397-L438 HydrophobicContact CB-CD1 3.65Å; R397-L438 HydrophobicContact CG-CD1 4.01Å; R397-F445 HydrophobicContact CB-CD2 4.48Å; R397-F445 WeakPolarHBondContact CD-O 3.04Å; R397-F445 PolarHBondContact NE-O 3.4Å; R397-I447 HydrophobicContact CG-CG2 4.05Å
398	S	98.6	Very high	98	Very high	64 Å²	64	47.1 Å²	47.1	45%	0.448	23%	0.228	S	C	.	.	H	α-helix	trans	-60.2	-33.6	178.8	-60.8	0	0	0	0	112.8	N394 N395 L396 Y402	N394-S398 PolarHBondContact O-N 3Å; N394-S398 PolarHBondContact O-OG 2.75Å; N395-S398 PolarHBondContact O-N 2.78Å; L396-S398 PolarHBondContact O-N 3.21Å; S398-Y402 VanDerWaalsContact O-CB 3.25Å; S398-Y402 WeakPolarHBondContact O-CB 3.44Å; S398-Y402 PolarHBondContact O-N 2.83Å
399	N	98.7	Very high	98.1	Very high	19 Å²	19	49.8 Å²	49.8	10%	0.102	26%	0.264	C	S	.	.	H	α-helix	trans	-71.3	-40.8	176.3	-71.7	-22.3	0	0	0	112.4	W350 Y388 N395 L396 R397 Y402 I403	W350-N399 HydrophobicContact CH2-CB 3.8Å; W350-N399 HydrophobicContact CZ3-CB 3.83Å; Y388-N399 VanDerWaalsContact CZ-ND2 3.31Å; Y388-N399 PolarHBondContact OH-ND2 2.96Å; N395-N399 WeakPolarHBondContact O-CB 3.13Å; N395-N399 PolarHBondContact O-N 3.48Å; N395-N399 PolarHBondContact O-ND2 3.26Å; L396-N399 PolarHBondContact O-N 3.09Å; R397-N399 PolarHBondContact O-N 3.24Å; N399-Y402 PolarHBondContact O-N 2.93Å; N399-I403 WeakPolarHBondContact O-CG1 3.35Å; N399-I403 PolarHBondContact O-N 2.9Å
400	F	98.8	Very high	98.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-46.7	172.5	-61.4	-27.9	0	0	0	110.8	I385 L396 R397 Y402 I403 I404 F422 V424 L438 I447 V456	I385-F400 HydrophobicContact CG1-CE1 4.17Å; L396-F400 WeakPolarHBondContact O-CD2 3.33Å; L396-F400 VanDerWaalsContact O-CG 3.28Å; L396-F400 WeakPolarHBondContact O-CG 3.32Å; L396-F400 PolarHBondContact O-N 3.38Å; R397-F400 PolarHBondContact O-N 2.94Å; F400-Y402 VanDerWaalsContact C-N 3.34Å; F400-Y402 PolarHBondContact O-N 3.08Å; F400-I403 PolarHBondContact O-N 3.42Å; F400-I404 WeakPolarHBondContact O-CB 3.49Å; F400-I404 WeakPolarHBondContact O-CD1 3.37Å; F400-I404 WeakPolarHBondContact O-CG1 3.37Å; F400-I404 PolarHBondContact O-N 2.98Å; F400-F422 HydrophobicContact CB-CE2 4.26Å; F400-F422 HydrophobicContact CD1-CB 4.47Å; F400-F422 HydrophobicContact CD1-CD1 4.03Å; F400-F422 AromaticContact CD1-CD2 3.72Å; F400-F422 HydrophobicContact CD1-CD2 3.72Å; F400-F422 HydrophobicContact CD1-CE1 4.17Å; F400-F422 AromaticContact CD1-CE2 3.87Å; F400-F422 HydrophobicContact CD1-CE2 3.87Å; F400-F422 AromaticContact CD1-CG 3.81Å; F400-F422 HydrophobicContact CD1-CG 3.81Å; F400-F422 HydrophobicContact CD1-CZ 4.09Å; F400-F422 HydrophobicContact CE1-CB 3.9Å; F400-F422 HydrophobicContact CE1-CD1 4.15Å; F400-F422 AromaticContact CE1-CD2 3.95Å; F400-F422 HydrophobicContact CE1-CD2 3.95Å; F400-F422 AromaticContact CE1-CG 3.73Å; F400-F422 HydrophobicContact CE1-CG 3.73Å; F400-F422 HydrophobicContact CG-CD2 4.3Å; F400-F422 HydrophobicContact CG-CE2 4.23Å; F400-V424 HydrophobicContact CZ-CG2 4.35Å; F400-L438 HydrophobicContact CE2-CD2 3.94Å; F400-I447 HydrophobicContact CD2-CD1 3.96Å; F400-I447 HydrophobicContact CD2-CG2 4.49Å; F400-I447 HydrophobicContact CE2-CD1 4.27Å; F400-V456 HydrophobicContact CE2-CG2 4.11Å; F400-V456 HydrophobicContact CZ-CG1 4.16Å; F400-V456 HydrophobicContact CZ-CG2 4.14Å
401	E	98.7	Very high	98.5	Very high	34 Å²	34	40 Å²	40	16%	0.159	23%	0.23	C	C	.	.	H	α-helix	trans	-55.9	-49.3	174.2	-68.9	179	-178.1	0	0	111.3	R397 I404 I405 Y452	R397-E401 IonicContact CZ-OE1 3.65Å; R397-E401 IonicContact NE-OE1 2.86Å; R397-E401 IonicContact NH1-OE1 3.85Å; R397-E401 PolarHBondContact NH1-OE1 3.45Å; R397-E401 IonicContact NH1-OE2 3.41Å; R397-E401 IonicContact NH2-OE1 3.76Å; R397-E401 PolarHBondContact NH2-OE1 3.29Å; R397-E401 WeakPolarHBondContact O-CG 3.37Å; R397-E401 PolarHBondContact O-N 3.08Å; E401-I404 PolarHBondContact O-N 3.27Å; E401-I405 HydrophobicContact CB-CD1 4.49Å; E401-I405 WeakPolarHBondContact O-CB 3.24Å; E401-I405 WeakPolarHBondContact O-CD1 3.41Å; E401-I405 WeakPolarHBondContact O-CG1 3.41Å; E401-I405 PolarHBondContact O-N 3.45Å; E401-Y452 HydrophobicContact CB-CD1 4.13Å; E401-Y452 HydrophobicContact CB-CE1 4.02Å; E401-Y452 HydrophobicContact CB-CG 4.45Å; E401-Y452 HydrophobicContact CG-CD1 3.8Å; E401-Y452 HydrophobicContact CG-CD2 3.6Å; E401-Y452 HydrophobicContact CG-CE1 3.89Å; E401-Y452 HydrophobicContact CG-CE2 3.69Å; E401-Y452 HydrophobicContact CG-CG 3.63Å
402	Y	98.9	Very high	98.6	Very high	42 Å²	42	38.7 Å²	38.7	17%	0.165	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-51.4	180	176.8	-99.1	0	0	0	112.6	W350 Q353 D364 S398 N399 F400 I404 I405 K406 Y407	W350-Y402 HydrophobicContact CH2-CD1 4.47Å; W350-Y402 AromaticContact CZ2-CD1 3.82Å; W350-Y402 HydrophobicContact CZ2-CD1 3.82Å; W350-Y402 HydrophobicContact CZ2-CE1 4.07Å; Q353-Y402 HydrophobicContact CG-CE1 3.86Å; Q353-Y402 HydrophobicContact CG-CE2 4.01Å; Q353-Y402 VanDerWaalsContact CG-CZ 3.43Å; Q353-Y402 WeakPolarHBondContact CG-OH 3.34Å; Q353-Y402 PolarHBondContact OE1-OH 3.04Å; D364-Y402 PolarHBondContact OD2-OH 3Å; S398-Y402 VanDerWaalsContact O-CB 3.25Å; S398-Y402 WeakPolarHBondContact O-CB 3.44Å; S398-Y402 PolarHBondContact O-N 2.83Å; N399-Y402 PolarHBondContact O-N 2.93Å; F400-Y402 VanDerWaalsContact C-N 3.34Å; F400-Y402 PolarHBondContact O-N 3.08Å; Y402-I404 VanDerWaalsContact C-N 3.33Å; Y402-I404 PolarHBondContact O-N 3.26Å; Y402-I405 PolarHBondContact O-N 3.1Å; Y402-K406 HydrophobicContact CE1-CD 3.78Å; Y402-K406 HydrophobicContact CE2-CB 4.5Å; Y402-K406 HydrophobicContact CE2-CD 3.86Å; Y402-K406 WeakPolarHBondContact O-CB 3.2Å; Y402-K406 PolarHBondContact O-N 3.34Å; Y402-K406 WeakPolarHBondContact OH-CD 3.45Å; Y402-K406 WeakPolarHBondContact OH-CE 3.31Å; Y402-K406 PolarHBondContact OH-NZ 2.88Å; Y402-Y407 HydrophobicContact CE1-CE2 4.26Å
403	I	98.9	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-42.5	-178.3	-69.6	166.1	0	0	0	110.5	W350 F383 I385 N399 F400 Y407 G408 F413 F422	W350-I403 HydrophobicContact CD2-CD1 3.78Å; W350-I403 HydrophobicContact CD2-CG1 4.38Å; W350-I403 HydrophobicContact CE3-CD1 3.9Å; W350-I403 HydrophobicContact CG-CD1 4.38Å; W350-I403 HydrophobicContact CH2-CD1 4.04Å; W350-I403 HydrophobicContact CH2-CG1 4.26Å; W350-I403 HydrophobicContact CZ2-CD1 3.98Å; W350-I403 HydrophobicContact CZ2-CG1 3.86Å; W350-I403 HydrophobicContact CZ3-CD1 4.03Å; F383-I403 HydrophobicContact CB-CD1 4.39Å; F383-I403 HydrophobicContact CD1-CD1 4.26Å; F383-I403 HydrophobicContact CD1-CG2 4.25Å; F383-I403 HydrophobicContact CD2-CG2 3.65Å; F383-I403 HydrophobicContact CE1-CG2 4.22Å; F383-I403 HydrophobicContact CE2-CG2 3.64Å; F383-I403 HydrophobicContact CG-CD1 4.3Å; F383-I403 HydrophobicContact CG-CG2 3.98Å; F383-I403 HydrophobicContact CZ-CG2 3.93Å; I385-I403 HydrophobicContact CD1-CD1 3.5Å; I385-I403 VanDerWaalsContact CD1-CD1 3.5Å; N399-I403 WeakPolarHBondContact O-CG1 3.35Å; N399-I403 PolarHBondContact O-N 2.9Å; F400-I403 PolarHBondContact O-N 3.42Å; I403-Y407 HydrophobicContact CB-CD2 4.45Å; I403-Y407 HydrophobicContact CG2-CD2 4.15Å; I403-Y407 WeakPolarHBondContact O-CA 3.28Å; I403-Y407 WeakPolarHBondContact O-CB 3.37Å; I403-Y407 PolarHBondContact O-N 3.27Å; I403-G408 PolarHBondContact O-N 2.74Å; I403-F413 HydrophobicContact CG2-CE2 3.74Å; I403-F413 HydrophobicContact CG2-CZ 4.12Å; I403-F422 HydrophobicContact CB-CE1 4.04Å; I403-F422 HydrophobicContact CB-CZ 4.14Å; I403-F422 HydrophobicContact CD1-CD1 4.46Å; I403-F422 HydrophobicContact CD1-CE1 3.73Å; I403-F422 HydrophobicContact CG2-CE1 3.67Å; I403-F422 HydrophobicContact CG2-CZ 3.87Å
404	I	98.9	Very high	98.7	Very high	23 Å²	23	38.1 Å²	38.1	12%	0.118	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-44.4	178.9	-66.7	167.1	0	0	0	111	F400 E401 Y402 G408 P420 F422 Y452 S454	F400-I404 WeakPolarHBondContact O-CB 3.49Å; F400-I404 WeakPolarHBondContact O-CD1 3.37Å; F400-I404 WeakPolarHBondContact O-CG1 3.37Å; F400-I404 PolarHBondContact O-N 2.98Å; E401-I404 PolarHBondContact O-N 3.27Å; Y402-I404 VanDerWaalsContact C-N 3.33Å; Y402-I404 PolarHBondContact O-N 3.26Å; I404-G408 WeakPolarHBondContact O-CA 3.26Å; I404-G408 PolarHBondContact O-N 3.29Å; I404-P420 HydrophobicContact CD1-CB 4.41Å; I404-P420 HydrophobicContact CD1-CG 3.87Å; I404-P420 HydrophobicContact CG1-CB 4.31Å; I404-P420 HydrophobicContact CG1-CG 3.85Å; I404-F422 HydrophobicContact CD1-CE2 4.26Å; I404-F422 HydrophobicContact CG1-CE2 4.38Å; I404-F422 HydrophobicContact CG1-CZ 4.17Å; I404-Y452 HydrophobicContact CB-CD1 4.42Å; I404-Y452 HydrophobicContact CD1-CD1 4.29Å; I404-Y452 HydrophobicContact CG2-CD1 4.32Å; I404-S454 WeakPolarHBondContact CD1-OG 3.36Å
405	I	98.8	Very high	98.7	Very high	116 Å²	116	38.5 Å²	38.5	60%	0.595	21%	0.214	S	C	*	.	H	α-helix	trans	-66.8	-47.2	179.7	-70.4	166.4	0	0	0	110.8	E401 Y402 Y452	E401-I405 HydrophobicContact CB-CD1 4.49Å; E401-I405 WeakPolarHBondContact O-CB 3.24Å; E401-I405 WeakPolarHBondContact O-CD1 3.41Å; E401-I405 WeakPolarHBondContact O-CG1 3.41Å; E401-I405 PolarHBondContact O-N 3.45Å; Y402-I405 PolarHBondContact O-N 3.1Å; I405-Y452 HydrophobicContact CD1-CE1 3.97Å; I405-Y452 HydrophobicContact CG1-CE1 3.99Å
406	K	98.7	Very high	98.7	Very high	91 Å²	91	37.2 Å²	37.2	40%	0.396	21%	0.206	S	C	.	.	H	α-helix	trans	-77.3	-40.2	-173	-171.1	173.7	175.4	-170.9	0	112.8	D364 Y402	D364-K406 IonicContact OD2-NZ 2.75Å; D364-K406 PolarHBondContact OD2-NZ 3.37Å; Y402-K406 HydrophobicContact CE1-CD 3.78Å; Y402-K406 HydrophobicContact CE2-CB 4.5Å; Y402-K406 HydrophobicContact CE2-CD 3.86Å; Y402-K406 WeakPolarHBondContact O-CB 3.2Å; Y402-K406 PolarHBondContact O-N 3.34Å; Y402-K406 WeakPolarHBondContact OH-CD 3.45Å; Y402-K406 WeakPolarHBondContact OH-CE 3.31Å; Y402-K406 PolarHBondContact OH-NZ 2.88Å
407	Y	98.8	Very high	98.6	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.027	24%	0.238	C	C	.	.	H	α-helix	trans	-117.3	-18.6	-170.4	-53.8	-53.4	0	0	0	113.8	D364 V367 P368 L371 F383 Y402 I403 G409 H410 F413	D364-Y407 PolarHBondContact O-OH 2.72Å; D364-Y407 VanDerWaalsContact O-OH 3.08Å; D364-Y407 WeakPolarHBondContact OD1-CE2 3.44Å; D364-Y407 PolarHBondContact OD1-OH 2.87Å; D364-Y407 PolarHBondContact OD2-OH 3.14Å; V367-Y407 HydrophobicContact CB-CE1 3.94Å; V367-Y407 HydrophobicContact CB-CE2 4.12Å; V367-Y407 HydrophobicContact CG1-CD1 3.79Å; V367-Y407 HydrophobicContact CG1-CD2 3.86Å; V367-Y407 HydrophobicContact CG1-CE1 3.62Å; V367-Y407 HydrophobicContact CG1-CE2 3.7Å; V367-Y407 HydrophobicContact CG1-CG 3.91Å; V367-Y407 HydrophobicContact CG2-CE2 4.44Å; P368-Y407 HydrophobicContact CG-CE1 4.09Å; L371-Y407 HydrophobicContact CD1-CD1 3.67Å; L371-Y407 HydrophobicContact CD1-CG 3.98Å; F383-Y407 HydrophobicContact CE1-CD2 4.11Å; F383-Y407 HydrophobicContact CE1-CE2 4.43Å; F383-Y407 AromaticContact CZ-CD2 3.83Å; F383-Y407 HydrophobicContact CZ-CD2 3.83Å; F383-Y407 HydrophobicContact CZ-CG 4.24Å; Y402-Y407 HydrophobicContact CE1-CE2 4.26Å; I403-Y407 HydrophobicContact CB-CD2 4.45Å; I403-Y407 HydrophobicContact CG2-CD2 4.15Å; I403-Y407 WeakPolarHBondContact O-CA 3.28Å; I403-Y407 WeakPolarHBondContact O-CB 3.37Å; I403-Y407 PolarHBondContact O-N 3.27Å; Y407-G409 PolarHBondContact O-N 3.02Å; Y407-G409 VanDerWaalsContact O-N 3.16Å; Y407-H410 VanDerWaalsContact O-CB 3.24Å; Y407-H410 WeakPolarHBondContact O-CB 3.29Å; Y407-H410 PolarHBondContact O-N 2.75Å; Y407-F413 WeakPolarHBondContact O-CD2 3.38Å
408	G	98.7	Very high	98.5	Very high	3 Å²	3	44 Å²	44	3%	0.031	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27	-173.3	0	0	0	0	0	114.5	I403 I404 H410 R415	I403-G408 PolarHBondContact O-N 2.74Å; I404-G408 WeakPolarHBondContact O-CA 3.26Å; I404-G408 PolarHBondContact O-N 3.29Å; G408-H410 PolarHBondContact O-N 2.7Å; G408-R415 PolarHBondContact O-NH1 2.97Å; G408-R415 PolarHBondContact O-NH2 3.4Å
409	G	98.5	Very high	98.5	Very high	83 Å²	83	44.3 Å²	44.3	86%	0.856	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-12.8	175.8	0	0	0	0	0	114.6	Y407	Y407-G409 PolarHBondContact O-N 3.02Å; Y407-G409 VanDerWaalsContact O-N 3.16Å
410	H	98.8	Very high	98.5	Very high	42 Å²	42	43.9 Å²	43.9	19%	0.194	23%	0.233	C	C	.	.	S	Bend	trans	-73.4	140.9	-176.6	-161.5	-83.6	0	0	0	112	L371 D372 E375 Y407 G408 A412 F413	L371-H410 VanDerWaalsContact C-CE1 3.43Å; L371-H410 HydrophobicContact CD1-CB 4.25Å; L371-H410 HydrophobicContact CD2-CB 4.27Å; L371-H410 PolarHBondContact O-CE1 2.64Å; L371-H410 VanDerWaalsContact O-CE1 3.25Å; D372-H410 IonicContact OD1-NE2 3.32Å; D372-H410 PolarHBondContact OD1-NE2 3.28Å; E375-H410 IonicContact OE2-CE1 3.59Å; E375-H410 PolarHBondContact OE2-CE1 3.24Å; E375-H410 IonicContact OE2-ND1 3.55Å; E375-H410 IonicContact OE2-NE2 3.23Å; Y407-H410 VanDerWaalsContact O-CB 3.24Å; Y407-H410 WeakPolarHBondContact O-CB 3.29Å; Y407-H410 PolarHBondContact O-N 2.75Å; G408-H410 PolarHBondContact O-N 2.7Å; H410-A412 WeakPolarHBondContact ND1-CB 3.44Å; H410-A412 PolarHBondContact ND1-N 3.44Å; H410-A412 PolarHBondContact O-N 2.82Å; H410-F413 HydrophobicContact CB-CB 4.49Å; H410-F413 VanDerWaalsContact O-CB 3.26Å; H410-F413 WeakPolarHBondContact O-CB 3.34Å; H410-F413 PolarHBondContact O-N 3.44Å
411	A	98.5	Very high	98.5	Very high	55 Å²	55	44 Å²	44	46%	0.455	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.4	-178.3	0	0	0	0	0	112.8	E375 K380 F413	E375-A411 HydrophobicContact CG-CB 4.49Å; K380-A411 PolarHBondContact NZ-O 3.46Å; A411-F413 VanDerWaalsContact C-N 3.33Å
412	A	98.8	Very high	98.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.3	172.7	0	0	0	0	0	114.6	L371 A374 E375 K380 V381 H410 Y414	L371-A412 HydrophobicContact CD2-CB 4.12Å; L371-A412 WeakPolarHBondContact O-CB 3.44Å; A374-A412 HydrophobicContact CB-CB 4.13Å; E375-A412 HydrophobicContact CB-CB 4.13Å; K380-A412 CarbonylContact C-O 3.57Å; K380-A412 WeakPolarHBondContact CA-O 3.14Å; K380-A412 WeakPolarHBondContact CD-O 3.41Å; V381-A412 HydrophobicContact CG2-CB 4.38Å; V381-A412 PolarHBondContact N-O 2.86Å; H410-A412 WeakPolarHBondContact ND1-CB 3.44Å; H410-A412 PolarHBondContact ND1-N 3.44Å; H410-A412 PolarHBondContact O-N 2.82Å; A412-Y414 PolarHBondContact O-N 3.28Å
413	F	98.9	Very high	98.6	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.031	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-65.2	122.3	-177.3	-168.5	-84.7	0	0	0	111.2	F383 I403 Y407 H410 A411 R415 P420	F383-F413 HydrophobicContact CD2-CE2 4.09Å; F383-F413 AromaticContact CE2-CD2 3.87Å; F383-F413 HydrophobicContact CE2-CD2 3.87Å; F383-F413 AromaticContact CE2-CE2 3.46Å; F383-F413 HydrophobicContact CE2-CE2 3.46Å; F383-F413 VanDerWaalsContact CE2-CE2 3.46Å; F383-F413 HydrophobicContact CE2-CZ 4.34Å; F383-F413 HydrophobicContact CZ-CE2 4.36Å; I403-F413 HydrophobicContact CG2-CE2 3.74Å; I403-F413 HydrophobicContact CG2-CZ 4.12Å; Y407-F413 WeakPolarHBondContact O-CD2 3.38Å; H410-F413 HydrophobicContact CB-CB 4.49Å; H410-F413 VanDerWaalsContact O-CB 3.26Å; H410-F413 WeakPolarHBondContact O-CB 3.34Å; H410-F413 PolarHBondContact O-N 3.44Å; A411-F413 VanDerWaalsContact C-N 3.33Å; F413-R415 HydrophobicContact CD1-CG 4.25Å; F413-P420 HydrophobicContact CE1-CB 3.66Å; F413-P420 HydrophobicContact CE1-CG 3.88Å; F413-P420 HydrophobicContact CZ-CB 3.99Å; F413-P420 HydrophobicContact CZ-CG 4.38Å
414	Y	98.9	Very high	98.6	Very high	9 Å²	9	40.3 Å²	40.3	4%	0.035	22%	0.218	C	C	.	.			trans	-74.6	134.3	-174.2	-173.4	-114	0	0	0	111.5	Y263 H266 T345 K380 V381 A382 A412 V421	Y263-Y414 WeakPolarHBondContact O-CE2 3.44Å; Y263-Y414 PolarHBondContact O-OH 3.49Å; H266-Y414 AromaticContact CE1-CE1 3.59Å; H266-Y414 AromaticContact CE1-CZ 3.92Å; H266-Y414 AromaticContact NE2-CE1 3.65Å; H266-Y414 AromaticContact NE2-CZ 3.49Å; H266-Y414 PolarHBondContact NE2-OH 3.31Å; T345-Y414 HydrophobicContact CG2-CD1 4.01Å; T345-Y414 HydrophobicContact CG2-CD2 3.96Å; T345-Y414 HydrophobicContact CG2-CE1 4.38Å; T345-Y414 HydrophobicContact CG2-CE2 4.32Å; T345-Y414 HydrophobicContact CG2-CG 3.78Å; T345-Y414 WeakPolarHBondContact OG1-CD2 3.37Å; T345-Y414 WeakPolarHBondContact OG1-CE2 3.34Å; K380-Y414 HydrophobicContact CB-CD2 3.53Å; K380-Y414 HydrophobicContact CB-CG 4.1Å; K380-Y414 HydrophobicContact CG-CD2 3.95Å; V381-Y414 VanDerWaalsContact O-CB 3.28Å; V381-Y414 WeakPolarHBondContact O-CB 3.35Å; V381-Y414 PolarHBondContact O-N 2.8Å; A382-Y414 HydrophobicContact CB-CD1 4.04Å; A382-Y414 HydrophobicContact CB-CG 4.44Å; A412-Y414 PolarHBondContact O-N 3.28Å; Y414-V421 HydrophobicContact CD1-CB 3.87Å; Y414-V421 HydrophobicContact CD1-CG2 3.65Å; Y414-V421 HydrophobicContact CE1-CB 4.1Å; Y414-V421 HydrophobicContact CE1-CG2 3.56Å
415	R	98.8	Very high	98.6	Very high	100 Å²	100	40.6 Å²	40.6	38%	0.377	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.2	172.2	-68.3	177	173.6	79.3	-3.4	109.3	G408 F413 K419	G408-R415 PolarHBondContact O-NH1 2.97Å; G408-R415 PolarHBondContact O-NH2 3.4Å; F413-R415 HydrophobicContact CD1-CG 4.25Å; R415-K419 CarbonylContact C-O 3.59Å; R415-K419 WeakPolarHBondContact CA-O 3.41Å
416	Y	98.4	Very high	98.5	Very high	13 Å²	13	36.3 Å²	36.3	5%	0.051	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.4	171.2	-177	-100.8	0	0	0	108.4	H252 G418 K419 I508 T552 F553	H252-Y416 AromaticContact CE1-CD2 3.69Å; H252-Y416 AromaticContact CE1-CE2 3.23Å; H252-Y416 WeakPolarHBondContact CE1-CE2 3.03Å; H252-Y416 AromaticContact NE2-CD2 3.77Å; H252-Y416 AromaticContact NE2-CE2 3.24Å; H252-Y416 WeakPolarHBondContact NE2-CE2 3.42Å; H252-Y416 AromaticContact NE2-CZ 3.93Å; Y416-G418 PolarHBondContact O-N 3.19Å; Y416-K419 PolarHBondContact N-O 3.42Å; Y416-K419 PolarHBondContact O-N 2.86Å; Y416-I508 HydrophobicContact CD1-CD1 3.78Å; Y416-I508 HydrophobicContact CE1-CD1 3.71Å; Y416-I508 HydrophobicContact CE1-CG1 4.33Å; Y416-T552 HydrophobicContact CE1-CG2 4.3Å; Y416-T552 HydrophobicContact CE2-CG2 4.08Å; Y416-T552 WeakPolarHBondContact OH-CG2 3.46Å; Y416-F553 HydrophobicContact CD1-CZ 4.09Å; Y416-F553 AromaticContact CD2-CE1 3.55Å; Y416-F553 HydrophobicContact CD2-CE1 3.55Å; Y416-F553 AromaticContact CD2-CZ 3.51Å; Y416-F553 HydrophobicContact CD2-CZ 3.51Å; Y416-F553 HydrophobicContact CE1-CZ 4.41Å; Y416-F553 AromaticContact CE2-CE1 3.62Å; Y416-F553 HydrophobicContact CE2-CE1 3.62Å; Y416-F553 AromaticContact CE2-CZ 3.84Å; Y416-F553 HydrophobicContact CE2-CZ 3.84Å; Y416-F553 HydrophobicContact CG-CE1 4.19Å; Y416-F553 AromaticContact CG-CZ 3.66Å; Y416-F553 HydrophobicContact CG-CZ 3.66Å
417	R	96.2	Very high	98.5	Very high	181 Å²	181	32.3 Å²	32.3	68%	0.683	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	44.9	-173.8	-59.2	177.1	-177.1	176.7	2.1	112.7	K419	R417-K419 PolarHBondContact O-N 3.06Å
418	G	97	Very high	98.3	Very high	34 Å²	34	37 Å²	37	35%	0.351	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	-8.4	178.9	0	0	0	0	0	115.8	Y416	Y416-G418 PolarHBondContact O-N 3.19Å
419	K	98.7	Very high	98.2	Very high	71 Å²	71	42.2 Å²	42.2	31%	0.309	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.2	-175.6	-65.6	-171.4	-173.8	-170.8	0	112.5	R415 Y416 R417 D453 I455	R415-K419 CarbonylContact C-O 3.59Å; R415-K419 WeakPolarHBondContact CA-O 3.41Å; Y416-K419 PolarHBondContact N-O 3.42Å; Y416-K419 PolarHBondContact O-N 2.86Å; R417-K419 PolarHBondContact O-N 3.06Å; K419-D453 WeakPolarHBondContact CE-OD2 3.4Å; K419-D453 IonicContact NZ-OD1 3.03Å; K419-D453 IonicContact NZ-OD2 3.44Å; K419-D453 PolarHBondContact NZ-OD2 2.76Å; K419-I455 HydrophobicContact CB-CG1 4.05Å; K419-I455 HydrophobicContact CD-CD1 4.3Å
420	P	98.8	Very high	98.2	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.058	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	148.3	167.8	-26.4	35.6	0	0	0	111.9	I404 F413 F422 S454 I455	I404-P420 HydrophobicContact CD1-CB 4.41Å; I404-P420 HydrophobicContact CD1-CG 3.87Å; I404-P420 HydrophobicContact CG1-CB 4.31Å; I404-P420 HydrophobicContact CG1-CG 3.85Å; F413-P420 HydrophobicContact CE1-CB 3.66Å; F413-P420 HydrophobicContact CE1-CG 3.88Å; F413-P420 HydrophobicContact CZ-CB 3.99Å; F413-P420 HydrophobicContact CZ-CG 4.38Å; P420-F422 HydrophobicContact CB-CD2 4.43Å; P420-F422 HydrophobicContact CB-CE2 3.76Å; P420-F422 HydrophobicContact CB-CZ 4.25Å; P420-S454 CarbonylContact O-C 3.46Å; P420-S454 WeakPolarHBondContact O-CA 3.41Å; P420-I455 PolarHBondContact O-N 3.27Å
421	V	98.9	Very high	98.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.6	176.1	-174.7	0	0	0	0	110.5	Y414 Y423 I455 L457	Y414-V421 HydrophobicContact CD1-CB 3.87Å; Y414-V421 HydrophobicContact CD1-CG2 3.65Å; Y414-V421 HydrophobicContact CE1-CB 4.1Å; Y414-V421 HydrophobicContact CE1-CG2 3.56Å; V421-Y423 HydrophobicContact CG1-CD2 4.39Å; V421-Y423 HydrophobicContact CG1-CE2 4Å; V421-I455 WeakPolarHBondContact CA-O 3.24Å; V421-I455 HydrophobicContact CG1-CB 4.46Å; V421-I455 HydrophobicContact CG1-CG2 4.23Å; V421-I455 HydrophobicContact CG2-CB 4.11Å; V421-I455 HydrophobicContact CG2-CG1 4.5Å; V421-I455 HydrophobicContact CG2-CG2 4.5Å; V421-L457 HydrophobicContact CG1-CD1 4.2Å
422	F	99	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.3	177.2	-65.7	-72.4	0	0	0	110.8	F383 I385 F400 I403 I404 P420 S454 I455 L457	F383-F422 HydrophobicContact CB-CD1 3.89Å; F383-F422 HydrophobicContact CB-CE1 4.01Å; F383-F422 HydrophobicContact CD2-CE1 4.39Å; F383-F422 HydrophobicContact CG-CE1 4.42Å; F383-F422 WeakPolarHBondContact O-CA 3.43Å; I385-F422 HydrophobicContact CD1-CD1 4.18Å; I385-F422 HydrophobicContact CG1-CD1 4.39Å; F400-F422 HydrophobicContact CB-CE2 4.26Å; F400-F422 HydrophobicContact CD1-CB 4.47Å; F400-F422 HydrophobicContact CD1-CD1 4.03Å; F400-F422 AromaticContact CD1-CD2 3.72Å; F400-F422 HydrophobicContact CD1-CD2 3.72Å; F400-F422 HydrophobicContact CD1-CE1 4.17Å; F400-F422 AromaticContact CD1-CE2 3.87Å; F400-F422 HydrophobicContact CD1-CE2 3.87Å; F400-F422 AromaticContact CD1-CG 3.81Å; F400-F422 HydrophobicContact CD1-CG 3.81Å; F400-F422 HydrophobicContact CD1-CZ 4.09Å; F400-F422 HydrophobicContact CE1-CB 3.9Å; F400-F422 HydrophobicContact CE1-CD1 4.15Å; F400-F422 AromaticContact CE1-CD2 3.95Å; F400-F422 HydrophobicContact CE1-CD2 3.95Å; F400-F422 AromaticContact CE1-CG 3.73Å; F400-F422 HydrophobicContact CE1-CG 3.73Å; F400-F422 HydrophobicContact CG-CD2 4.3Å; F400-F422 HydrophobicContact CG-CE2 4.23Å; I403-F422 HydrophobicContact CB-CE1 4.04Å; I403-F422 HydrophobicContact CB-CZ 4.14Å; I403-F422 HydrophobicContact CD1-CD1 4.46Å; I403-F422 HydrophobicContact CD1-CE1 3.73Å; I403-F422 HydrophobicContact CG2-CE1 3.67Å; I403-F422 HydrophobicContact CG2-CZ 3.87Å; I404-F422 HydrophobicContact CD1-CE2 4.26Å; I404-F422 HydrophobicContact CG1-CE2 4.38Å; I404-F422 HydrophobicContact CG1-CZ 4.17Å; P420-F422 HydrophobicContact CB-CD2 4.43Å; P420-F422 HydrophobicContact CB-CE2 3.76Å; P420-F422 HydrophobicContact CB-CZ 4.25Å; F422-S454 WeakPolarHBondContact CE2-OG 3.49Å; F422-I455 PolarHBondContact N-O 2.92Å; F422-L457 PolarHBondContact O-N 3.43Å
423	Y	98.9	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.2	164.9	-70.7	-106.4	0	0	0	107.6	H266 F268 V347 F383 M384 I385 V421 L457 F478 S510	H266-Y423 PolarHBondContact CE1-OH 3Å; H266-Y423 AromaticContact ND1-CE2 3.66Å; H266-Y423 AromaticContact ND1-CZ 3.56Å; H266-Y423 PolarHBondContact ND1-OH 3.31Å; F268-Y423 AromaticContact CE1-CD1 3.7Å; F268-Y423 HydrophobicContact CE1-CD1 3.7Å; F268-Y423 HydrophobicContact CE1-CE1 4.13Å; F268-Y423 HydrophobicContact CE1-CG 4.02Å; F268-Y423 AromaticContact CZ-CD1 3.78Å; F268-Y423 HydrophobicContact CZ-CD1 3.78Å; F268-Y423 AromaticContact CZ-CE1 3.95Å; F268-Y423 HydrophobicContact CZ-CE1 3.95Å; V347-Y423 HydrophobicContact CG1-CD2 3.63Å; V347-Y423 HydrophobicContact CG1-CE2 4.18Å; V347-Y423 HydrophobicContact CG1-CG 4.07Å; V347-Y423 HydrophobicContact CG2-CD2 4.32Å; V347-Y423 HydrophobicContact CG2-CE2 4.01Å; F383-Y423 PolarHBondContact O-N 2.84Å; M384-Y423 CarbonylContact C-O 3.57Å; M384-Y423 VanDerWaalsContact CA-O 3.24Å; M384-Y423 WeakPolarHBondContact CA-O 3.44Å; I385-Y423 PolarHBondContact N-O 3.12Å; V421-Y423 HydrophobicContact CG1-CD2 4.39Å; V421-Y423 HydrophobicContact CG1-CE2 4Å; Y423-L457 HydrophobicContact CD1-CB 4.49Å; Y423-L457 HydrophobicContact CD1-CD1 4.21Å; Y423-L457 HydrophobicContact CD2-CD1 4.44Å; Y423-L457 HydrophobicContact CE1-CD1 3.72Å; Y423-L457 HydrophobicContact CE2-CD1 3.96Å; Y423-F478 HydrophobicContact CD1-CB 3.83Å; Y423-F478 AromaticContact CD1-CD1 3.54Å; Y423-F478 HydrophobicContact CD1-CD1 3.54Å; Y423-F478 AromaticContact CD1-CD2 3.77Å; Y423-F478 HydrophobicContact CD1-CD2 3.77Å; Y423-F478 AromaticContact CD1-CE1 3.94Å; Y423-F478 HydrophobicContact CD1-CE1 3.94Å; Y423-F478 HydrophobicContact CD1-CE2 4.15Å; Y423-F478 AromaticContact CD1-CG 3.45Å; Y423-F478 HydrophobicContact CD1-CG 3.45Å; Y423-F478 VanDerWaalsContact CD1-CG 3.45Å; Y423-F478 HydrophobicContact CD1-CZ 4.22Å; Y423-F478 HydrophobicContact CE1-CB 3.66Å; Y423-F478 HydrophobicContact CE1-CD1 4.24Å; Y423-F478 HydrophobicContact CE1-CD2 4.29Å; Y423-F478 AromaticContact CE1-CG 3.84Å; Y423-F478 HydrophobicContact CE1-CG 3.84Å; Y423-F478 HydrophobicContact CG-CD1 4.41Å; Y423-F478 HydrophobicContact CG-CE1 4.48Å; Y423-S510 PolarHBondContact OH-OG 2.89Å
424	V	98.9	Very high	98	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	103.2	176.6	-172.8	0	0	0	0	109.2	F400 S427 W435 V456 L457 L459	F400-V424 HydrophobicContact CZ-CG2 4.35Å; V424-S427 WeakPolarHBondContact O-CB 3.46Å; V424-S427 PolarHBondContact O-N 2.57Å; V424-W435 HydrophobicContact CB-CH2 4.26Å; V424-W435 HydrophobicContact CG1-CH2 3.86Å; V424-W435 HydrophobicContact CG1-CZ2 3.93Å; V424-W435 HydrophobicContact CG2-CH2 4.01Å; V424-V456 HydrophobicContact CG2-CG1 3.73Å; V424-L457 PolarHBondContact N-O 2.95Å; V424-L459 PolarHBondContact O-N 2.81Å
425	Y	98.7	Very high	98	Very high	29 Å²	29	48 Å²	48	11%	0.114	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	140.3	179	-163.5	-108.4	0	0	0	110.3	M384 I385 R391 S427 L459 F478 Y480	M384-Y425 HydrophobicContact SD-CD2 4.11Å; M384-Y425 HydrophobicContact SD-CG 4.37Å; I385-Y425 PolarHBondContact O-N 2.95Å; R391-Y425 VanDerWaalsContact CZ-O 3.25Å; R391-Y425 PolarHBondContact NH1-O 3.36Å; R391-Y425 PolarHBondContact NH2-O 3.23Å; Y425-S427 PolarHBondContact O-N 2.96Å; Y425-S427 VanDerWaalsContact O-N 3.15Å; Y425-L459 HydrophobicContact CD2-CD2 3.86Å; Y425-L459 HydrophobicContact CE2-CD2 3.66Å; Y425-F478 HydrophobicContact CD2-CE2 4.31Å; Y425-F478 HydrophobicContact CD2-CZ 4.32Å; Y425-Y480 HydrophobicContact CD2-CD2 4.24Å; Y425-Y480 HydrophobicContact CD2-CE2 4.41Å; Y425-Y480 HydrophobicContact CD2-CG 4.31Å; Y425-Y480 AromaticContact CE2-CD1 3.46Å; Y425-Y480 HydrophobicContact CE2-CD1 3.46Å; Y425-Y480 VanDerWaalsContact CE2-CD1 3.46Å; Y425-Y480 AromaticContact CE2-CD2 3.86Å; Y425-Y480 HydrophobicContact CE2-CD2 3.86Å; Y425-Y480 AromaticContact CE2-CE1 3.65Å; Y425-Y480 HydrophobicContact CE2-CE1 3.65Å; Y425-Y480 HydrophobicContact CE2-CE2 4.03Å; Y425-Y480 AromaticContact CE2-CG 3.57Å; Y425-Y480 HydrophobicContact CE2-CG 3.57Å; Y425-Y480 AromaticContact CE2-CZ 3.92Å; Y425-Y480 AromaticContact CZ-CD1 3.96Å; Y425-Y480 AromaticContact CZ-CE1 3.85Å; Y425-Y480 WeakPolarHBondContact OH-CE1 3.39Å
426	D	97.9	Very high	98	Very high	26 Å²	26	47 Å²	47	14%	0.139	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	38.1	-173.4	-67.5	-18.5	0	0	0	114.1	R391 Y428 L429	R391-D426 VanDerWaalsContact NH2-C 3.29Å; R391-D426 PolarHBondContact NH2-O 3.03Å; D426-Y428 HydrophobicContact CB-CE1 4.31Å; D426-Y428 HydrophobicContact CB-CE2 4.32Å; D426-Y428 VanDerWaalsContact CG-OH 3.29Å; D426-Y428 PolarHBondContact O-N 3.04Å; D426-Y428 PolarHBondContact OD1-OH 2.82Å; D426-L429 HydrophobicContact CB-CD1 3.67Å; D426-L429 HydrophobicContact CB-CG 3.98Å; D426-L429 WeakPolarHBondContact O-CB 3.36Å; D426-L429 WeakPolarHBondContact O-CG 3.39Å; D426-L429 PolarHBondContact O-N 3.29Å
427	S	98	Very high	98	Very high	6 Å²	6	48 Å²	48	4%	0.042	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-53.2	-26.7	-177.4	63.9	0	0	0	0	114.1	V424 Y425 L429 V430 W435 A458 L459	V424-S427 WeakPolarHBondContact O-CB 3.46Å; V424-S427 PolarHBondContact O-N 2.57Å; Y425-S427 PolarHBondContact O-N 2.96Å; Y425-S427 VanDerWaalsContact O-N 3.15Å; S427-L429 PolarHBondContact O-N 2.94Å; S427-V430 PolarHBondContact O-N 2.77Å; S427-W435 PolarHBondContact O-NE1 3.45Å; S427-A458 VanDerWaalsContact OG-CB 3.29Å; S427-A458 WeakPolarHBondContact OG-CB 3.4Å; S427-L459 PolarHBondContact OG-N 3.4Å
428	Y	95.9	Very high	98.2	Very high	106 Å²	106	39.3 Å²	39.3	42%	0.416	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-66.8	-11.7	175.8	54	-101.9	0	0	0	114.4	D426 V430 L459 V461	D426-Y428 HydrophobicContact CB-CE1 4.31Å; D426-Y428 HydrophobicContact CB-CE2 4.32Å; D426-Y428 VanDerWaalsContact CG-OH 3.29Å; D426-Y428 PolarHBondContact O-N 3.04Å; D426-Y428 PolarHBondContact OD1-OH 2.82Å; Y428-V430 VanDerWaalsContact C-N 3.28Å; Y428-L459 HydrophobicContact CE1-CD2 3.94Å; Y428-L459 HydrophobicContact CE1-CG 4.37Å; Y428-V461 HydrophobicContact CD1-CG2 4.2Å; Y428-V461 HydrophobicContact CE1-CG2 3.62Å
429	L	96.3	Very high	98.2	Very high	112 Å²	112	37.9 Å²	37.9	59%	0.586	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-75.3	-16.4	172.5	-64.6	178.4	0	0	0	113	P387 D426 S427	P387-L429 HydrophobicContact CB-CD1 4.34Å; D426-L429 HydrophobicContact CB-CD1 3.67Å; D426-L429 HydrophobicContact CB-CG 3.98Å; D426-L429 WeakPolarHBondContact O-CB 3.36Å; D426-L429 WeakPolarHBondContact O-CG 3.39Å; D426-L429 PolarHBondContact O-N 3.29Å; S427-L429 PolarHBondContact O-N 2.94Å
430	V	97.6	Very high	98.2	Very high	7 Å²	7	38 Å²	38	4%	0.042	18%	0.183	C	C	.	.	S	Bend	trans	-95.7	133.3	175.9	174.5	0	0	0	0	109.4	R391 L396 S427 Y428 Q434 W435	R391-V430 HydrophobicContact CG-CG2 4Å; L396-V430 HydrophobicContact CD1-CG1 4.43Å; L396-V430 HydrophobicContact CD1-CG2 3.97Å; S427-V430 PolarHBondContact O-N 2.77Å; Y428-V430 VanDerWaalsContact C-N 3.28Å; V430-Q434 HydrophobicContact CG1-CB 4.02Å; V430-W435 HydrophobicContact CB-CZ2 4.15Å; V430-W435 HydrophobicContact CG1-CD2 4.42Å; V430-W435 HydrophobicContact CG1-CG 4.47Å; V430-W435 HydrophobicContact CG1-CZ2 4.43Å; V430-W435 HydrophobicContact CG2-CZ2 4.43Å
431	A	97.2	Very high	98.2	Very high	43 Å²	43	46 Å²	46	36%	0.355	22%	0.22	S	C	.	.			trans	-58.6	140.8	-177.1	0	0	0	0	0	112.3	E433 Q434 W435	A431-E433 PolarHBondContact O-N 3.39Å; A431-Q434 HydrophobicContact CB-CG 4.26Å; A431-Q434 WeakPolarHBondContact O-CB 3.47Å; A431-Q434 PolarHBondContact O-N 2.65Å; A431-W435 PolarHBondContact O-N 2.87Å
432	K	97.8	Very high	98.1	Very high	86 Å²	86	53.1 Å²	53.1	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-57.4	-38.1	-176.2	-56.6	-178.9	-171.5	-165.8	0	112.2	Q434 W435 R436 D468	K432-Q434 VanDerWaalsContact C-N 3.28Å; K432-Q434 PolarHBondContact O-N 2.93Å; K432-W435 PolarHBondContact O-N 2.96Å; K432-R436 WeakPolarHBondContact O-CG 3.4Å; K432-R436 PolarHBondContact O-N 2.85Å; K432-D468 WeakPolarHBondContact CD-OD1 3.31Å; K432-D468 VanDerWaalsContact CE-OD1 3.25Å; K432-D468 WeakPolarHBondContact CE-OD1 3.37Å; K432-D468 WeakPolarHBondContact CE-OD2 3.12Å; K432-D468 IonicContact NZ-OD1 3.43Å; K432-D468 PolarHBondContact NZ-OD1 3.42Å; K432-D468 IonicContact NZ-OD2 3.91Å; K432-D468 PolarHBondContact NZ-OD2 2.67Å
433	E	98.1	Very high	98	Very high	114 Å²	114	53.9 Å²	53.9	53%	0.533	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-37	178.5	-65.9	61.7	-129.2	0	0	111.3	A431 R436 S437	A431-E433 PolarHBondContact O-N 3.39Å; E433-R436 PolarHBondContact O-N 2.9Å; E433-R436 IonicContact OE1-CZ 3.67Å; E433-R436 IonicContact OE1-NH1 2.82Å; E433-R436 PolarHBondContact OE1-NH1 3.28Å; E433-S437 PolarHBondContact O-N 2.82Å; E433-S437 PolarHBondContact O-OG 3.2Å
434	Q	98.6	Very high	98	Very high	64 Å²	64	58.6 Å²	58.6	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-70.7	-39	177.2	-62.8	-173.2	53	0	0	111.3	S392 V430 A431 K432 S437 L438	S392-Q434 VanDerWaalsContact CB-OE1 3.31Å; V430-Q434 HydrophobicContact CG1-CB 4.02Å; A431-Q434 HydrophobicContact CB-CG 4.26Å; A431-Q434 WeakPolarHBondContact O-CB 3.47Å; A431-Q434 PolarHBondContact O-N 2.65Å; K432-Q434 VanDerWaalsContact C-N 3.28Å; K432-Q434 PolarHBondContact O-N 2.93Å; Q434-S437 PolarHBondContact O-N 2.88Å; Q434-L438 WeakPolarHBondContact O-CB 3.41Å; Q434-L438 PolarHBondContact O-N 3.46Å
435	W	98.7	Very high	97.9	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.015	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-43.8	172.1	-75.8	122.6	0	0	0	112.3	L396 V424 S427 V430 A431 K432 S437 L438 L439 V456 C472 F474	L396-W435 HydrophobicContact CD1-CH2 3.44Å; L396-W435 VanDerWaalsContact CD1-CH2 3.44Å; L396-W435 HydrophobicContact CD1-CZ2 3.74Å; L396-W435 HydrophobicContact CD1-CZ3 4.07Å; V424-W435 HydrophobicContact CB-CH2 4.26Å; V424-W435 HydrophobicContact CG1-CH2 3.86Å; V424-W435 HydrophobicContact CG1-CZ2 3.93Å; V424-W435 HydrophobicContact CG2-CH2 4.01Å; S427-W435 PolarHBondContact O-NE1 3.45Å; V430-W435 HydrophobicContact CB-CZ2 4.15Å; V430-W435 HydrophobicContact CG1-CD2 4.42Å; V430-W435 HydrophobicContact CG1-CG 4.47Å; V430-W435 HydrophobicContact CG1-CZ2 4.43Å; V430-W435 HydrophobicContact CG2-CZ2 4.43Å; A431-W435 PolarHBondContact O-N 2.87Å; K432-W435 PolarHBondContact O-N 2.96Å; W435-S437 VanDerWaalsContact C-N 3.33Å; W435-S437 PolarHBondContact O-N 2.84Å; W435-L438 HydrophobicContact CE3-CD2 4Å; W435-L438 HydrophobicContact CZ3-CD2 3.8Å; W435-L438 CarbonylContact O-C 3.3Å; W435-L438 PolarHBondContact O-N 3.45Å; W435-L439 HydrophobicContact CD2-CD1 4.45Å; W435-L439 HydrophobicContact CE3-CD1 3.52Å; W435-L439 HydrophobicContact CE3-CG 3.96Å; W435-L439 HydrophobicContact CZ3-CD1 3.94Å; W435-L439 HydrophobicContact CZ3-CG 4.41Å; W435-L439 WeakPolarHBondContact O-CB 3.46Å; W435-L439 PolarHBondContact O-N 2.66Å; W435-V456 HydrophobicContact CZ3-CG1 4.35Å; W435-C472 CarbonylContact C-O 3.33Å; W435-C472 HydrophobicContact CB-CB 3.63Å; W435-C472 HydrophobicContact CG-CB 4.35Å; W435-F474 HydrophobicContact CB-CE2 4.48Å; W435-F474 HydrophobicContact CD2-CE1 4.1Å; W435-F474 HydrophobicContact CD2-CE2 4.05Å; W435-F474 AromaticContact CD2-CZ 3.41Å; W435-F474 HydrophobicContact CD2-CZ 3.41Å; W435-F474 VanDerWaalsContact CD2-CZ 3.41Å; W435-F474 AromaticContact CE2-CZ 3.41Å; W435-F474 VanDerWaalsContact CE2-CZ 3.41Å; W435-F474 AromaticContact CE3-CE1 3.97Å; W435-F474 HydrophobicContact CE3-CE1 3.97Å; W435-F474 AromaticContact CE3-CZ 3.76Å; W435-F474 HydrophobicContact CE3-CZ 3.76Å; W435-F474 AromaticContact CG-CE2 4Å; W435-F474 HydrophobicContact CG-CE2 4Å; W435-F474 AromaticContact CG-CZ 3.86Å; W435-F474 HydrophobicContact CG-CZ 3.86Å; W435-F474 HydrophobicContact CH2-CE1 4.02Å; W435-F474 HydrophobicContact CH2-CZ 4.08Å; W435-F474 HydrophobicContact CZ2-CE1 4.16Å; W435-F474 AromaticContact CZ2-CZ 3.77Å; W435-F474 HydrophobicContact CZ2-CZ 3.77Å; W435-F474 AromaticContact CZ3-CE1 3.92Å; W435-F474 HydrophobicContact CZ3-CE1 3.92Å; W435-F474 HydrophobicContact CZ3-CZ 4.07Å; W435-F474 AromaticContact NE1-CZ 3.74Å
436	R	98.6	Very high	97.9	Very high	81 Å²	81	59.5 Å²	59.5	31%	0.306	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-46	174.6	-71	-177.6	-158.2	116.5	4.1	111.7	K432 E433 L438 K440 T471	K432-R436 WeakPolarHBondContact O-CG 3.4Å; K432-R436 PolarHBondContact O-N 2.85Å; E433-R436 PolarHBondContact O-N 2.9Å; E433-R436 IonicContact OE1-CZ 3.67Å; E433-R436 IonicContact OE1-NH1 2.82Å; E433-R436 PolarHBondContact OE1-NH1 3.28Å; R436-L438 PolarHBondContact O-N 2.82Å; R436-K440 HydrophobicContact CB-CG 4.4Å; R436-K440 VanDerWaalsContact O-CB 3.3Å; R436-K440 WeakPolarHBondContact O-CB 3.44Å; R436-K440 PolarHBondContact O-N 3.08Å; R436-T471 WeakPolarHBondContact CG-O 3.4Å; R436-T471 PolarHBondContact NE-O 3.25Å
437	S	98.7	Very high	98	Very high	32 Å²	32	58.3 Å²	58.3	22%	0.224	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-23.1	177.3	-69.1	0	0	0	0	113.9	E433 Q434 W435 G443 S444 F445 S446	E433-S437 PolarHBondContact O-N 2.82Å; E433-S437 PolarHBondContact O-OG 3.2Å; Q434-S437 PolarHBondContact O-N 2.88Å; W435-S437 VanDerWaalsContact C-N 3.33Å; W435-S437 PolarHBondContact O-N 2.84Å; S437-G443 CarbonylContact O-C 3.37Å; S437-G443 VanDerWaalsContact O-C 3.3Å; S437-G443 VanDerWaalsContact O-CA 3.31Å; S437-G443 WeakPolarHBondContact O-CA 3.43Å; S437-S444 PolarHBondContact O-N 2.95Å; S437-S444 PolarHBondContact OG-OG 2.93Å; S437-F445 CarbonylContact O-C 3.47Å; S437-F445 PolarHBondContact O-N 3.02Å; S437-S446 WeakPolarHBondContact O-CA 3.12Å; S437-S446 PolarHBondContact O-N 3.43Å; S437-S446 VanDerWaalsContact O-N 3.07Å
438	L	98.8	Very high	98	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-92	-39.2	179.5	-174.4	53.9	0	0	0	114	L396 R397 F400 Q434 W435 R436 F445 S446 I447	L396-L438 HydrophobicContact CB-CD2 3.97Å; R397-L438 HydrophobicContact CB-CD1 3.65Å; R397-L438 HydrophobicContact CG-CD1 4.01Å; F400-L438 HydrophobicContact CE2-CD2 3.94Å; Q434-L438 WeakPolarHBondContact O-CB 3.41Å; Q434-L438 PolarHBondContact O-N 3.46Å; W435-L438 HydrophobicContact CE3-CD2 4Å; W435-L438 HydrophobicContact CZ3-CD2 3.8Å; W435-L438 CarbonylContact O-C 3.3Å; W435-L438 PolarHBondContact O-N 3.45Å; R436-L438 PolarHBondContact O-N 2.82Å; L438-F445 HydrophobicContact CB-CD2 4.23Å; L438-F445 HydrophobicContact CB-CE2 3.7Å; L438-F445 HydrophobicContact CD1-CD2 3.92Å; L438-F445 HydrophobicContact CD1-CE2 4.01Å; L438-F445 HydrophobicContact CG-CE2 4.36Å; L438-S446 CarbonylContact O-C 3.26Å; L438-S446 VanDerWaalsContact O-CA 3.27Å; L438-S446 WeakPolarHBondContact O-CA 3.45Å; L438-S446 PolarHBondContact O-OG 3.24Å; L438-I447 HydrophobicContact CD1-CG2 3.83Å; L438-I447 PolarHBondContact O-N 3.33Å
439	L	98.9	Very high	98	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-116.9	-7.2	-164.9	-57.3	-178.8	0	0	0	114.5	W435 I447 R448 V456 G473 F474	W435-L439 HydrophobicContact CD2-CD1 4.45Å; W435-L439 HydrophobicContact CE3-CD1 3.52Å; W435-L439 HydrophobicContact CE3-CG 3.96Å; W435-L439 HydrophobicContact CZ3-CD1 3.94Å; W435-L439 HydrophobicContact CZ3-CG 4.41Å; W435-L439 WeakPolarHBondContact O-CB 3.46Å; W435-L439 PolarHBondContact O-N 2.66Å; L439-I447 HydrophobicContact CD2-CD1 3.94Å; L439-I447 HydrophobicContact CD2-CG1 4.18Å; L439-R448 WeakPolarHBondContact O-CG 3.1Å; L439-R448 PolarHBondContact O-NE 3.21Å; L439-V456 HydrophobicContact CD1-CB 4.27Å; L439-V456 HydrophobicContact CD1-CG1 4.26Å; L439-V456 HydrophobicContact CD2-CB 4.21Å; L439-V456 HydrophobicContact CD2-CG2 3.78Å; L439-G473 WeakPolarHBondContact CB-O 3.43Å; L439-F474 HydrophobicContact CD1-CD1 3.68Å; L439-F474 HydrophobicContact CD1-CD2 4.49Å; L439-F474 HydrophobicContact CD1-CE1 3.84Å; L439-F474 HydrophobicContact CD1-CG 4.05Å; L439-F474 HydrophobicContact CD1-CZ 4.34Å
440	K	98.5	Very high	98.1	Very high	72 Å²	72	55.5 Å²	55.5	31%	0.313	31%	0.309	S	S	.	.	S	Bend	trans	-94.3	145.8	168.9	-63.1	-67.9	-173.1	-177.8	0	110.4	R436 N442 G443 S446 L470 T471 G473	R436-K440 HydrophobicContact CB-CG 4.4Å; R436-K440 VanDerWaalsContact O-CB 3.3Å; R436-K440 WeakPolarHBondContact O-CB 3.44Å; R436-K440 PolarHBondContact O-N 3.08Å; K440-N442 WeakPolarHBondContact CB-OD1 3.35Å; K440-N442 PolarHBondContact O-N 3.44Å; K440-G443 PolarHBondContact O-N 2.88Å; K440-S446 WeakPolarHBondContact O-CB 3.35Å; K440-S446 PolarHBondContact O-OG 3.06Å; K440-L470 WeakPolarHBondContact CE-O 3.42Å; K440-L470 PolarHBondContact NZ-O 2.97Å; K440-T471 WeakPolarHBondContact CE-O 3.23Å; K440-G473 VanDerWaalsContact CE-CA 3.49Å
441	E	97.4	Very high	98.1	Very high	178 Å²	178	62.5 Å²	62.5	83%	0.832	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.5	-178.5	-65.8	179	174.9	0	0	113.3	G443 R448	E441-G443 VanDerWaalsContact C-N 3.28Å; E441-G443 PolarHBondContact O-N 3.16Å; E441-R448 HydrophobicContact CG-CB 4.04Å; E441-R448 HydrophobicContact CG-CG 4.5Å
442	N	96.7	Very high	98.2	Very high	151 Å²	151	62.2 Å²	62.2	81%	0.807	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	9.5	177	68.4	-21.2	0	0	0	113.8	K440	K440-N442 WeakPolarHBondContact CB-OD1 3.35Å; K440-N442 PolarHBondContact O-N 3.44Å
443	G	98.3	Very high	98.2	Very high	16 Å²	16	59.4 Å²	59.4	17%	0.165	32%	0.321	C	S	.	.			trans	-70.3	142.3	179.6	0	0	0	0	0	112.5	S437 K440 E441 F445 S446	S437-G443 CarbonylContact O-C 3.37Å; S437-G443 VanDerWaalsContact O-C 3.3Å; S437-G443 VanDerWaalsContact O-CA 3.31Å; S437-G443 WeakPolarHBondContact O-CA 3.43Å; K440-G443 PolarHBondContact O-N 2.88Å; E441-G443 VanDerWaalsContact C-N 3.28Å; E441-G443 PolarHBondContact O-N 3.16Å; G443-F445 PolarHBondContact O-N 2.84Å; G443-F445 VanDerWaalsContact O-N 3.11Å; G443-S446 PolarHBondContact O-N 2.94Å
444	S	97.6	Very high	98.3	Very high	99 Å²	99	54 Å²	54	69%	0.692	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20	-172.7	56.8	0	0	0	0	115	S437	S437-S444 PolarHBondContact O-N 2.95Å; S437-S444 PolarHBondContact OG-OG 2.93Å
445	F	98.1	Very high	98.3	Very high	35 Å²	35	51.6 Å²	51.6	15%	0.154	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	33.1	176.8	54.9	-97.8	0	0	0	111	G393 N394 R397 S437 L438 G443	G393-F445 VanDerWaalsContact C-CE2 3.47Å; G393-F445 WeakPolarHBondContact O-CE2 3.5Å; N394-F445 WeakPolarHBondContact OD1-CD1 3.26Å; R397-F445 HydrophobicContact CB-CD2 4.48Å; R397-F445 WeakPolarHBondContact CD-O 3.04Å; R397-F445 PolarHBondContact NE-O 3.4Å; S437-F445 CarbonylContact O-C 3.47Å; S437-F445 PolarHBondContact O-N 3.02Å; L438-F445 HydrophobicContact CB-CD2 4.23Å; L438-F445 HydrophobicContact CB-CE2 3.7Å; L438-F445 HydrophobicContact CD1-CD2 3.92Å; L438-F445 HydrophobicContact CD1-CE2 4.01Å; L438-F445 HydrophobicContact CG-CE2 4.36Å; G443-F445 PolarHBondContact O-N 2.84Å; G443-F445 VanDerWaalsContact O-N 3.11Å
446	S	98.7	Very high	98.3	Very high	14 Å²	14	51.4 Å²	51.4	10%	0.098	28%	0.284	C	S	.	.			trans	-57.5	145.5	-172.2	-166.5	0	0	0	0	113.2	S437 L438 K440 G443 R448	S437-S446 WeakPolarHBondContact O-CA 3.12Å; S437-S446 PolarHBondContact O-N 3.43Å; S437-S446 VanDerWaalsContact O-N 3.07Å; L438-S446 CarbonylContact O-C 3.26Å; L438-S446 VanDerWaalsContact O-CA 3.27Å; L438-S446 WeakPolarHBondContact O-CA 3.45Å; L438-S446 PolarHBondContact O-OG 3.24Å; K440-S446 WeakPolarHBondContact O-CB 3.35Å; K440-S446 PolarHBondContact O-OG 3.06Å; G443-S446 PolarHBondContact O-N 2.94Å; S446-R448 WeakPolarHBondContact OG-CB 3.38Å; S446-R448 WeakPolarHBondContact OG-CG 3.31Å; S446-R448 PolarHBondContact OG-N 3.25Å; S446-R448 VanDerWaalsContact OG-N 3.14Å
447	I	98.7	Very high	98.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.269	C	S	.	.			trans	-86.4	-14.2	166.6	60.8	169.3	0	0	0	112.3	R397 F400 L438 L439 G449 T450 D453 V456	R397-I447 HydrophobicContact CG-CG2 4.05Å; F400-I447 HydrophobicContact CD2-CD1 3.96Å; F400-I447 HydrophobicContact CD2-CG2 4.49Å; F400-I447 HydrophobicContact CE2-CD1 4.27Å; L438-I447 HydrophobicContact CD1-CG2 3.83Å; L438-I447 PolarHBondContact O-N 3.33Å; L439-I447 HydrophobicContact CD2-CD1 3.94Å; L439-I447 HydrophobicContact CD2-CG1 4.18Å; I447-G449 PolarHBondContact O-N 3Å; I447-T450 WeakPolarHBondContact O-CB 3.44Å; I447-T450 PolarHBondContact O-N 3.32Å; I447-T450 VanDerWaalsContact O-N 3.14Å; I447-T450 PolarHBondContact O-OG1 3.38Å; I447-D453 WeakPolarHBondContact O-CA 3.41Å; I447-D453 WeakPolarHBondContact O-CB 3.31Å; I447-D453 PolarHBondContact O-N 3.08Å; I447-V456 HydrophobicContact CD1-CG2 4.26Å
448	R	98.6	Very high	98.3	Very high	33 Å²	33	46.1 Å²	46.1	13%	0.125	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	134	-176.6	-58.2	-54	-178.6	-159.1	3	111	L439 E441 S446 T450 D453 S454 G473 D475	L439-R448 WeakPolarHBondContact O-CG 3.1Å; L439-R448 PolarHBondContact O-NE 3.21Å; E441-R448 HydrophobicContact CG-CB 4.04Å; E441-R448 HydrophobicContact CG-CG 4.5Å; S446-R448 WeakPolarHBondContact OG-CB 3.38Å; S446-R448 WeakPolarHBondContact OG-CG 3.31Å; S446-R448 PolarHBondContact OG-N 3.25Å; S446-R448 VanDerWaalsContact OG-N 3.14Å; R448-T450 PolarHBondContact O-N 2.66Å; R448-D453 VanDerWaalsContact CD-OD1 3.3Å; R448-D453 WeakPolarHBondContact CD-OD1 3.44Å; R448-D453 IonicContact CZ-OD1 3.99Å; R448-D453 IonicContact NH1-OD1 2.77Å; R448-D453 PolarHBondContact NH1-OD1 2.85Å; R448-S454 PolarHBondContact NH1-O 3.18Å; R448-G473 PolarHBondContact NH2-O 3.07Å; R448-G473 VanDerWaalsContact NH2-O 3.08Å; R448-D475 IonicContact CZ-OD1 2.73Å; R448-D475 IonicContact CZ-OD2 3.83Å; R448-D475 IonicContact NH1-OD1 2.71Å; R448-D475 IonicContact NH1-OD2 3.07Å; R448-D475 PolarHBondContact NH1-OD2 3.3Å; R448-D475 VanDerWaalsContact NH2-CG 3.34Å; R448-D475 IonicContact NH2-OD1 2.67Å; R448-D475 PolarHBondContact NH2-OD1 2.62Å; R448-D475 IonicContact NH2-OD2 3.81Å; R448-D475 PolarHBondContact NH2-OD2 3.23Å
449	G	97	Very high	98.3	Very high	80 Å²	80	46.2 Å²	46.2	83%	0.825	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	9.2	-177.2	0	0	0	0	0	114.7	I447	I447-G449 PolarHBondContact O-N 3Å
450	T	98.3	Very high	98.3	Very high	52 Å²	52	46.1 Å²	46.1	32%	0.319	26%	0.259	S	S	.	.	S	Bend	trans	-102	169.9	172.9	78.6	0	0	0	0	110.6	I447 R448 Y452 D453	I447-T450 WeakPolarHBondContact O-CB 3.44Å; I447-T450 PolarHBondContact O-N 3.32Å; I447-T450 VanDerWaalsContact O-N 3.14Å; I447-T450 PolarHBondContact O-OG1 3.38Å; R448-T450 PolarHBondContact O-N 2.66Å; T450-Y452 PolarHBondContact O-N 2.91Å; T450-Y452 PolarHBondContact OG1-N 3.35Å; T450-Y452 VanDerWaalsContact OG1-N 3.09Å; T450-D453 WeakPolarHBondContact O-CB 3.46Å; T450-D453 PolarHBondContact O-N 3.17Å; T450-D453 VanDerWaalsContact O-N 3.07Å
451	Q	97.4	Very high	98.3	Very high	155 Å²	155	44 Å²	44	72%	0.724	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-9.2	171.3	68.7	-177.9	-6.4	0	0	114.2
452	Y	98.5	Very high	98.3	Very high	37 Å²	37	40.8 Å²	40.8	15%	0.145	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	5.6	178.1	-47.4	-65	0	0	0	112.7	E401 I404 I405 T450 S454	E401-Y452 HydrophobicContact CB-CD1 4.13Å; E401-Y452 HydrophobicContact CB-CE1 4.02Å; E401-Y452 HydrophobicContact CB-CG 4.45Å; E401-Y452 HydrophobicContact CG-CD1 3.8Å; E401-Y452 HydrophobicContact CG-CD2 3.6Å; E401-Y452 HydrophobicContact CG-CE1 3.89Å; E401-Y452 HydrophobicContact CG-CE2 3.69Å; E401-Y452 HydrophobicContact CG-CG 3.63Å; I404-Y452 HydrophobicContact CB-CD1 4.42Å; I404-Y452 HydrophobicContact CD1-CD1 4.29Å; I404-Y452 HydrophobicContact CG2-CD1 4.32Å; I405-Y452 HydrophobicContact CD1-CE1 3.97Å; I405-Y452 HydrophobicContact CG1-CE1 3.99Å; T450-Y452 PolarHBondContact O-N 2.91Å; T450-Y452 PolarHBondContact OG1-N 3.35Å; T450-Y452 VanDerWaalsContact OG1-N 3.09Å; Y452-S454 PolarHBondContact O-N 3.27Å; Y452-S454 PolarHBondContact O-OG 3.3Å
453	D	98.8	Very high	98.2	Very high	27 Å²	27	38.5 Å²	38.5	14%	0.144	22%	0.22	C	C	.	.			trans	-60.4	127.8	178.5	-167.5	8.6	0	0	0	110.9	K419 I447 R448 T450	K419-D453 WeakPolarHBondContact CE-OD2 3.4Å; K419-D453 IonicContact NZ-OD1 3.03Å; K419-D453 IonicContact NZ-OD2 3.44Å; K419-D453 PolarHBondContact NZ-OD2 2.76Å; I447-D453 WeakPolarHBondContact O-CA 3.41Å; I447-D453 WeakPolarHBondContact O-CB 3.31Å; I447-D453 PolarHBondContact O-N 3.08Å; R448-D453 VanDerWaalsContact CD-OD1 3.3Å; R448-D453 WeakPolarHBondContact CD-OD1 3.44Å; R448-D453 IonicContact CZ-OD1 3.99Å; R448-D453 IonicContact NH1-OD1 2.77Å; R448-D453 PolarHBondContact NH1-OD1 2.85Å; T450-D453 WeakPolarHBondContact O-CB 3.46Å; T450-D453 PolarHBondContact O-N 3.17Å; T450-D453 VanDerWaalsContact O-N 3.07Å
454	S	98.9	Very high	98	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.			trans	-143.8	152.8	-165.1	-59.8	0	0	0	0	110.9	I404 P420 F422 R448 Y452 V456	I404-S454 WeakPolarHBondContact CD1-OG 3.36Å; P420-S454 CarbonylContact O-C 3.46Å; P420-S454 WeakPolarHBondContact O-CA 3.41Å; F422-S454 WeakPolarHBondContact CE2-OG 3.49Å; R448-S454 PolarHBondContact NH1-O 3.18Å; Y452-S454 PolarHBondContact O-N 3.27Å; Y452-S454 PolarHBondContact O-OG 3.3Å; S454-V456 PolarHBondContact O-N 3.29Å
455	I	98.9	Very high	97.9	Very high	13 Å²	13	40 Å²	40	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.2	166.2	-60.4	-57.9	0	0	0	108.4	K419 P420 V421 F422 L457 D475 I508	K419-I455 HydrophobicContact CB-CG1 4.05Å; K419-I455 HydrophobicContact CD-CD1 4.3Å; P420-I455 PolarHBondContact O-N 3.27Å; V421-I455 WeakPolarHBondContact CA-O 3.24Å; V421-I455 HydrophobicContact CG1-CB 4.46Å; V421-I455 HydrophobicContact CG1-CG2 4.23Å; V421-I455 HydrophobicContact CG2-CB 4.11Å; V421-I455 HydrophobicContact CG2-CG1 4.5Å; V421-I455 HydrophobicContact CG2-CG2 4.5Å; F422-I455 PolarHBondContact N-O 2.92Å; I455-L457 HydrophobicContact CG2-CD2 3.85Å; I455-L457 HydrophobicContact CG2-CG 4.24Å; I455-D475 WeakPolarHBondContact CA-OD2 3.28Å; I455-D475 HydrophobicContact CD1-CB 4.09Å; I455-D475 HydrophobicContact CG2-CB 3.94Å; I455-I508 HydrophobicContact CD1-CD1 4.11Å; I455-I508 HydrophobicContact CG1-CD1 4.33Å; I455-I508 HydrophobicContact CG2-CD1 3.6Å
456	V	98.9	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.1	178.8	-171.1	0	0	0	0	109.5	F400 V424 W435 L439 I447 S454 F474 D475	F400-V456 HydrophobicContact CE2-CG2 4.11Å; F400-V456 HydrophobicContact CZ-CG1 4.16Å; F400-V456 HydrophobicContact CZ-CG2 4.14Å; V424-V456 HydrophobicContact CG2-CG1 3.73Å; W435-V456 HydrophobicContact CZ3-CG1 4.35Å; L439-V456 HydrophobicContact CD1-CB 4.27Å; L439-V456 HydrophobicContact CD1-CG1 4.26Å; L439-V456 HydrophobicContact CD2-CB 4.21Å; L439-V456 HydrophobicContact CD2-CG2 3.78Å; I447-V456 HydrophobicContact CD1-CG2 4.26Å; S454-V456 PolarHBondContact O-N 3.29Å; V456-F474 HydrophobicContact CB-CD1 4.3Å; V456-F474 HydrophobicContact CG1-CD1 3.85Å; V456-F474 HydrophobicContact CG1-CE1 3.82Å; V456-D475 PolarHBondContact N-OD2 3.04Å; V456-D475 PolarHBondContact O-N 2.96Å; V456-D475 VanDerWaalsContact O-N 3.1Å
457	L	98.9	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.8	-179.8	-53.2	-179.4	0	0	0	110.1	V421 F422 Y423 V424 I455 G476 F478 I508 F553	V421-L457 HydrophobicContact CG1-CD1 4.2Å; F422-L457 PolarHBondContact O-N 3.43Å; Y423-L457 HydrophobicContact CD1-CB 4.49Å; Y423-L457 HydrophobicContact CD1-CD1 4.21Å; Y423-L457 HydrophobicContact CD2-CD1 4.44Å; Y423-L457 HydrophobicContact CE1-CD1 3.72Å; Y423-L457 HydrophobicContact CE2-CD1 3.96Å; V424-L457 PolarHBondContact N-O 2.95Å; I455-L457 HydrophobicContact CG2-CD2 3.85Å; I455-L457 HydrophobicContact CG2-CG 4.24Å; L457-G476 WeakPolarHBondContact CA-O 3.35Å; L457-F478 HydrophobicContact CB-CD1 4.01Å; L457-F478 WeakPolarHBondContact O-CE1 3.28Å; L457-I508 HydrophobicContact CD1-CG2 4.36Å; L457-I508 HydrophobicContact CD2-CB 3.91Å; L457-I508 HydrophobicContact CD2-CG2 3.73Å; L457-F553 HydrophobicContact CD1-CD2 4.18Å; L457-F553 HydrophobicContact CD1-CE2 4.21Å
458	A	98.9	Very high	97.5	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.017	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	144.1	176.3	0	0	0	0	0	111.8	S427 I460 L469 F474 G476 F477 F478	S427-A458 VanDerWaalsContact OG-CB 3.29Å; S427-A458 WeakPolarHBondContact OG-CB 3.4Å; A458-I460 PolarHBondContact O-N 3.02Å; A458-L469 HydrophobicContact CB-CD2 3.4Å; A458-L469 VanDerWaalsContact CB-CD2 3.4Å; A458-F474 HydrophobicContact CB-CD1 3.61Å; A458-F474 HydrophobicContact CB-CD2 3.85Å; A458-F474 HydrophobicContact CB-CE1 3.58Å; A458-F474 HydrophobicContact CB-CE2 3.82Å; A458-F474 HydrophobicContact CB-CG 3.73Å; A458-F474 HydrophobicContact CB-CZ 3.67Å; A458-G476 PolarHBondContact N-O 3.37Å; A458-G476 VanDerWaalsContact N-O 3.08Å; A458-F477 CarbonylContact O-C 3.46Å; A458-F477 WeakPolarHBondContact O-CA 3.34Å; A458-F477 WeakPolarHBondContact O-CB 3.45Å; A458-F478 VanDerWaalsContact C-CD1 3.5Å; A458-F478 VanDerWaalsContact C-CE1 3.49Å; A458-F478 VanDerWaalsContact O-CD1 3.32Å; A458-F478 WeakPolarHBondContact O-CD1 3Å; A458-F478 PolarHBondContact O-N 3.15Å
459	L	98.8	Very high	97.5	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	120.5	166.3	176.2	59.5	0	0	0	109.5	V424 Y425 S427 Y428 V461 F478	V424-L459 PolarHBondContact O-N 2.81Å; Y425-L459 HydrophobicContact CD2-CD2 3.86Å; Y425-L459 HydrophobicContact CE2-CD2 3.66Å; S427-L459 PolarHBondContact OG-N 3.4Å; Y428-L459 HydrophobicContact CE1-CD2 3.94Å; Y428-L459 HydrophobicContact CE1-CG 4.37Å; L459-V461 HydrophobicContact CD2-CG2 4.3Å; L459-V461 HydrophobicContact CG-CG2 4.08Å; L459-F478 HydrophobicContact CB-CE1 3.94Å; L459-F478 HydrophobicContact CB-CE2 4.32Å; L459-F478 HydrophobicContact CB-CZ 3.76Å; L459-F478 HydrophobicContact CD1-CD2 4.32Å; L459-F478 HydrophobicContact CD1-CE2 4.01Å; L459-F478 HydrophobicContact CD1-CZ 4.32Å; L459-F478 VanDerWaalsContact N-CE1 3.25Å
460	I	98.6	Very high	97.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-97.3	135	170.8	-175.3	151.8	0	0	0	110.1	A458 D465 E466 L469 F477 F478 T479 A489 L498	A458-I460 PolarHBondContact O-N 3.02Å; I460-D465 HydrophobicContact CD1-CB 4.3Å; I460-D465 HydrophobicContact CG1-CB 4.03Å; I460-E466 HydrophobicContact CD1-CG 3.94Å; I460-L469 HydrophobicContact CD1-CD1 4.13Å; I460-F477 HydrophobicContact CB-CB 4.23Å; I460-F477 HydrophobicContact CB-CD2 4.4Å; I460-F477 HydrophobicContact CB-CG 4.45Å; I460-F477 HydrophobicContact CG2-CB 4.02Å; I460-F477 HydrophobicContact CG2-CD2 3.4Å; I460-F477 VanDerWaalsContact CG2-CD2 3.4Å; I460-F477 HydrophobicContact CG2-CE2 4.1Å; I460-F477 HydrophobicContact CG2-CG 3.9Å; I460-F478 WeakPolarHBondContact CG2-O 3.09Å; I460-F478 PolarHBondContact N-O 2.82Å; I460-F478 VanDerWaalsContact N-O 3.11Å; I460-T479 HydrophobicContact CG2-CG2 4.11Å; I460-A489 HydrophobicContact CB-CB 4.41Å; I460-A489 HydrophobicContact CG1-CB 4.21Å; I460-A489 HydrophobicContact CG2-CB 3.84Å; I460-A489 WeakPolarHBondContact O-CB 3.13Å; I460-L498 HydrophobicContact CD1-CD2 3.61Å; I460-L498 HydrophobicContact CG1-CD2 4.46Å
461	V	98.1	Very high	97.4	Very high	27 Å²	27	43.5 Å²	43.5	16%	0.164	21%	0.209	C	C	.	.			trans	-122.8	-48.4	-178.4	176.8	0	0	0	0	110	Y428 L459 D465 F481 T487 Y488 A489	Y428-V461 HydrophobicContact CD1-CG2 4.2Å; Y428-V461 HydrophobicContact CE1-CG2 3.62Å; L459-V461 HydrophobicContact CD2-CG2 4.3Å; L459-V461 HydrophobicContact CG-CG2 4.08Å; V461-D465 PolarHBondContact N-OD2 3.45Å; V461-F481 HydrophobicContact CG2-CE2 4.26Å; V461-T487 HydrophobicContact CG1-CG2 3.6Å; V461-T487 WeakPolarHBondContact O-CB 3.49Å; V461-Y488 WeakPolarHBondContact O-CB 3.31Å; V461-Y488 PolarHBondContact O-N 3.15Å; V461-Y488 VanDerWaalsContact O-N 3.12Å; V461-A489 PolarHBondContact O-N 3.3Å; V461-A489 VanDerWaalsContact O-N 3.08Å
462	K	97.4	Very high	97.4	Very high	112 Å²	112	36.2 Å²	36.2	49%	0.487	18%	0.175	S	C	.	.	S	Bend	trans	-118.3	160.3	-173.5	-4	174	-160.8	177.4	0	110.2	E464 D465	K462-E464 WeakPolarHBondContact CB-OE2 3.46Å; K462-E464 PolarHBondContact O-N 3.09Å; K462-D465 PolarHBondContact N-OD2 3.47Å; K462-D465 WeakPolarHBondContact O-CB 3.14Å; K462-D465 PolarHBondContact O-N 3.17Å
463	Q	95.4	Very high	97.4	Very high	102 Å²	102	35 Å²	35	48%	0.477	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-33.9	177.2	-170.8	174.9	10.9	0	0	111.7	D465 E466 Y488	Q463-D465 PolarHBondContact O-N 2.79Å; Q463-E466 WeakPolarHBondContact O-CB 3.44Å; Q463-E466 VanDerWaalsContact O-CG 3.32Å; Q463-E466 WeakPolarHBondContact O-CG 3.35Å; Q463-E466 PolarHBondContact O-N 3.07Å; Q463-E466 VanDerWaalsContact O-N 3.15Å; Q463-Y488 HydrophobicContact CB-CD1 3.86Å; Q463-Y488 HydrophobicContact CB-CD2 4.17Å; Q463-Y488 HydrophobicContact CB-CE1 3.68Å; Q463-Y488 HydrophobicContact CB-CE2 4.03Å; Q463-Y488 HydrophobicContact CB-CG 4.09Å; Q463-Y488 HydrophobicContact CG-CE1 3.96Å; Q463-Y488 HydrophobicContact CG-CE2 4.26Å
464	E	93.7	Very high	97.4	Very high	132 Å²	132	34.4 Å²	34.4	62%	0.617	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.2	-179.3	-57.9	78.2	-165.9	0	0	113.2	K462 E466 H467	K462-E464 WeakPolarHBondContact CB-OE2 3.46Å; K462-E464 PolarHBondContact O-N 3.09Å; E464-E466 PolarHBondContact O-N 3.35Å; E464-H467 PolarHBondContact O-N 3.29Å
465	D	96.2	Very high	97.4	Very high	15 Å²	15	36.2 Å²	36.2	8%	0.08	18%	0.179	C	C	.	.	H	α-helix	trans	-67.3	-21.4	177.7	-57.5	-25	0	0	0	111.5	I460 V461 K462 Q463 H467 D468 L469	I460-D465 HydrophobicContact CD1-CB 4.3Å; I460-D465 HydrophobicContact CG1-CB 4.03Å; V461-D465 PolarHBondContact N-OD2 3.45Å; K462-D465 PolarHBondContact N-OD2 3.47Å; K462-D465 WeakPolarHBondContact O-CB 3.14Å; K462-D465 PolarHBondContact O-N 3.17Å; Q463-D465 PolarHBondContact O-N 2.79Å; D465-H467 VanDerWaalsContact C-N 3.27Å; D465-H467 PolarHBondContact O-N 2.85Å; D465-D468 WeakPolarHBondContact O-CA 3.43Å; D465-D468 WeakPolarHBondContact O-CB 3.26Å; D465-D468 PolarHBondContact O-N 2.99Å; D465-L469 WeakPolarHBondContact O-CG 3.46Å; D465-L469 PolarHBondContact O-N 2.93Å
466	E	96.2	Very high	97.4	Very high	31 Å²	31	35.6 Å²	35.6	15%	0.145	18%	0.176	C	C	.	.	H	α-helix	trans	-54.7	-42.7	177.9	-72.1	176.8	-163.8	0	0	112	I460 Q463 E464 D468 L469 L498 F501	I460-E466 HydrophobicContact CD1-CG 3.94Å; Q463-E466 WeakPolarHBondContact O-CB 3.44Å; Q463-E466 VanDerWaalsContact O-CG 3.32Å; Q463-E466 WeakPolarHBondContact O-CG 3.35Å; Q463-E466 PolarHBondContact O-N 3.07Å; Q463-E466 VanDerWaalsContact O-N 3.15Å; E464-E466 PolarHBondContact O-N 3.35Å; E466-D468 VanDerWaalsContact C-N 3.31Å; E466-D468 PolarHBondContact O-N 3.41Å; E466-L469 PolarHBondContact O-N 3.03Å; E466-L498 HydrophobicContact CG-CD2 4.33Å; E466-F501 HydrophobicContact CB-CD1 4.34Å; E466-F501 HydrophobicContact CB-CD2 4.22Å; E466-F501 HydrophobicContact CB-CE1 3.93Å; E466-F501 HydrophobicContact CB-CE2 3.81Å; E466-F501 HydrophobicContact CB-CG 4.48Å; E466-F501 HydrophobicContact CB-CZ 3.67Å; E466-F501 HydrophobicContact CG-CD1 3.95Å; E466-F501 HydrophobicContact CG-CD2 4.33Å; E466-F501 HydrophobicContact CG-CE1 3.97Å; E466-F501 HydrophobicContact CG-CE2 4.36Å; E466-F501 HydrophobicContact CG-CG 4.14Å; E466-F501 HydrophobicContact CG-CZ 4.19Å; E466-F501 VanDerWaalsContact O-CZ 3.28Å; E466-F501 WeakPolarHBondContact O-CZ 3.47Å
467	H	94.6	Very high	97.4	Very high	124 Å²	124	35.6 Å²	35.6	57%	0.574	18%	0.176	S	C	*	.	H	α-helix	trans	-66.1	-36.6	177.3	-177.6	70.2	0	0	0	112	E464 D465 L470 T471	E464-H467 PolarHBondContact O-N 3.29Å; D465-H467 VanDerWaalsContact C-N 3.27Å; D465-H467 PolarHBondContact O-N 2.85Å; H467-L470 PolarHBondContact O-N 3.35Å; H467-T471 WeakPolarHBondContact NE2-CG2 3.49Å; H467-T471 WeakPolarHBondContact O-CG2 3.43Å; H467-T471 PolarHBondContact O-N 3.08Å; H467-T471 PolarHBondContact O-OG1 3.3Å
468	D	96.1	Very high	97.4	Very high	36 Å²	36	35.6 Å²	35.6	19%	0.193	18%	0.176	C	C	.	.	H	α-helix	trans	-69	-36.1	-179.4	-70.6	-18.7	0	0	0	111.4	K432 D465 E466 L470 T471 C472	K432-D468 WeakPolarHBondContact CD-OD1 3.31Å; K432-D468 VanDerWaalsContact CE-OD1 3.25Å; K432-D468 WeakPolarHBondContact CE-OD1 3.37Å; K432-D468 WeakPolarHBondContact CE-OD2 3.12Å; K432-D468 IonicContact NZ-OD1 3.43Å; K432-D468 PolarHBondContact NZ-OD1 3.42Å; K432-D468 IonicContact NZ-OD2 3.91Å; K432-D468 PolarHBondContact NZ-OD2 2.67Å; D465-D468 WeakPolarHBondContact O-CA 3.43Å; D465-D468 WeakPolarHBondContact O-CB 3.26Å; D465-D468 PolarHBondContact O-N 2.99Å; E466-D468 VanDerWaalsContact C-N 3.31Å; E466-D468 PolarHBondContact O-N 3.41Å; D468-L470 VanDerWaalsContact C-N 3.32Å; D468-L470 PolarHBondContact O-N 3.21Å; D468-T471 PolarHBondContact O-N 3.36Å; D468-T471 PolarHBondContact O-OG1 3Å; D468-C472 WeakPolarHBondContact O-CB 3.5Å; D468-C472 PolarHBondContact O-N 2.96Å; D468-C472 PolarHBondContact O-SG 3.43Å
469	L	97.7	Very high	97.4	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-52.4	-50.8	174.1	-64.7	173.8	0	0	0	111.7	A458 I460 D465 E466 G473 F474 F477 F501 L507	A458-L469 HydrophobicContact CB-CD2 3.4Å; A458-L469 VanDerWaalsContact CB-CD2 3.4Å; I460-L469 HydrophobicContact CD1-CD1 4.13Å; D465-L469 WeakPolarHBondContact O-CG 3.46Å; D465-L469 PolarHBondContact O-N 2.93Å; E466-L469 PolarHBondContact O-N 3.03Å; L469-G473 PolarHBondContact O-N 3.31Å; L469-G473 VanDerWaalsContact O-N 3.12Å; L469-F474 HydrophobicContact CD2-CB 4.16Å; L469-F474 HydrophobicContact CD2-CD2 4.14Å; L469-F474 HydrophobicContact CD2-CG 4.28Å; L469-F474 PolarHBondContact O-N 2.89Å; L469-F477 HydrophobicContact CD1-CB 3.8Å; L469-F477 HydrophobicContact CD1-CD1 3.74Å; L469-F477 HydrophobicContact CD1-CG 4.13Å; L469-F477 HydrophobicContact CD2-CB 4.13Å; L469-F501 HydrophobicContact CD1-CE1 3.98Å; L469-L507 HydrophobicContact CD1-CD1 4.45Å
470	L	96.5	Very high	97.4	Very high	57 Å²	57	35.8 Å²	35.8	30%	0.298	18%	0.177	S	C	.	.	H	α-helix	trans	-68.7	-45.9	-178.5	-56.1	-179.5	0	0	0	111.9	K440 H467 D468 F501 N505 L507	K440-L470 WeakPolarHBondContact CE-O 3.42Å; K440-L470 PolarHBondContact NZ-O 2.97Å; H467-L470 PolarHBondContact O-N 3.35Å; D468-L470 VanDerWaalsContact C-N 3.32Å; D468-L470 PolarHBondContact O-N 3.21Å; L470-F501 HydrophobicContact CD1-CE2 4.08Å; L470-F501 HydrophobicContact CD1-CZ 4.17Å; L470-F501 HydrophobicContact CD2-CZ 4.17Å; L470-F501 HydrophobicContact CG-CE2 4.45Å; L470-F501 HydrophobicContact CG-CZ 4.03Å; L470-N505 WeakPolarHBondContact CD1-OD1 3.3Å; L470-N505 HydrophobicContact CD2-CB 3.67Å; L470-L507 HydrophobicContact CD2-CD1 3.98Å; L470-L507 HydrophobicContact CD2-CD2 4.38Å; L470-L507 HydrophobicContact CD2-CG 4.4Å
471	T	96.9	Very high	97.4	Very high	35 Å²	35	37 Å²	37	22%	0.215	18%	0.181	C	C	.	.	H	α-helix	trans	-71.6	-35	-176	63.3	0	0	0	0	112.1	R436 K440 H467 D468	R436-T471 WeakPolarHBondContact CG-O 3.4Å; R436-T471 PolarHBondContact NE-O 3.25Å; K440-T471 WeakPolarHBondContact CE-O 3.23Å; H467-T471 WeakPolarHBondContact NE2-CG2 3.49Å; H467-T471 WeakPolarHBondContact O-CG2 3.43Å; H467-T471 PolarHBondContact O-N 3.08Å; H467-T471 PolarHBondContact O-OG1 3.3Å; D468-T471 PolarHBondContact O-N 3.36Å; D468-T471 PolarHBondContact O-OG1 3Å
472	C	98.4	Very high	97.4	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-75.4	-27.1	178.1	-70.5	0	0	0	0	113.1	W435 D468 F474	W435-C472 CarbonylContact C-O 3.33Å; W435-C472 HydrophobicContact CB-CB 3.63Å; W435-C472 HydrophobicContact CG-CB 4.35Å; D468-C472 WeakPolarHBondContact O-CB 3.5Å; D468-C472 PolarHBondContact O-N 2.96Å; D468-C472 PolarHBondContact O-SG 3.43Å; C472-F474 HydrophobicContact CB-CD2 3.66Å; C472-F474 HydrophobicContact CB-CE2 3.66Å
473	G	98.2	Very high	97.4	Very high	10 Å²	10	30.5 Å²	30.5	10%	0.103	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	23.8	178.5	0	0	0	0	0	114.6	L439 K440 R448 L469	L439-G473 WeakPolarHBondContact CB-O 3.43Å; K440-G473 VanDerWaalsContact CE-CA 3.49Å; R448-G473 PolarHBondContact NH2-O 3.07Å; R448-G473 VanDerWaalsContact NH2-O 3.08Å; L469-G473 PolarHBondContact O-N 3.31Å; L469-G473 VanDerWaalsContact O-N 3.12Å
474	F	98.8	Very high	97.5	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.066	14%	0.139	C	C	.	.			trans	-63.2	147.4	170.1	-72.3	-78.8	0	0	0	110.9	W435 L439 V456 A458 L469 C472 G476	W435-F474 HydrophobicContact CB-CE2 4.48Å; W435-F474 HydrophobicContact CD2-CE1 4.1Å; W435-F474 HydrophobicContact CD2-CE2 4.05Å; W435-F474 AromaticContact CD2-CZ 3.41Å; W435-F474 HydrophobicContact CD2-CZ 3.41Å; W435-F474 VanDerWaalsContact CD2-CZ 3.41Å; W435-F474 AromaticContact CE2-CZ 3.41Å; W435-F474 VanDerWaalsContact CE2-CZ 3.41Å; W435-F474 AromaticContact CE3-CE1 3.97Å; W435-F474 HydrophobicContact CE3-CE1 3.97Å; W435-F474 AromaticContact CE3-CZ 3.76Å; W435-F474 HydrophobicContact CE3-CZ 3.76Å; W435-F474 AromaticContact CG-CE2 4Å; W435-F474 HydrophobicContact CG-CE2 4Å; W435-F474 AromaticContact CG-CZ 3.86Å; W435-F474 HydrophobicContact CG-CZ 3.86Å; W435-F474 HydrophobicContact CH2-CE1 4.02Å; W435-F474 HydrophobicContact CH2-CZ 4.08Å; W435-F474 HydrophobicContact CZ2-CE1 4.16Å; W435-F474 AromaticContact CZ2-CZ 3.77Å; W435-F474 HydrophobicContact CZ2-CZ 3.77Å; W435-F474 AromaticContact CZ3-CE1 3.92Å; W435-F474 HydrophobicContact CZ3-CE1 3.92Å; W435-F474 HydrophobicContact CZ3-CZ 4.07Å; W435-F474 AromaticContact NE1-CZ 3.74Å; L439-F474 HydrophobicContact CD1-CD1 3.68Å; L439-F474 HydrophobicContact CD1-CD2 4.49Å; L439-F474 HydrophobicContact CD1-CE1 3.84Å; L439-F474 HydrophobicContact CD1-CG 4.05Å; L439-F474 HydrophobicContact CD1-CZ 4.34Å; V456-F474 HydrophobicContact CB-CD1 4.3Å; V456-F474 HydrophobicContact CG1-CD1 3.85Å; V456-F474 HydrophobicContact CG1-CE1 3.82Å; A458-F474 HydrophobicContact CB-CD1 3.61Å; A458-F474 HydrophobicContact CB-CD2 3.85Å; A458-F474 HydrophobicContact CB-CE1 3.58Å; A458-F474 HydrophobicContact CB-CE2 3.82Å; A458-F474 HydrophobicContact CB-CG 3.73Å; A458-F474 HydrophobicContact CB-CZ 3.67Å; L469-F474 HydrophobicContact CD2-CB 4.16Å; L469-F474 HydrophobicContact CD2-CD2 4.14Å; L469-F474 HydrophobicContact CD2-CG 4.28Å; L469-F474 PolarHBondContact O-N 2.89Å; C472-F474 HydrophobicContact CB-CD2 3.66Å; C472-F474 HydrophobicContact CB-CE2 3.66Å; F474-G476 VanDerWaalsContact C-N 3.26Å
475	D	98.8	Very high	97.6	Very high	38 Å²	38	23.3 Å²	23.3	20%	0.203	13%	0.134	C	C	.	.	S	Bend	trans	-80.4	-14.7	176.1	-57.1	-83.5	0	0	0	111.8	R448 I455 V456 L507 I508	R448-D475 IonicContact CZ-OD1 2.73Å; R448-D475 IonicContact CZ-OD2 3.83Å; R448-D475 IonicContact NH1-OD1 2.71Å; R448-D475 IonicContact NH1-OD2 3.07Å; R448-D475 PolarHBondContact NH1-OD2 3.3Å; R448-D475 VanDerWaalsContact NH2-CG 3.34Å; R448-D475 IonicContact NH2-OD1 2.67Å; R448-D475 PolarHBondContact NH2-OD1 2.62Å; R448-D475 IonicContact NH2-OD2 3.81Å; R448-D475 PolarHBondContact NH2-OD2 3.23Å; I455-D475 WeakPolarHBondContact CA-OD2 3.28Å; I455-D475 HydrophobicContact CD1-CB 4.09Å; I455-D475 HydrophobicContact CG2-CB 3.94Å; V456-D475 PolarHBondContact N-OD2 3.04Å; V456-D475 PolarHBondContact O-N 2.96Å; V456-D475 VanDerWaalsContact O-N 3.1Å; D475-L507 WeakPolarHBondContact O-CA 3.39Å; D475-I508 PolarHBondContact O-N 2.8Å
476	G	98.7	Very high	97.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.5	-167.2	-176.9	0	0	0	0	0	113.6	L457 A458 F474 I508	L457-G476 WeakPolarHBondContact CA-O 3.35Å; A458-G476 PolarHBondContact N-O 3.37Å; A458-G476 VanDerWaalsContact N-O 3.08Å; F474-G476 VanDerWaalsContact C-N 3.26Å; G476-I508 CarbonylContact C-O 3.6Å; G476-I508 WeakPolarHBondContact CA-O 3.26Å
477	F	98.8	Very high	97.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	165.9	179	67.7	-98.4	0	0	0	112.5	A458 I460 L469 T479 L498 F501 A502 I508 A509 S510 F511	A458-F477 CarbonylContact O-C 3.46Å; A458-F477 WeakPolarHBondContact O-CA 3.34Å; A458-F477 WeakPolarHBondContact O-CB 3.45Å; I460-F477 HydrophobicContact CB-CB 4.23Å; I460-F477 HydrophobicContact CB-CD2 4.4Å; I460-F477 HydrophobicContact CB-CG 4.45Å; I460-F477 HydrophobicContact CG2-CB 4.02Å; I460-F477 HydrophobicContact CG2-CD2 3.4Å; I460-F477 VanDerWaalsContact CG2-CD2 3.4Å; I460-F477 HydrophobicContact CG2-CE2 4.1Å; I460-F477 HydrophobicContact CG2-CG 3.9Å; L469-F477 HydrophobicContact CD1-CB 3.8Å; L469-F477 HydrophobicContact CD1-CD1 3.74Å; L469-F477 HydrophobicContact CD1-CG 4.13Å; L469-F477 HydrophobicContact CD2-CB 4.13Å; F477-T479 HydrophobicContact CE2-CG2 4.49Å; F477-L498 HydrophobicContact CE2-CB 4.48Å; F477-L498 HydrophobicContact CZ-CB 4.01Å; F477-L498 HydrophobicContact CZ-CD2 4.36Å; F477-F501 HydrophobicContact CE1-CD1 4.33Å; F477-A502 HydrophobicContact CE1-CB 3.82Å; F477-A502 HydrophobicContact CZ-CB 4.28Å; F477-I508 PolarHBondContact N-O 3.23Å; F477-A509 HydrophobicContact CE1-CB 4.11Å; F477-A509 HydrophobicContact CE2-CB 4.08Å; F477-A509 HydrophobicContact CZ-CB 3.68Å; F477-S510 PolarHBondContact O-N 2.87Å; F477-F511 HydrophobicContact CE2-CE1 4.07Å; F477-F511 HydrophobicContact CE2-CZ 4.17Å; F477-F511 HydrophobicContact CZ-CE1 4.45Å; F477-F511 HydrophobicContact CZ-CZ 4.16Å
478	F	98.8	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.7	164.6	69.2	-75.5	0	0	0	111.1	F268 M384 Y423 Y425 L457 A458 L459 I460 Y480 S510	F268-F478 HydrophobicContact CE1-CE2 4.43Å; F268-F478 HydrophobicContact CE2-CD2 4.45Å; F268-F478 AromaticContact CZ-CD2 3.7Å; F268-F478 HydrophobicContact CZ-CD2 3.7Å; F268-F478 AromaticContact CZ-CE2 3.95Å; F268-F478 HydrophobicContact CZ-CE2 3.95Å; M384-F478 HydrophobicContact SD-CE2 4.49Å; Y423-F478 HydrophobicContact CD1-CB 3.83Å; Y423-F478 AromaticContact CD1-CD1 3.54Å; Y423-F478 HydrophobicContact CD1-CD1 3.54Å; Y423-F478 AromaticContact CD1-CD2 3.77Å; Y423-F478 HydrophobicContact CD1-CD2 3.77Å; Y423-F478 AromaticContact CD1-CE1 3.94Å; Y423-F478 HydrophobicContact CD1-CE1 3.94Å; Y423-F478 HydrophobicContact CD1-CE2 4.15Å; Y423-F478 AromaticContact CD1-CG 3.45Å; Y423-F478 HydrophobicContact CD1-CG 3.45Å; Y423-F478 VanDerWaalsContact CD1-CG 3.45Å; Y423-F478 HydrophobicContact CD1-CZ 4.22Å; Y423-F478 HydrophobicContact CE1-CB 3.66Å; Y423-F478 HydrophobicContact CE1-CD1 4.24Å; Y423-F478 HydrophobicContact CE1-CD2 4.29Å; Y423-F478 AromaticContact CE1-CG 3.84Å; Y423-F478 HydrophobicContact CE1-CG 3.84Å; Y423-F478 HydrophobicContact CG-CD1 4.41Å; Y423-F478 HydrophobicContact CG-CE1 4.48Å; Y425-F478 HydrophobicContact CD2-CE2 4.31Å; Y425-F478 HydrophobicContact CD2-CZ 4.32Å; L457-F478 HydrophobicContact CB-CD1 4.01Å; L457-F478 WeakPolarHBondContact O-CE1 3.28Å; A458-F478 VanDerWaalsContact C-CD1 3.5Å; A458-F478 VanDerWaalsContact C-CE1 3.49Å; A458-F478 VanDerWaalsContact O-CD1 3.32Å; A458-F478 WeakPolarHBondContact O-CD1 3Å; A458-F478 PolarHBondContact O-N 3.15Å; L459-F478 HydrophobicContact CB-CE1 3.94Å; L459-F478 HydrophobicContact CB-CE2 4.32Å; L459-F478 HydrophobicContact CB-CZ 3.76Å; L459-F478 HydrophobicContact CD1-CD2 4.32Å; L459-F478 HydrophobicContact CD1-CE2 4.01Å; L459-F478 HydrophobicContact CD1-CZ 4.32Å; L459-F478 VanDerWaalsContact N-CE1 3.25Å; I460-F478 WeakPolarHBondContact CG2-O 3.09Å; I460-F478 PolarHBondContact N-O 2.82Å; I460-F478 VanDerWaalsContact N-O 3.11Å; F478-Y480 HydrophobicContact CE2-CD2 4.26Å; F478-S510 WeakPolarHBondContact CA-O 3.46Å
479	T	98.7	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.			trans	-83.4	164.6	161.9	75.2	0	0	0	0	108.1	I460 F477 A489 S510 F511 S512	I460-T479 HydrophobicContact CG2-CG2 4.11Å; F477-T479 HydrophobicContact CE2-CG2 4.49Å; T479-A489 HydrophobicContact CG2-CB 4.09Å; T479-A489 VanDerWaalsContact CG2-O 3.3Å; T479-A489 WeakPolarHBondContact CG2-O 3.36Å; T479-S510 PolarHBondContact N-O 3.19Å; T479-F511 HydrophobicContact CG2-CD1 3.64Å; T479-F511 HydrophobicContact CG2-CE1 4.04Å; T479-S512 WeakPolarHBondContact O-CB 3.42Å; T479-S512 PolarHBondContact O-OG 3.19Å; T479-S512 PolarHBondContact OG1-N 2.77Å
480	Y	98.6	Very high	97.9	Very high	10 Å²	10	21.3 Å²	21.3	4%	0.039	12%	0.122	C	C	.	.			trans	-139.7	-54.5	-178.4	178.5	-94.4	0	0	0	112.9	F268 Y270 M384 Y425 F478 A482 T557	F268-Y480 AromaticContact CD2-CD2 3.98Å; F268-Y480 HydrophobicContact CD2-CD2 3.98Å; F268-Y480 AromaticContact CD2-CE2 3.99Å; F268-Y480 HydrophobicContact CD2-CE2 3.99Å; F268-Y480 AromaticContact CE2-CD2 3.78Å; F268-Y480 HydrophobicContact CE2-CD2 3.78Å; F268-Y480 HydrophobicContact CE2-CE2 4.26Å; F268-Y480 HydrophobicContact CG-CE2 4.33Å; F268-Y480 HydrophobicContact CZ-CD2 4.28Å; Y270-Y480 VanDerWaalsContact OH-CE2 3.26Å; Y270-Y480 WeakPolarHBondContact OH-CE2 3.44Å; Y270-Y480 PolarHBondContact OH-OH 3.3Å; M384-Y480 HydrophobicContact CE-CE2 4.47Å; M384-Y480 HydrophobicContact SD-CE2 4.38Å; Y425-Y480 HydrophobicContact CD2-CD2 4.24Å; Y425-Y480 HydrophobicContact CD2-CE2 4.41Å; Y425-Y480 HydrophobicContact CD2-CG 4.31Å; Y425-Y480 AromaticContact CE2-CD1 3.46Å; Y425-Y480 HydrophobicContact CE2-CD1 3.46Å; Y425-Y480 VanDerWaalsContact CE2-CD1 3.46Å; Y425-Y480 AromaticContact CE2-CD2 3.86Å; Y425-Y480 HydrophobicContact CE2-CD2 3.86Å; Y425-Y480 AromaticContact CE2-CE1 3.65Å; Y425-Y480 HydrophobicContact CE2-CE1 3.65Å; Y425-Y480 HydrophobicContact CE2-CE2 4.03Å; Y425-Y480 AromaticContact CE2-CG 3.57Å; Y425-Y480 HydrophobicContact CE2-CG 3.57Å; Y425-Y480 AromaticContact CE2-CZ 3.92Å; Y425-Y480 AromaticContact CZ-CD1 3.96Å; Y425-Y480 AromaticContact CZ-CE1 3.85Å; Y425-Y480 WeakPolarHBondContact OH-CE1 3.39Å; F478-Y480 HydrophobicContact CE2-CD2 4.26Å; Y480-A482 PolarHBondContact O-N 2.68Å; Y480-T557 HydrophobicContact CD1-CG2 4.31Å; Y480-T557 HydrophobicContact CD2-CG2 4.11Å; Y480-T557 HydrophobicContact CE1-CG2 4.01Å; Y480-T557 HydrophobicContact CE2-CG2 3.8Å; Y480-T557 HydrophobicContact CG-CG2 4.35Å; Y480-T557 VanDerWaalsContact O-CB 3.24Å; Y480-T557 WeakPolarHBondContact O-CB 3.26Å; Y480-T557 WeakPolarHBondContact O-CG2 3.09Å; Y480-T557 PolarHBondContact O-OG1 3.03Å
481	F	98.5	Very high	98	Very high	25 Å²	25	20.1 Å²	20.1	11%	0.11	12%	0.116	C	C	.	.			trans	-60.2	124.8	-169.3	-56	-76.7	0	0	0	113.2	V461 S483 F486 T487 S490	V461-F481 HydrophobicContact CG2-CE2 4.26Å; F481-S483 PolarHBondContact O-N 2.97Å; F481-F486 HydrophobicContact CB-CD1 3.8Å; F481-F486 AromaticContact CD1-CD1 3.72Å; F481-F486 HydrophobicContact CD1-CD1 3.72Å; F481-F486 AromaticContact CD1-CE1 3.59Å; F481-F486 HydrophobicContact CD1-CE1 3.59Å; F481-F486 AromaticContact CD2-CD1 3.89Å; F481-F486 HydrophobicContact CD2-CD1 3.89Å; F481-F486 HydrophobicContact CD2-CE1 4.09Å; F481-F486 HydrophobicContact CE1-CD1 4.27Å; F481-F486 AromaticContact CE1-CE1 3.69Å; F481-F486 HydrophobicContact CE1-CE1 3.69Å; F481-F486 HydrophobicContact CE2-CD1 4.41Å; F481-F486 HydrophobicContact CE2-CE1 4.17Å; F481-F486 AromaticContact CG-CD1 3.51Å; F481-F486 HydrophobicContact CG-CD1 3.51Å; F481-F486 AromaticContact CG-CE1 3.8Å; F481-F486 HydrophobicContact CG-CE1 3.8Å; F481-F486 AromaticContact CZ-CE1 3.99Å; F481-F486 HydrophobicContact CZ-CE1 3.99Å; F481-T487 HydrophobicContact CD2-CG2 3.77Å; F481-T487 HydrophobicContact CE2-CG2 4Å; F481-S490 VanDerWaalsContact O-CB 3.25Å; F481-S490 WeakPolarHBondContact O-CB 3.29Å
482	A	97.6	Very high	98.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	12%	0.115	C	C	.	.	S	Bend	trans	-70.2	-13.6	178.6	0	0	0	0	0	113.3	Y480 T484 G516 Y538 T566	Y480-A482 PolarHBondContact O-N 2.68Å; A482-T484 PolarHBondContact O-N 3.3Å; A482-G516 WeakPolarHBondContact CB-O 3.45Å; A482-Y538 WeakPolarHBondContact O-CE1 3.48Å; A482-Y538 PolarHBondContact O-OH 3.21Å; A482-T566 HydrophobicContact CB-CG2 3.77Å
483	S	98.4	Very high	98.1	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.014	15%	0.145	C	C	.	.	S	Bend	trans	-87.9	104.8	178.8	-169.7	0	0	0	0	111.8	F481 G485 F486 S490 S529 R531	F481-S483 PolarHBondContact O-N 2.97Å; S483-G485 PolarHBondContact O-N 3.47Å; S483-F486 WeakPolarHBondContact O-CB 3.49Å; S483-F486 PolarHBondContact O-N 2.82Å; S483-F486 VanDerWaalsContact O-N 3.11Å; S483-S490 WeakPolarHBondContact O-CB 3.39Å; S483-S490 PolarHBondContact O-OG 2.87Å; S483-S529 VanDerWaalsContact CB-O 3.31Å; S483-S529 WeakPolarHBondContact CB-O 3.39Å; S483-S529 PolarHBondContact OG-O 2.94Å; S483-R531 WeakPolarHBondContact OG-CG 3.27Å
484	T	96.6	Very high	98.1	Very high	33 Å²	33	24.8 Å²	24.8	20%	0.202	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	129.7	174.9	-59.3	0	0	0	0	109.3	A482 S490 R531 Y538	A482-T484 PolarHBondContact O-N 3.3Å; T484-S490 WeakPolarHBondContact CA-O 3.41Å; T484-R531 PolarHBondContact O-NE 2.87Å; T484-R531 VanDerWaalsContact O-NE 3.11Å; T484-R531 PolarHBondContact O-NH2 3.28Å; T484-Y538 WeakPolarHBondContact CB-OH 3.42Å; T484-Y538 PolarHBondContact N-OH 2.83Å; T484-Y538 PolarHBondContact OG1-OH 2.79Å
485	G	95.9	Very high	98.1	Very high	50 Å²	50	24.2 Å²	24.2	52%	0.515	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-6.2	-175.7	0	0	0	0	0	114.7	S483 T491	S483-G485 PolarHBondContact O-N 3.47Å; G485-T491 VanDerWaalsContact CA-OG1 3.27Å; G485-T491 WeakPolarHBondContact CA-OG1 2.98Å; G485-T491 PolarHBondContact N-OG1 3.14Å
486	F	96.6	Very high	98	Very high	102 Å²	102	28.1 Å²	28.1	45%	0.447	16%	0.164	S	C	.	.	S	Bend	trans	-69.4	-38.5	175.6	-179.1	-120.2	0	0	0	112.1	F481 S483 S490	F481-F486 HydrophobicContact CB-CD1 3.8Å; F481-F486 AromaticContact CD1-CD1 3.72Å; F481-F486 HydrophobicContact CD1-CD1 3.72Å; F481-F486 AromaticContact CD1-CE1 3.59Å; F481-F486 HydrophobicContact CD1-CE1 3.59Å; F481-F486 AromaticContact CD2-CD1 3.89Å; F481-F486 HydrophobicContact CD2-CD1 3.89Å; F481-F486 HydrophobicContact CD2-CE1 4.09Å; F481-F486 HydrophobicContact CE1-CD1 4.27Å; F481-F486 AromaticContact CE1-CE1 3.69Å; F481-F486 HydrophobicContact CE1-CE1 3.69Å; F481-F486 HydrophobicContact CE2-CD1 4.41Å; F481-F486 HydrophobicContact CE2-CE1 4.17Å; F481-F486 AromaticContact CG-CD1 3.51Å; F481-F486 HydrophobicContact CG-CD1 3.51Å; F481-F486 AromaticContact CG-CE1 3.8Å; F481-F486 HydrophobicContact CG-CE1 3.8Å; F481-F486 AromaticContact CZ-CE1 3.99Å; F481-F486 HydrophobicContact CZ-CE1 3.99Å; S483-F486 WeakPolarHBondContact O-CB 3.49Å; S483-F486 PolarHBondContact O-N 2.82Å; S483-F486 VanDerWaalsContact O-N 3.11Å; F486-S490 PolarHBondContact N-OG 3.27Å
487	T	97.5	Very high	97.9	Very high	20 Å²	20	32.4 Å²	32.4	12%	0.123	19%	0.187	C	C	.	.	S	Bend	trans	-138.4	165.7	178.7	65.6	0	0	0	0	109.7	V461 F481 A489 S490 T491	V461-T487 HydrophobicContact CG1-CG2 3.6Å; V461-T487 WeakPolarHBondContact O-CB 3.49Å; F481-T487 HydrophobicContact CD2-CG2 3.77Å; F481-T487 HydrophobicContact CE2-CG2 4Å; T487-A489 PolarHBondContact O-N 2.73Å; T487-S490 PolarHBondContact N-OG 3.25Å; T487-S490 PolarHBondContact O-N 3.23Å; T487-S490 PolarHBondContact O-OG 3.38Å; T487-S490 VanDerWaalsContact OG1-CB 3.32Å; T487-S490 WeakPolarHBondContact OG1-CB 3.44Å; T487-S490 PolarHBondContact OG1-N 2.96Å; T487-S490 PolarHBondContact OG1-OG 3.12Å; T487-S490 VanDerWaalsContact OG1-OG 3.05Å; T487-T491 PolarHBondContact O-N 2.71Å; T487-T491 PolarHBondContact O-OG1 3.23Å
488	Y	98.2	Very high	97.9	Very high	46 Å²	46	32.4 Å²	32.4	18%	0.18	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-45.2	172.2	168.8	-99.6	0	0	0	110.3	V461 Q463 T491 N494 L498	V461-Y488 WeakPolarHBondContact O-CB 3.31Å; V461-Y488 PolarHBondContact O-N 3.15Å; V461-Y488 VanDerWaalsContact O-N 3.12Å; Q463-Y488 HydrophobicContact CB-CD1 3.86Å; Q463-Y488 HydrophobicContact CB-CD2 4.17Å; Q463-Y488 HydrophobicContact CB-CE1 3.68Å; Q463-Y488 HydrophobicContact CB-CE2 4.03Å; Q463-Y488 HydrophobicContact CB-CG 4.09Å; Q463-Y488 HydrophobicContact CG-CE1 3.96Å; Q463-Y488 HydrophobicContact CG-CE2 4.26Å; Y488-T491 WeakPolarHBondContact O-CB 3.24Å; Y488-T491 PolarHBondContact O-N 3.25Å; Y488-N494 HydrophobicContact CD2-CB 4.17Å; Y488-N494 WeakPolarHBondContact CD2-ND2 3.22Å; Y488-N494 HydrophobicContact CE2-CB 3.77Å; Y488-N494 PolarHBondContact O-ND2 3.24Å; Y488-L498 HydrophobicContact CE1-CD1 4.16Å; Y488-L498 HydrophobicContact CE1-CD2 3.86Å; Y488-L498 HydrophobicContact CE1-CG 3.93Å
489	A	98.1	Very high	97.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-27.8	-177.3	0	0	0	0	0	114.7	I460 V461 T479 T487 T491 W495 L498	I460-A489 HydrophobicContact CB-CB 4.41Å; I460-A489 HydrophobicContact CG1-CB 4.21Å; I460-A489 HydrophobicContact CG2-CB 3.84Å; I460-A489 WeakPolarHBondContact O-CB 3.13Å; V461-A489 PolarHBondContact O-N 3.3Å; V461-A489 VanDerWaalsContact O-N 3.08Å; T479-A489 HydrophobicContact CG2-CB 4.09Å; T479-A489 VanDerWaalsContact CG2-O 3.3Å; T479-A489 WeakPolarHBondContact CG2-O 3.36Å; T487-A489 PolarHBondContact O-N 2.73Å; A489-T491 VanDerWaalsContact C-N 3.29Å; A489-W495 PolarHBondContact O-NE1 2.82Å; A489-L498 HydrophobicContact CB-CD1 4.34Å
490	S	97.8	Very high	97.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.9	173.6	70.9	0	0	0	0	113.1	F481 S483 T484 F486 T487 T492	F481-S490 VanDerWaalsContact O-CB 3.25Å; F481-S490 WeakPolarHBondContact O-CB 3.29Å; S483-S490 WeakPolarHBondContact O-CB 3.39Å; S483-S490 PolarHBondContact O-OG 2.87Å; T484-S490 WeakPolarHBondContact CA-O 3.41Å; F486-S490 PolarHBondContact N-OG 3.27Å; T487-S490 PolarHBondContact N-OG 3.25Å; T487-S490 PolarHBondContact O-N 3.23Å; T487-S490 PolarHBondContact O-OG 3.38Å; T487-S490 VanDerWaalsContact OG1-CB 3.32Å; T487-S490 WeakPolarHBondContact OG1-CB 3.44Å; T487-S490 PolarHBondContact OG1-N 2.96Å; T487-S490 PolarHBondContact OG1-OG 3.12Å; T487-S490 VanDerWaalsContact OG1-OG 3.05Å; S490-T492 PolarHBondContact O-N 2.96Å
491	T	98.6	Very high	97.8	Very high	31 Å²	31	35.4 Å²	35.4	19%	0.19	21%	0.207	C	C	.	.			trans	-81.5	107.1	177.5	-59	0	0	0	0	110	G485 T487 Y488 A489 A493 N494	G485-T491 VanDerWaalsContact CA-OG1 3.27Å; G485-T491 WeakPolarHBondContact CA-OG1 2.98Å; G485-T491 PolarHBondContact N-OG1 3.14Å; T487-T491 PolarHBondContact O-N 2.71Å; T487-T491 PolarHBondContact O-OG1 3.23Å; Y488-T491 WeakPolarHBondContact O-CB 3.24Å; Y488-T491 PolarHBondContact O-N 3.25Å; A489-T491 VanDerWaalsContact C-N 3.29Å; T491-A493 HydrophobicContact CG2-CB 4.25Å; T491-A493 PolarHBondContact O-N 2.8Å; T491-A493 VanDerWaalsContact O-N 3.1Å; T491-N494 WeakPolarHBondContact CB-ND2 3.34Å; T491-N494 WeakPolarHBondContact O-CB 3.43Å; T491-N494 PolarHBondContact O-N 3.15Å
492	T	98.3	Very high	97.8	Very high	30 Å²	30	34.4 Å²	34.4	18%	0.184	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-58.9	-27.7	-173.2	60.2	0	0	0	0	114.2	S490 N494 W495 M542	S490-T492 PolarHBondContact O-N 2.96Å; T492-N494 PolarHBondContact O-N 3.24Å; T492-W495 HydrophobicContact CG2-CD2 4.22Å; T492-W495 HydrophobicContact CG2-CE3 4.2Å; T492-W495 HydrophobicContact CG2-CH2 3.92Å; T492-W495 HydrophobicContact CG2-CZ2 3.92Å; T492-W495 HydrophobicContact CG2-CZ3 4.03Å; T492-W495 WeakPolarHBondContact O-CB 3.17Å; T492-W495 PolarHBondContact O-N 2.79Å; T492-W495 VanDerWaalsContact O-N 3.09Å; T492-M542 HydrophobicContact CG2-CE 4.48Å; T492-M542 HydrophobicContact CG2-CG 4.41Å
493	A	98.1	Very high	97.7	Very high	79 Å²	79	42.2 Å²	42.2	65%	0.653	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-60.5	-25.8	174.7	0	0	0	0	0	113.2	T491	T491-A493 HydrophobicContact CG2-CB 4.25Å; T491-A493 PolarHBondContact O-N 2.8Å; T491-A493 VanDerWaalsContact O-N 3.1Å
494	N	98.5	Very high	97.7	Very high	38 Å²	38	49.3 Å²	49.3	20%	0.203	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-89.3	-7.2	179	-57.2	-28.6	0	0	0	112.8	Y488 T491 T492 H496 D497 L498	Y488-N494 HydrophobicContact CD2-CB 4.17Å; Y488-N494 WeakPolarHBondContact CD2-ND2 3.22Å; Y488-N494 HydrophobicContact CE2-CB 3.77Å; Y488-N494 PolarHBondContact O-ND2 3.24Å; T491-N494 WeakPolarHBondContact CB-ND2 3.34Å; T491-N494 WeakPolarHBondContact O-CB 3.43Å; T491-N494 PolarHBondContact O-N 3.15Å; T492-N494 PolarHBondContact O-N 3.24Å; N494-H496 VanDerWaalsContact C-N 3.28Å; N494-H496 PolarHBondContact O-N 2.73Å; N494-D497 PolarHBondContact O-N 3.12Å; N494-D497 VanDerWaalsContact O-N 3.15Å; N494-L498 PolarHBondContact O-N 3.41Å
495	W	98.5	Very high	97.8	Very high	2 Å²	2	51 Å²	51	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-29.1	-174.4	-71.2	1.6	0	0	0	113.2	A489 T492 D497 A499 F511 S512 V513 M542 A546 T549	A489-W495 PolarHBondContact O-NE1 2.82Å; T492-W495 HydrophobicContact CG2-CD2 4.22Å; T492-W495 HydrophobicContact CG2-CE3 4.2Å; T492-W495 HydrophobicContact CG2-CH2 3.92Å; T492-W495 HydrophobicContact CG2-CZ2 3.92Å; T492-W495 HydrophobicContact CG2-CZ3 4.03Å; T492-W495 WeakPolarHBondContact O-CB 3.17Å; T492-W495 PolarHBondContact O-N 2.79Å; T492-W495 VanDerWaalsContact O-N 3.09Å; W495-D497 VanDerWaalsContact C-N 3.33Å; W495-A499 WeakPolarHBondContact O-CB 3.26Å; W495-A499 PolarHBondContact O-N 3.1Å; W495-F511 HydrophobicContact CB-CD1 4Å; W495-F511 HydrophobicContact CB-CE1 3.68Å; W495-F511 HydrophobicContact CB-CZ 4.05Å; W495-F511 AromaticContact CD1-CD1 3.64Å; W495-F511 AromaticContact CD1-CE1 3.64Å; W495-F511 HydrophobicContact CD2-CB 4.19Å; W495-F511 AromaticContact CD2-CD1 3.48Å; W495-F511 HydrophobicContact CD2-CD1 3.48Å; W495-F511 VanDerWaalsContact CD2-CD1 3.48Å; W495-F511 HydrophobicContact CD2-CE1 4.08Å; W495-F511 AromaticContact CD2-CG 3.95Å; W495-F511 HydrophobicContact CD2-CG 3.95Å; W495-F511 AromaticContact CE2-CD1 3.67Å; W495-F511 HydrophobicContact CE3-CB 4Å; W495-F511 HydrophobicContact CE3-CD1 4.08Å; W495-F511 HydrophobicContact CE3-CG 4.07Å; W495-F511 AromaticContact CG-CD1 3.46Å; W495-F511 HydrophobicContact CG-CD1 3.46Å; W495-F511 VanDerWaalsContact CG-CD1 3.46Å; W495-F511 AromaticContact CG-CE1 3.53Å; W495-F511 HydrophobicContact CG-CE1 3.53Å; W495-F511 HydrophobicContact CG-CG 4.24Å; W495-F511 HydrophobicContact CG-CZ 4.36Å; W495-F511 HydrophobicContact CH2-CB 4.12Å; W495-F511 HydrophobicContact CZ2-CB 4.3Å; W495-F511 HydrophobicContact CZ2-CD1 4.38Å; W495-F511 HydrophobicContact CZ3-CB 3.98Å; W495-F511 AromaticContact NE1-CD1 3.75Å; W495-F511 WeakPolarHBondContact O-CZ 3.45Å; W495-S512 VanDerWaalsContact CH2-O 3.3Å; W495-S512 WeakPolarHBondContact CH2-O 3.41Å; W495-S512 WeakPolarHBondContact CZ2-O 3.39Å; W495-V513 HydrophobicContact CH2-CG1 4.18Å; W495-V513 HydrophobicContact CZ3-CG1 4.39Å; W495-M542 HydrophobicContact CH2-CE 4.07Å; W495-M542 HydrophobicContact CZ2-CE 4.23Å; W495-M542 WeakPolarHBondContact CZ3-O 3.45Å; W495-A546 HydrophobicContact CE3-CB 4.26Å; W495-A546 HydrophobicContact CZ3-CB 3.72Å; W495-T549 HydrophobicContact CB-CG2 3.7Å
496	H	97.3	Very high	97.8	Very high	121 Å²	121	52 Å²	52	56%	0.56	29%	0.29	S	S	*	.	H	α-helix	trans	-61.2	-42.9	172.9	175.4	-84.5	0	0	0	111.8	N494 A499 S500	N494-H496 VanDerWaalsContact C-N 3.28Å; N494-H496 PolarHBondContact O-N 2.73Å; H496-A499 PolarHBondContact O-N 2.87Å; H496-S500 WeakPolarHBondContact O-CB 3.47Å; H496-S500 PolarHBondContact O-N 3.11Å; H496-S500 PolarHBondContact O-OG 2.74Å
497	D	97.2	Very high	97.9	Very high	89 Å²	89	48 Å²	48	48%	0.476	27%	0.273	S	S	.	.	H	α-helix	trans	-72.6	-41.9	-178.8	-64.8	-15	0	0	0	110.6	N494 W495 A499 S500 F501	N494-D497 PolarHBondContact O-N 3.12Å; N494-D497 VanDerWaalsContact O-N 3.15Å; W495-D497 VanDerWaalsContact C-N 3.33Å; D497-A499 VanDerWaalsContact C-N 3.32Å; D497-A499 PolarHBondContact O-N 2.89Å; D497-S500 WeakPolarHBondContact O-CB 3.25Å; D497-S500 PolarHBondContact O-N 3.17Å; D497-F501 WeakPolarHBondContact O-CB 3.24Å; D497-F501 PolarHBondContact O-N 3.42Å
498	L	98.2	Very high	97.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-40.3	172	-78.9	170.5	0	0	0	112.7	I460 E466 F477 Y488 A489 N494 F501 A502 F511	I460-L498 HydrophobicContact CD1-CD2 3.61Å; I460-L498 HydrophobicContact CG1-CD2 4.46Å; E466-L498 HydrophobicContact CG-CD2 4.33Å; F477-L498 HydrophobicContact CE2-CB 4.48Å; F477-L498 HydrophobicContact CZ-CB 4.01Å; F477-L498 HydrophobicContact CZ-CD2 4.36Å; Y488-L498 HydrophobicContact CE1-CD1 4.16Å; Y488-L498 HydrophobicContact CE1-CD2 3.86Å; Y488-L498 HydrophobicContact CE1-CG 3.93Å; A489-L498 HydrophobicContact CB-CD1 4.34Å; N494-L498 PolarHBondContact O-N 3.41Å; L498-F501 PolarHBondContact O-N 3.02Å; L498-A502 WeakPolarHBondContact O-CB 3.06Å; L498-A502 PolarHBondContact O-N 3.1Å; L498-F511 HydrophobicContact CB-CE1 3.87Å; L498-F511 HydrophobicContact CB-CZ 3.81Å; L498-F511 HydrophobicContact CD1-CE1 4.09Å
499	A	98.1	Very high	98	Very high	11 Å²	11	45.6 Å²	45.6	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-69	-40.4	177.1	0	0	0	0	0	111.8	W495 H496 D497 F501 A502 H503 F511 T549	W495-A499 WeakPolarHBondContact O-CB 3.26Å; W495-A499 PolarHBondContact O-N 3.1Å; H496-A499 PolarHBondContact O-N 2.87Å; D497-A499 VanDerWaalsContact C-N 3.32Å; D497-A499 PolarHBondContact O-N 2.89Å; A499-F501 VanDerWaalsContact C-N 3.34Å; A499-A502 WeakPolarHBondContact O-CB 3.22Å; A499-A502 PolarHBondContact O-N 2.98Å; A499-H503 WeakPolarHBondContact O-CB 3.11Å; A499-H503 PolarHBondContact O-N 3.44Å; A499-F511 HydrophobicContact CB-CE2 3.99Å; A499-F511 HydrophobicContact CB-CZ 4.08Å; A499-T549 HydrophobicContact CB-CG2 4.24Å; A499-T549 WeakPolarHBondContact CB-O 3.47Å
500	S	97.4	Very high	98	Very high	37 Å²	37	45.6 Å²	45.6	26%	0.259	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-44.4	173.9	-63.5	0	0	0	0	111.2	H496 D497 H503 Q504	H496-S500 WeakPolarHBondContact O-CB 3.47Å; H496-S500 PolarHBondContact O-N 3.11Å; H496-S500 PolarHBondContact O-OG 2.74Å; D497-S500 WeakPolarHBondContact O-CB 3.25Å; D497-S500 PolarHBondContact O-N 3.17Å; S500-H503 PolarHBondContact O-N 3.34Å; S500-Q504 WeakPolarHBondContact O-CB 3.39Å; S500-Q504 WeakPolarHBondContact O-CG 3.02Å; S500-Q504 PolarHBondContact O-N 2.92Å
501	F	97.7	Very high	98	Very high	25 Å²	25	45.5 Å²	45.5	11%	0.11	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-46.5	173.2	167.8	-98.4	0	0	0	111.5	E466 L469 L470 F477 D497 L498 A499 H503 Q504 N505 L507	E466-F501 HydrophobicContact CB-CD1 4.34Å; E466-F501 HydrophobicContact CB-CD2 4.22Å; E466-F501 HydrophobicContact CB-CE1 3.93Å; E466-F501 HydrophobicContact CB-CE2 3.81Å; E466-F501 HydrophobicContact CB-CG 4.48Å; E466-F501 HydrophobicContact CB-CZ 3.67Å; E466-F501 HydrophobicContact CG-CD1 3.95Å; E466-F501 HydrophobicContact CG-CD2 4.33Å; E466-F501 HydrophobicContact CG-CE1 3.97Å; E466-F501 HydrophobicContact CG-CE2 4.36Å; E466-F501 HydrophobicContact CG-CG 4.14Å; E466-F501 HydrophobicContact CG-CZ 4.19Å; E466-F501 VanDerWaalsContact O-CZ 3.28Å; E466-F501 WeakPolarHBondContact O-CZ 3.47Å; L469-F501 HydrophobicContact CD1-CE1 3.98Å; L470-F501 HydrophobicContact CD1-CE2 4.08Å; L470-F501 HydrophobicContact CD1-CZ 4.17Å; L470-F501 HydrophobicContact CD2-CZ 4.17Å; L470-F501 HydrophobicContact CG-CE2 4.45Å; L470-F501 HydrophobicContact CG-CZ 4.03Å; F477-F501 HydrophobicContact CE1-CD1 4.33Å; D497-F501 WeakPolarHBondContact O-CB 3.24Å; D497-F501 PolarHBondContact O-N 3.42Å; L498-F501 PolarHBondContact O-N 3.02Å; A499-F501 VanDerWaalsContact C-N 3.34Å; F501-H503 PolarHBondContact O-N 3.47Å; F501-Q504 PolarHBondContact O-N 2.91Å; F501-N505 VanDerWaalsContact CD2-ND2 3.34Å; F501-N505 WeakPolarHBondContact CD2-ND2 3.31Å; F501-N505 VanDerWaalsContact CE2-ND2 3.28Å; F501-N505 WeakPolarHBondContact CE2-ND2 3.39Å; F501-N505 PolarHBondContact O-N 3.21Å; F501-N505 PolarHBondContact O-ND2 3.04Å; F501-L507 HydrophobicContact CD1-CD1 4.21Å; F501-L507 HydrophobicContact CE1-CD1 3.4Å; F501-L507 HydrophobicContact CZ-CD1 3.85Å
502	A	98.4	Very high	98.1	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-49.1	178.5	0	0	0	0	0	111.5	F477 L498 A499 Q504 N505 G506 L507 A509	F477-A502 HydrophobicContact CE1-CB 3.82Å; F477-A502 HydrophobicContact CZ-CB 4.28Å; L498-A502 WeakPolarHBondContact O-CB 3.06Å; L498-A502 PolarHBondContact O-N 3.1Å; A499-A502 WeakPolarHBondContact O-CB 3.22Å; A499-A502 PolarHBondContact O-N 2.98Å; A502-Q504 PolarHBondContact O-N 3.21Å; A502-N505 CarbonylContact O-C 3.54Å; A502-N505 PolarHBondContact O-N 3.35Å; A502-G506 PolarHBondContact O-N 3.04Å; A502-L507 HydrophobicContact CB-CB 4.18Å; A502-L507 PolarHBondContact O-N 3.46Å; A502-A509 HydrophobicContact CB-CB 3.84Å
503	H	97.2	Very high	98.1	Very high	166 Å²	166	42.7 Å²	42.7	77%	0.769	25%	0.245	S	C	*	.	H	α-helix	trans	-60.7	-46.6	179.6	-176.9	77.7	0	0	0	112.2	A499 S500 F501 N505 G506	A499-H503 WeakPolarHBondContact O-CB 3.11Å; A499-H503 PolarHBondContact O-N 3.44Å; S500-H503 PolarHBondContact O-N 3.34Å; F501-H503 PolarHBondContact O-N 3.47Å; H503-N505 PolarHBondContact O-N 2.91Å; H503-G506 PolarHBondContact O-N 3.15Å
504	Q	97.6	Very high	98.1	Very high	150 Å²	150	38.9 Å²	38.9	70%	0.701	21%	0.214	S	C	*	.	H	α-helix	trans	-62.2	-27.8	-179.9	-73.7	171.3	32.5	0	0	113.1	S500 F501 A502	S500-Q504 WeakPolarHBondContact O-CB 3.39Å; S500-Q504 WeakPolarHBondContact O-CG 3.02Å; S500-Q504 PolarHBondContact O-N 2.92Å; F501-Q504 PolarHBondContact O-N 2.91Å; A502-Q504 PolarHBondContact O-N 3.21Å
505	N	97.7	Very high	98.1	Very high	68 Å²	68	37.1 Å²	37.1	36%	0.364	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	6.4	-177.9	-65.9	-81.3	0	0	0	113.6	L470 F501 A502 H503 L507	L470-N505 WeakPolarHBondContact CD1-OD1 3.3Å; L470-N505 HydrophobicContact CD2-CB 3.67Å; F501-N505 VanDerWaalsContact CD2-ND2 3.34Å; F501-N505 WeakPolarHBondContact CD2-ND2 3.31Å; F501-N505 VanDerWaalsContact CE2-ND2 3.28Å; F501-N505 WeakPolarHBondContact CE2-ND2 3.39Å; F501-N505 PolarHBondContact O-N 3.21Å; F501-N505 PolarHBondContact O-ND2 3.04Å; A502-N505 CarbonylContact O-C 3.54Å; A502-N505 PolarHBondContact O-N 3.35Å; H503-N505 PolarHBondContact O-N 2.91Å; N505-L507 HydrophobicContact CB-CD1 4.09Å; N505-L507 HydrophobicContact CB-CG 3.97Å; N505-L507 PolarHBondContact O-N 3.1Å
506	G	96.9	Very high	98.1	Very high	71 Å²	71	37 Å²	37	73%	0.732	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	26.3	-179.5	0	0	0	0	0	114.1	A502 H503	A502-G506 PolarHBondContact O-N 3.04Å; H503-G506 PolarHBondContact O-N 3.15Å
507	L	98.4	Very high	98.2	Very high	19 Å²	19	32 Å²	32	10%	0.099	18%	0.18	C	C	.	.			trans	-87.1	148.4	-178.1	-63.9	175	0	0	0	111.7	L469 L470 D475 F501 A502 N505	L469-L507 HydrophobicContact CD1-CD1 4.45Å; L470-L507 HydrophobicContact CD2-CD1 3.98Å; L470-L507 HydrophobicContact CD2-CD2 4.38Å; L470-L507 HydrophobicContact CD2-CG 4.4Å; D475-L507 WeakPolarHBondContact O-CA 3.39Å; F501-L507 HydrophobicContact CD1-CD1 4.21Å; F501-L507 HydrophobicContact CE1-CD1 3.4Å; F501-L507 HydrophobicContact CZ-CD1 3.85Å; A502-L507 HydrophobicContact CB-CB 4.18Å; A502-L507 PolarHBondContact O-N 3.46Å; N505-L507 HydrophobicContact CB-CD1 4.09Å; N505-L507 HydrophobicContact CB-CG 3.97Å; N505-L507 PolarHBondContact O-N 3.1Å
508	I	98.7	Very high	98.3	Very high	12 Å²	12	28.9 Å²	28.9	6%	0.062	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.7	166.3	-68	170.4	0	0	0	108.8	Y416 I455 L457 D475 G476 F477 T552 F553	Y416-I508 HydrophobicContact CD1-CD1 3.78Å; Y416-I508 HydrophobicContact CE1-CD1 3.71Å; Y416-I508 HydrophobicContact CE1-CG1 4.33Å; I455-I508 HydrophobicContact CD1-CD1 4.11Å; I455-I508 HydrophobicContact CG1-CD1 4.33Å; I455-I508 HydrophobicContact CG2-CD1 3.6Å; L457-I508 HydrophobicContact CD1-CG2 4.36Å; L457-I508 HydrophobicContact CD2-CB 3.91Å; L457-I508 HydrophobicContact CD2-CG2 3.73Å; D475-I508 PolarHBondContact O-N 2.8Å; G476-I508 CarbonylContact C-O 3.6Å; G476-I508 WeakPolarHBondContact CA-O 3.26Å; F477-I508 PolarHBondContact N-O 3.23Å; I508-T552 HydrophobicContact CG1-CG2 4.38Å; I508-T552 HydrophobicContact CG2-CG2 4.1Å; I508-F553 HydrophobicContact CG2-CD2 3.68Å; I508-F553 HydrophobicContact CG2-CE2 3.45Å; I508-F553 VanDerWaalsContact CG2-CE2 3.45Å; I508-F553 HydrophobicContact CG2-CZ 4.21Å
509	A	98.7	Very high	98.3	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.025	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	173.7	0	0	0	0	0	110.6	F477 A502 F511 T552 F553	F477-A509 HydrophobicContact CE1-CB 4.11Å; F477-A509 HydrophobicContact CE2-CB 4.08Å; F477-A509 HydrophobicContact CZ-CB 3.68Å; A502-A509 HydrophobicContact CB-CB 3.84Å; A509-F511 HydrophobicContact CB-CE2 4.14Å; A509-T552 PolarHBondContact O-N 3.41Å; A509-F553 PolarHBondContact O-N 3.05Å
510	S	98.8	Very high	98.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	101.7	172.8	-169.6	0	0	0	0	109.8	Y423 F477 F478 T479 F553 S555	Y423-S510 PolarHBondContact OH-OG 2.89Å; F477-S510 PolarHBondContact O-N 2.87Å; F478-S510 WeakPolarHBondContact CA-O 3.46Å; T479-S510 PolarHBondContact N-O 3.19Å; S510-F553 WeakPolarHBondContact CA-O 3.21Å; S510-S555 WeakPolarHBondContact OG-CB 3.28Å; S510-S555 PolarHBondContact OG-OG 3.17Å
511	F	98.8	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.6	175.3	-68	-73.8	0	0	0	110.5	F477 T479 W495 L498 A499 A509 A546 T549 S551 F553 S555	F477-F511 HydrophobicContact CE2-CE1 4.07Å; F477-F511 HydrophobicContact CE2-CZ 4.17Å; F477-F511 HydrophobicContact CZ-CE1 4.45Å; F477-F511 HydrophobicContact CZ-CZ 4.16Å; T479-F511 HydrophobicContact CG2-CD1 3.64Å; T479-F511 HydrophobicContact CG2-CE1 4.04Å; W495-F511 HydrophobicContact CB-CD1 4Å; W495-F511 HydrophobicContact CB-CE1 3.68Å; W495-F511 HydrophobicContact CB-CZ 4.05Å; W495-F511 AromaticContact CD1-CD1 3.64Å; W495-F511 AromaticContact CD1-CE1 3.64Å; W495-F511 HydrophobicContact CD2-CB 4.19Å; W495-F511 AromaticContact CD2-CD1 3.48Å; W495-F511 HydrophobicContact CD2-CD1 3.48Å; W495-F511 VanDerWaalsContact CD2-CD1 3.48Å; W495-F511 HydrophobicContact CD2-CE1 4.08Å; W495-F511 AromaticContact CD2-CG 3.95Å; W495-F511 HydrophobicContact CD2-CG 3.95Å; W495-F511 AromaticContact CE2-CD1 3.67Å; W495-F511 HydrophobicContact CE3-CB 4Å; W495-F511 HydrophobicContact CE3-CD1 4.08Å; W495-F511 HydrophobicContact CE3-CG 4.07Å; W495-F511 AromaticContact CG-CD1 3.46Å; W495-F511 HydrophobicContact CG-CD1 3.46Å; W495-F511 VanDerWaalsContact CG-CD1 3.46Å; W495-F511 AromaticContact CG-CE1 3.53Å; W495-F511 HydrophobicContact CG-CE1 3.53Å; W495-F511 HydrophobicContact CG-CG 4.24Å; W495-F511 HydrophobicContact CG-CZ 4.36Å; W495-F511 HydrophobicContact CH2-CB 4.12Å; W495-F511 HydrophobicContact CZ2-CB 4.3Å; W495-F511 HydrophobicContact CZ2-CD1 4.38Å; W495-F511 HydrophobicContact CZ3-CB 3.98Å; W495-F511 AromaticContact NE1-CD1 3.75Å; W495-F511 WeakPolarHBondContact O-CZ 3.45Å; L498-F511 HydrophobicContact CB-CE1 3.87Å; L498-F511 HydrophobicContact CB-CZ 3.81Å; L498-F511 HydrophobicContact CD1-CE1 4.09Å; A499-F511 HydrophobicContact CB-CE2 3.99Å; A499-F511 HydrophobicContact CB-CZ 4.08Å; A509-F511 HydrophobicContact CB-CE2 4.14Å; F511-A546 HydrophobicContact CB-CB 4.34Å; F511-T549 HydrophobicContact CD2-CG2 3.95Å; F511-T549 WeakPolarHBondContact CD2-OG1 3.29Å; F511-T549 HydrophobicContact CE2-CG2 3.73Å; F511-T549 WeakPolarHBondContact CE2-OG1 3.38Å; F511-T549 HydrophobicContact CZ-CG2 4.24Å; F511-S551 VanDerWaalsContact CD2-CB 3.49Å; F511-F553 PolarHBondContact N-O 3.2Å; F511-S555 PolarHBondContact O-N 2.83Å
512	S	98.8	Very high	98.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.9	178.1	-71.2	0	0	0	0	112.7	F268 T479 W495 M542 S555 T557	F268-S512 WeakPolarHBondContact CE2-OG 3.2Å; T479-S512 WeakPolarHBondContact O-CB 3.42Å; T479-S512 PolarHBondContact O-OG 3.19Å; T479-S512 PolarHBondContact OG1-N 2.77Å; W495-S512 VanDerWaalsContact CH2-O 3.3Å; W495-S512 WeakPolarHBondContact CH2-O 3.41Å; W495-S512 WeakPolarHBondContact CZ2-O 3.39Å; S512-M542 WeakPolarHBondContact O-CE 3.29Å; S512-S555 CarbonylContact C-O 3.56Å; S512-S555 WeakPolarHBondContact CA-O 3.29Å; S512-S555 WeakPolarHBondContact CA-OG 3.45Å; S512-S555 PolarHBondContact N-OG 3.43Å; S512-S555 WeakPolarHBondContact OG-CB 3.04Å; S512-S555 PolarHBondContact OG-OG 3.4Å; S512-T557 WeakPolarHBondContact CB-OG1 3.27Å
513	V	98.9	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	146.2	170.6	-60.8	0	0	0	0	109.7	W495 Y539 M542 W543 A546 I554 S555 I556 T557	W495-V513 HydrophobicContact CH2-CG1 4.18Å; W495-V513 HydrophobicContact CZ3-CG1 4.39Å; V513-Y539 HydrophobicContact CB-CE2 4.12Å; V513-Y539 HydrophobicContact CG2-CE2 3.79Å; V513-M542 HydrophobicContact CB-CB 3.98Å; V513-M542 HydrophobicContact CG1-CB 3.89Å; V513-W543 HydrophobicContact CG1-CD2 4.46Å; V513-W543 HydrophobicContact CG1-CG 4.34Å; V513-W543 HydrophobicContact CG2-CD2 4.08Å; V513-W543 HydrophobicContact CG2-CG 4.31Å; V513-W543 HydrophobicContact CG2-CZ2 3.93Å; V513-A546 HydrophobicContact CG1-CB 4.05Å; V513-I554 HydrophobicContact CG1-CG2 4.25Å; V513-I554 HydrophobicContact CG2-CG2 4.15Å; V513-S555 WeakPolarHBondContact CG2-O 3.27Å; V513-S555 PolarHBondContact N-O 3.3Å; V513-I556 HydrophobicContact CG2-CG1 4.03Å; V513-I556 CarbonylContact O-C 3.52Å; V513-I556 WeakPolarHBondContact O-CA 3.31Å; V513-T557 PolarHBondContact O-N 2.96Å
514	G	98.7	Very high	98.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.			trans	-140.1	150.5	176.9	0	0	0	0	0	111.7	G516 Y539 M542 T557	G514-G516 PolarHBondContact O-N 3.49Å; G514-Y539 VanDerWaalsContact C-CD2 3.41Å; G514-Y539 WeakPolarHBondContact O-CD2 3.45Å; G514-M542 PolarHBondContact N-SD 3.01Å; G514-M542 VanDerWaalsContact N-SD 3.38Å; G514-T557 WeakPolarHBondContact CA-O 3.22Å
515	P	98.5	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-70.5	-19.7	-173.8	29.8	-35.5	0	0	0	113.3	R533 Y539 T566 I568 Y592	P515-R533 VanDerWaalsContact O-CA 3.31Å; P515-R533 WeakPolarHBondContact O-CA 3.18Å; P515-R533 VanDerWaalsContact O-CB 3.26Å; P515-R533 WeakPolarHBondContact O-CB 3.24Å; P515-R533 VanDerWaalsContact O-CG 3.28Å; P515-R533 WeakPolarHBondContact O-CG 3.26Å; P515-Y539 HydrophobicContact CB-CD2 4.37Å; P515-Y539 HydrophobicContact CB-CG 4.29Å; P515-T566 WeakPolarHBondContact CD-O 3.36Å; P515-T566 WeakPolarHBondContact CG-O 3.4Å; P515-I568 HydrophobicContact CB-CG2 4.43Å; P515-I568 HydrophobicContact CG-CG2 4.16Å; P515-Y592 HydrophobicContact CB-CD1 3.57Å; P515-Y592 HydrophobicContact CB-CE1 3.49Å; P515-Y592 VanDerWaalsContact CB-CE1 3.49Å; P515-Y592 HydrophobicContact CB-CG 4.37Å
516	G	98.5	Very high	97.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.			trans	160.7	-171	-176.5	0	0	0	0	0	108.3	A482 G514 R531	A482-G516 WeakPolarHBondContact CB-O 3.45Å; G514-G516 PolarHBondContact O-N 3.49Å; G516-R531 CarbonylContact C-O 3.54Å; G516-R531 VanDerWaalsContact CA-O 3.24Å; G516-R531 WeakPolarHBondContact CA-O 2.99Å
517	Y	98.8	Very high	97.9	Very high	15 Å²	15	17.1 Å²	17.1	6%	0.059	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-148.8	129.7	177.1	-174.5	-87.6	0	0	0	109.3	D519 R523 S529 T530 R531 E564 T566	Y517-D519 HydrophobicContact CE1-CB 3.98Å; Y517-D519 WeakPolarHBondContact CE1-OD1 3.37Å; Y517-D519 PolarHBondContact OH-OD2 3.28Å; Y517-R523 PolarHBondContact OH-NH1 3.11Å; Y517-S529 WeakPolarHBondContact CD1-O 3.48Å; Y517-T530 CarbonylContact O-C 3.53Å; Y517-T530 WeakPolarHBondContact O-CA 3.4Å; Y517-R531 PolarHBondContact N-O 2.93Å; Y517-R531 PolarHBondContact O-N 2.79Å; Y517-E564 HydrophobicContact CD2-CB 4.04Å; Y517-E564 HydrophobicContact CE2-CB 3.58Å; Y517-E564 HydrophobicContact CE2-CG 3.95Å; Y517-E564 WeakPolarHBondContact CE2-OE2 3.43Å; Y517-E564 PolarHBondContact OH-OE1 3.46Å; Y517-T566 HydrophobicContact CD2-CG2 3.84Å
518	I	98.7	Very high	97.7	Very high	24 Å²	24	21.6 Å²	21.6	12%	0.123	11%	0.114	C	C	.	.			trans	-159.7	108.8	171	-172.1	-179.5	0	0	0	109.7	N315 Y316 E520 T530 E564 G565 L582	N315-I518 HydrophobicContact CB-CD1 4.19Å; N315-I518 HydrophobicContact CB-CG1 4.38Å; N315-I518 HydrophobicContact CB-CG2 3.78Å; N315-I518 WeakPolarHBondContact ND2-CG1 3.06Å; N315-I518 PolarHBondContact ND2-O 3.37Å; Y316-I518 HydrophobicContact CD2-CG2 4.48Å; Y316-I518 HydrophobicContact CE2-CG2 3.74Å; I518-E520 HydrophobicContact CG1-CG 4.33Å; I518-T530 HydrophobicContact CB-CG2 4.19Å; I518-T530 HydrophobicContact CD1-CG2 4.47Å; I518-T530 HydrophobicContact CG1-CG2 4.16Å; I518-E564 CarbonylContact C-O 3.42Å; I518-E564 PolarHBondContact N-O 2.95Å; I518-E564 CarbonylContact O-C 3.59Å; I518-E564 VanDerWaalsContact O-C 3.26Å; I518-G565 PolarHBondContact O-N 3Å; I518-L582 HydrophobicContact CD1-CD1 3.94Å; I518-L582 HydrophobicContact CG2-CD1 4.35Å
519	D	98.1	Very high	97.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.			trans	-114.2	10.7	-175.4	71.2	-25.6	0	0	0	113.6	Y517 R521 I522 R523 N526 H563 E564	Y517-D519 HydrophobicContact CE1-CB 3.98Å; Y517-D519 WeakPolarHBondContact CE1-OD1 3.37Å; Y517-D519 PolarHBondContact OH-OD2 3.28Å; D519-R521 PolarHBondContact O-N 3.12Å; D519-I522 HydrophobicContact CB-CG1 4.31Å; D519-I522 WeakPolarHBondContact O-CG1 3.43Å; D519-I522 PolarHBondContact O-N 3.42Å; D519-R523 PolarHBondContact O-N 3.06Å; D519-R523 WeakPolarHBondContact OD2-CB 3.37Å; D519-R523 WeakPolarHBondContact OD2-CD 3.47Å; D519-R523 WeakPolarHBondContact OD2-CG 3.3Å; D519-R523 IonicContact OD2-CZ 3.7Å; D519-R523 IonicContact OD2-NE 3.42Å; D519-R523 IonicContact OD2-NH1 3.82Å; D519-R523 PolarHBondContact OD2-NH1 3.01Å; D519-N526 WeakPolarHBondContact OD1-CB 3.48Å; D519-N526 PolarHBondContact OD1-ND2 3.42Å; D519-N526 PolarHBondContact OD2-ND2 3.07Å; D519-H563 VanDerWaalsContact CA-O 3.24Å; D519-H563 WeakPolarHBondContact CA-O 3.36Å; D519-H563 WeakPolarHBondContact CB-O 3.36Å; D519-E564 HydrophobicContact CB-CB 4.47Å; D519-E564 HydrophobicContact CB-CG 4.4Å
520	E	97.7	Very high	97.6	Very high	66 Å²	66	23 Å²	23	31%	0.308	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-13.4	-172.2	-65	-176.1	-168.1	0	0	114.5	N315 I518 P524 S527 T530	N315-E520 PolarHBondContact ND2-N 3.41Å; I518-E520 HydrophobicContact CG1-CG 4.33Å; E520-P524 WeakPolarHBondContact O-CA 3.22Å; E520-P524 WeakPolarHBondContact O-CB 3.45Å; E520-S527 VanDerWaalsContact OE1-CA 3.26Å; E520-S527 WeakPolarHBondContact OE1-CA 3.36Å; E520-S527 WeakPolarHBondContact OE1-CB 3.23Å; E520-T530 PolarHBondContact OE1-OG1 3.31Å
521	R	97	Very high	97.6	Very high	19 Å²	19	26.3 Å²	26.3	7%	0.072	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.6	175.7	-66.1	-74.3	-60.1	161.1	11.1	112.5	R306 D311 I312 S314 N315 D519 F579	R306-R521 PolarHBondContact NE-O 2.96Å; R306-R521 PolarHBondContact NH2-O 3.34Å; D311-R521 IonicContact OD1-CZ 3.24Å; D311-R521 IonicContact OD1-NH1 3.06Å; D311-R521 PolarHBondContact OD1-NH1 3.3Å; D311-R521 IonicContact OD1-NH2 3.71Å; D311-R521 PolarHBondContact OD1-NH2 3.48Å; I312-R521 PolarHBondContact O-NE 3.24Å; I312-R521 PolarHBondContact O-NH2 3.22Å; S314-R521 WeakPolarHBondContact O-CG 3.31Å; N315-R521 HydrophobicContact CB-CG 4.22Å; N315-R521 WeakPolarHBondContact ND2-CG 3.45Å; N315-R521 WeakPolarHBondContact OD1-CG 3.36Å; D519-R521 PolarHBondContact O-N 3.12Å; R521-F579 HydrophobicContact CG-CZ 4.38Å
522	I	97.8	Very high	97.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-26.1	171.6	58.8	147.3	0	0	0	112.6	H287 L290 G313 D519 H563	H287-I522 HydrophobicContact CB-CG2 3.81Å; H287-I522 VanDerWaalsContact ND1-CG2 3.26Å; H287-I522 WeakPolarHBondContact ND1-CG2 3.13Å; L290-I522 PolarHBondContact N-O 3.3Å; G313-I522 WeakPolarHBondContact O-CG2 3.38Å; D519-I522 HydrophobicContact CB-CG1 4.31Å; D519-I522 WeakPolarHBondContact O-CG1 3.43Å; D519-I522 PolarHBondContact O-N 3.42Å; I522-H563 HydrophobicContact CD1-CB 3.56Å; I522-H563 HydrophobicContact CG1-CB 4.02Å; I522-H563 HydrophobicContact CG2-CB 4.43Å
523	R	97.3	Very high	97.4	Very high	57 Å²	57	31.8 Å²	31.8	22%	0.215	16%	0.164	C	C	.	.			trans	-129.5	72.7	177.3	-52.2	-170.7	-161.9	98.8	-3.1	109.8	L290 Y517 D519 W525 N526 E564	L290-R523 HydrophobicContact CB-CG 4.4Å; L290-R523 HydrophobicContact CD1-CG 4.17Å; Y517-R523 PolarHBondContact OH-NH1 3.11Å; D519-R523 PolarHBondContact O-N 3.06Å; D519-R523 WeakPolarHBondContact OD2-CB 3.37Å; D519-R523 WeakPolarHBondContact OD2-CD 3.47Å; D519-R523 WeakPolarHBondContact OD2-CG 3.3Å; D519-R523 IonicContact OD2-CZ 3.7Å; D519-R523 IonicContact OD2-NE 3.42Å; D519-R523 IonicContact OD2-NH1 3.82Å; D519-R523 PolarHBondContact OD2-NH1 3.01Å; R523-W525 HydrophobicContact CB-CD2 4.38Å; R523-W525 HydrophobicContact CB-CH2 4.17Å; R523-W525 HydrophobicContact CB-CZ2 3.86Å; R523-W525 HydrophobicContact CG-CH2 4.35Å; R523-W525 HydrophobicContact CG-CZ2 4.02Å; R523-W525 PolarHBondContact O-N 3.21Å; R523-N526 HydrophobicContact CB-CB 3.96Å; R523-N526 WeakPolarHBondContact O-CB 3.24Å; R523-N526 PolarHBondContact O-N 3.4Å; R523-E564 IonicContact CZ-OE1 2.68Å; R523-E564 IonicContact NH1-OE1 2.62Å; R523-E564 PolarHBondContact NH1-OE1 2.7Å; R523-E564 IonicContact NH2-OE1 3.02Å; R523-E564 PolarHBondContact NH2-OE1 3.49Å
524	P	96.3	Very high	97.3	Very high	14 Å²	14	33.5 Å²	33.5	9%	0.091	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17	-171.8	27.5	-38.3	0	0	0	114.1	I289 W301 P302 E520	I289-P524 HydrophobicContact CG2-CG 3.93Å; W301-P524 HydrophobicContact CB-CG 4.05Å; W301-P524 HydrophobicContact CD2-CB 4.47Å; W301-P524 HydrophobicContact CD2-CG 4.35Å; W301-P524 HydrophobicContact CE3-CB 3.63Å; W301-P524 HydrophobicContact CE3-CG 3.92Å; W301-P524 HydrophobicContact CG-CG 4.43Å; W301-P524 VanDerWaalsContact CH2-O 3.27Å; W301-P524 WeakPolarHBondContact CH2-O 3.39Å; W301-P524 VanDerWaalsContact CZ3-C 3.5Å; W301-P524 HydrophobicContact CZ3-CB 4.02Å; W301-P524 WeakPolarHBondContact CZ3-O 3.48Å; P302-P524 HydrophobicContact CG-CB 4.46Å; P302-P524 HydrophobicContact CG-CG 4.1Å; E520-P524 WeakPolarHBondContact O-CA 3.22Å; E520-P524 WeakPolarHBondContact O-CB 3.45Å
525	W	95.7	Very high	97.1	Very high	40 Å²	40	38.7 Å²	38.7	15%	0.152	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-4	177.5	47	-100.3	0	0	0	114.8	L290 H292 W293 W301 R523	L290-W525 PolarHBondContact O-NE1 3.3Å; L290-W525 VanDerWaalsContact O-NE1 3.07Å; H292-W525 HydrophobicContact CB-CD2 4.36Å; H292-W525 HydrophobicContact CB-CG 4.01Å; H292-W525 AromaticContact CD2-CD2 3.69Å; H292-W525 AromaticContact CD2-CE3 3.93Å; H292-W525 AromaticContact CD2-CG 3.66Å; W293-W525 AromaticContact CE3-CH2 3.8Å; W293-W525 HydrophobicContact CE3-CH2 3.8Å; W293-W525 HydrophobicContact CE3-CZ2 4.33Å; W293-W525 AromaticContact CE3-CZ3 3.98Å; W293-W525 HydrophobicContact CE3-CZ3 3.98Å; W293-W525 HydrophobicContact CH2-CE3 4.36Å; W293-W525 AromaticContact CH2-CZ3 3.97Å; W293-W525 HydrophobicContact CH2-CZ3 3.97Å; W293-W525 AromaticContact CZ3-CE3 3.87Å; W293-W525 HydrophobicContact CZ3-CE3 3.87Å; W293-W525 AromaticContact CZ3-CH2 3.46Å; W293-W525 HydrophobicContact CZ3-CH2 3.46Å; W293-W525 VanDerWaalsContact CZ3-CH2 3.46Å; W293-W525 HydrophobicContact CZ3-CZ2 4.34Å; W293-W525 AromaticContact CZ3-CZ3 3.2Å; W293-W525 HydrophobicContact CZ3-CZ3 3.2Å; W301-W525 HydrophobicContact CD2-CB 3.84Å; W301-W525 VanDerWaalsContact CE2-CB 3.42Å; W301-W525 HydrophobicContact CG-CB 4.1Å; W301-W525 HydrophobicContact CH2-CB 4.44Å; W301-W525 HydrophobicContact CZ2-CB 3.77Å; R523-W525 HydrophobicContact CB-CD2 4.38Å; R523-W525 HydrophobicContact CB-CH2 4.17Å; R523-W525 HydrophobicContact CB-CZ2 3.86Å; R523-W525 HydrophobicContact CG-CH2 4.35Å; R523-W525 HydrophobicContact CG-CZ2 4.02Å; R523-W525 PolarHBondContact O-N 3.21Å
526	N	95.8	Very high	97	Very high	18 Å²	18	38.7 Å²	38.7	10%	0.096	21%	0.206	C	C	.	.			trans	-99.7	26.3	-169.3	-165.5	27.8	0	0	0	114.5	D519 R523 V528 S529	D519-N526 WeakPolarHBondContact OD1-CB 3.48Å; D519-N526 PolarHBondContact OD1-ND2 3.42Å; D519-N526 PolarHBondContact OD2-ND2 3.07Å; R523-N526 HydrophobicContact CB-CB 3.96Å; R523-N526 WeakPolarHBondContact O-CB 3.24Å; R523-N526 PolarHBondContact O-N 3.4Å; N526-V528 PolarHBondContact O-N 3.39Å; N526-S529 PolarHBondContact O-N 3.39Å; N526-S529 WeakPolarHBondContact OD1-CB 3.5Å; N526-S529 PolarHBondContact OD1-OG 2.71Å
527	S	95	Very high	97	Very high	70 Å²	70	44.2 Å²	44.2	49%	0.49	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-59.4	-23	-177.2	61.6	0	0	0	0	114.3	E520 S529 T530	E520-S527 VanDerWaalsContact OE1-CA 3.26Å; E520-S527 WeakPolarHBondContact OE1-CA 3.36Å; E520-S527 WeakPolarHBondContact OE1-CB 3.23Å; S527-S529 PolarHBondContact O-N 3.25Å; S527-T530 VanDerWaalsContact O-CB 3.25Å; S527-T530 WeakPolarHBondContact O-CB 3.43Å; S527-T530 PolarHBondContact O-N 2.81Å; S527-T530 VanDerWaalsContact O-N 3.12Å; S527-T530 PolarHBondContact O-OG1 3.14Å
528	V	95.6	Very high	97	Very high	113 Å²	113	45.2 Å²	45.2	69%	0.685	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-61.8	-30.1	175.3	69.6	0	0	0	0	113	N526 T530 R531	N526-V528 PolarHBondContact O-N 3.39Å; V528-T530 VanDerWaalsContact C-N 3.33Å; V528-R531 PolarHBondContact O-NH1 3.35Å
529	S	96.6	Very high	97	Very high	7 Å²	7	44 Å²	44	5%	0.049	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-84.1	-12.2	179.3	-59	0	0	0	0	112.1	S483 Y517 N526 S527 R531	S483-S529 VanDerWaalsContact CB-O 3.31Å; S483-S529 WeakPolarHBondContact CB-O 3.39Å; S483-S529 PolarHBondContact OG-O 2.94Å; Y517-S529 WeakPolarHBondContact CD1-O 3.48Å; N526-S529 PolarHBondContact O-N 3.39Å; N526-S529 WeakPolarHBondContact OD1-CB 3.5Å; N526-S529 PolarHBondContact OD1-OG 2.71Å; S527-S529 PolarHBondContact O-N 3.25Å; S529-R531 PolarHBondContact O-N 3.4Å
530	T	98.5	Very high	97	Very high	37 Å²	37	46.7 Å²	46.7	23%	0.227	25%	0.245	C	C	.	.			trans	-60.4	131.2	-177.7	-64.4	0	0	0	0	111.2	Y517 I518 E520 S527 V528	Y517-T530 CarbonylContact O-C 3.53Å; Y517-T530 WeakPolarHBondContact O-CA 3.4Å; I518-T530 HydrophobicContact CB-CG2 4.19Å; I518-T530 HydrophobicContact CD1-CG2 4.47Å; I518-T530 HydrophobicContact CG1-CG2 4.16Å; E520-T530 PolarHBondContact OE1-OG1 3.31Å; S527-T530 VanDerWaalsContact O-CB 3.25Å; S527-T530 WeakPolarHBondContact O-CB 3.43Å; S527-T530 PolarHBondContact O-N 2.81Å; S527-T530 VanDerWaalsContact O-N 3.12Å; S527-T530 PolarHBondContact O-OG1 3.14Å; V528-T530 VanDerWaalsContact C-N 3.33Å
531	R	98.3	Very high	97.1	Very high	70 Å²	70	46.6 Å²	46.6	26%	0.264	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-128.2	107.3	170.6	-62.4	-63.1	176.6	-92	-2.6	107.3	S483 T484 G516 Y517 V528 S529 Y538	S483-R531 WeakPolarHBondContact OG-CG 3.27Å; T484-R531 PolarHBondContact O-NE 2.87Å; T484-R531 VanDerWaalsContact O-NE 3.11Å; T484-R531 PolarHBondContact O-NH2 3.28Å; G516-R531 CarbonylContact C-O 3.54Å; G516-R531 VanDerWaalsContact CA-O 3.24Å; G516-R531 WeakPolarHBondContact CA-O 2.99Å; Y517-R531 PolarHBondContact N-O 2.93Å; Y517-R531 PolarHBondContact O-N 2.79Å; V528-R531 PolarHBondContact O-NH1 3.35Å; S529-R531 PolarHBondContact O-N 3.4Å; R531-Y538 HydrophobicContact CB-CD2 4.31Å; R531-Y538 HydrophobicContact CB-CE1 4.15Å; R531-Y538 HydrophobicContact CB-CE2 3.84Å; R531-Y538 HydrophobicContact CG-CE2 3.98Å
532	D	96.9	Very high	97.1	Very high	111 Å²	111	45.8 Å²	45.8	59%	0.594	25%	0.249	S	C	*	.			trans	-59.9	142.1	175.8	-175.5	-103.5	0	0	0	109.9	A534 Y538	D532-A534 PolarHBondContact O-N 2.84Å; D532-A534 WeakPolarHBondContact OD1-CA 3.47Å; D532-A534 PolarHBondContact OD1-N 3.37Å; D532-Y538 WeakPolarHBondContact O-CB 3.41Å
533	R	97.5	Very high	97.2	Very high	6 Å²	6	45.8 Å²	45.8	2%	0.023	25%	0.248	C	C	.	.			trans	-70.5	-17.3	-177.9	-50.5	-169.3	171.8	-162.3	-3.3	112.7	Y316 P515 N535 G536 I537 Y538 G565 Q567 Y584 Y592	Y316-R533 WeakPolarHBondContact OH-CD 3.15Å; Y316-R533 WeakPolarHBondContact OH-CG 3.48Å; Y316-R533 PolarHBondContact OH-NE 3.42Å; P515-R533 VanDerWaalsContact O-CA 3.31Å; P515-R533 WeakPolarHBondContact O-CA 3.18Å; P515-R533 VanDerWaalsContact O-CB 3.26Å; P515-R533 WeakPolarHBondContact O-CB 3.24Å; P515-R533 VanDerWaalsContact O-CG 3.28Å; P515-R533 WeakPolarHBondContact O-CG 3.26Å; R533-N535 PolarHBondContact O-N 3.39Å; R533-G536 WeakPolarHBondContact O-CA 3.21Å; R533-G536 PolarHBondContact O-N 3.32Å; R533-I537 PolarHBondContact O-N 3.4Å; R533-Y538 PolarHBondContact O-N 2.85Å; R533-G565 PolarHBondContact NH2-O 3.05Å; R533-Q567 VanDerWaalsContact CZ-O 3.32Å; R533-Q567 PolarHBondContact NH1-O 2.8Å; R533-Q567 VanDerWaalsContact NH2-CD 3.27Å; R533-Q567 PolarHBondContact NH2-O 3.47Å; R533-Y584 VanDerWaalsContact NH1-CZ 3.28Å; R533-Y584 PolarHBondContact NH1-OH 3.38Å; R533-Y592 WeakPolarHBondContact CB-OH 3.47Å; R533-Y592 VanDerWaalsContact CD-CZ 3.5Å; R533-Y592 VanDerWaalsContact CD-OH 3.24Å; R533-Y592 WeakPolarHBondContact CD-OH 3.24Å; R533-Y592 VanDerWaalsContact NH1-CE2 3.33Å
534	A	95.8	Very high	97.2	Very high	36 Å²	36	45.1 Å²	45.1	30%	0.298	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	47.8	47.1	179.2	0	0	0	0	0	112	D532 G536 I537	D532-A534 PolarHBondContact O-N 2.84Å; D532-A534 WeakPolarHBondContact OD1-CA 3.47Å; D532-A534 PolarHBondContact OD1-N 3.37Å; A534-G536 PolarHBondContact O-N 3.26Å; A534-I537 HydrophobicContact CB-CB 4.07Å; A534-I537 WeakPolarHBondContact O-CB 3.21Å; A534-I537 WeakPolarHBondContact O-CD1 3.4Å; A534-I537 VanDerWaalsContact O-CG1 3.28Å; A534-I537 WeakPolarHBondContact O-CG1 3.36Å; A534-I537 PolarHBondContact O-N 3.46Å; A534-I537 VanDerWaalsContact O-N 3.08Å
535	N	94.6	Very high	97.3	Very high	108 Å²	108	45.6 Å²	45.6	58%	0.578	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	50.9	37	-175.5	-61.3	-36.2	0	0	0	114.3	R533 M587	R533-N535 PolarHBondContact O-N 3.39Å; N535-M587 HydrophobicContact CB-CE 3.77Å; N535-M587 HydrophobicContact CB-SD 4.04Å
536	G	96.9	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	97.3	-13.8	178.6	0	0	0	0	0	114.8	R533 A534 Y538 Y539 E540 Y592	R533-G536 WeakPolarHBondContact O-CA 3.21Å; R533-G536 PolarHBondContact O-N 3.32Å; A534-G536 PolarHBondContact O-N 3.26Å; G536-Y538 VanDerWaalsContact C-N 3.31Å; G536-Y538 PolarHBondContact O-N 3.32Å; G536-Y539 WeakPolarHBondContact O-CB 3.36Å; G536-Y539 PolarHBondContact O-N 3.19Å; G536-Y539 VanDerWaalsContact O-N 3.16Å; G536-E540 WeakPolarHBondContact O-CG 3.49Å; G536-E540 PolarHBondContact O-N 3.49Å; G536-Y592 PolarHBondContact N-OH 3.04Å
537	I	98	Very high	97.6	Very high	117 Å²	117	44.2 Å²	44.2	60%	0.6	25%	0.248	S	C	*	.	H	α-helix	trans	-59.6	-42.5	-178.4	-66.4	169.2	0	0	0	111.3	R533 A534 Y539 E540 S541	R533-I537 PolarHBondContact O-N 3.4Å; A534-I537 HydrophobicContact CB-CB 4.07Å; A534-I537 WeakPolarHBondContact O-CB 3.21Å; A534-I537 WeakPolarHBondContact O-CD1 3.4Å; A534-I537 VanDerWaalsContact O-CG1 3.28Å; A534-I537 WeakPolarHBondContact O-CG1 3.36Å; A534-I537 PolarHBondContact O-N 3.46Å; A534-I537 VanDerWaalsContact O-N 3.08Å; I537-Y539 VanDerWaalsContact C-N 3.34Å; I537-Y539 PolarHBondContact O-N 3.3Å; I537-E540 PolarHBondContact O-N 2.84Å; I537-S541 WeakPolarHBondContact O-CB 3.13Å; I537-S541 PolarHBondContact O-N 3.43Å
538	Y	98.6	Very high	97.6	Very high	35 Å²	35	48.2 Å²	48.2	14%	0.137	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-47.1	178.3	-178	-94.6	0	0	0	111.1	A482 T484 R531 D532 R533 G536 S541 M542	A482-Y538 WeakPolarHBondContact O-CE1 3.48Å; A482-Y538 PolarHBondContact O-OH 3.21Å; T484-Y538 WeakPolarHBondContact CB-OH 3.42Å; T484-Y538 PolarHBondContact N-OH 2.83Å; T484-Y538 PolarHBondContact OG1-OH 2.79Å; R531-Y538 HydrophobicContact CB-CD2 4.31Å; R531-Y538 HydrophobicContact CB-CE1 4.15Å; R531-Y538 HydrophobicContact CB-CE2 3.84Å; R531-Y538 HydrophobicContact CG-CE2 3.98Å; D532-Y538 WeakPolarHBondContact O-CB 3.41Å; R533-Y538 PolarHBondContact O-N 2.85Å; G536-Y538 VanDerWaalsContact C-N 3.31Å; G536-Y538 PolarHBondContact O-N 3.32Å; Y538-S541 WeakPolarHBondContact O-CB 3.46Å; Y538-S541 PolarHBondContact O-N 3.32Å; Y538-M542 HydrophobicContact CD1-CG 4.45Å; Y538-M542 HydrophobicContact CD1-SD 4.16Å; Y538-M542 HydrophobicContact CE1-CG 4.02Å; Y538-M542 HydrophobicContact CE1-SD 3.37Å; Y538-M542 WeakPolarHBondContact CE1-SD 3.23Å; Y538-M542 PolarHBondContact O-N 3.4Å; Y538-M542 VanDerWaalsContact O-N 3.09Å
539	Y	98.8	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-47.6	179.7	-168.1	-143.6	0	0	0	112.4	V513 G514 P515 G536 I537 S541 M542 W543 I568 Y592 L595 T596	V513-Y539 HydrophobicContact CB-CE2 4.12Å; V513-Y539 HydrophobicContact CG2-CE2 3.79Å; G514-Y539 VanDerWaalsContact C-CD2 3.41Å; G514-Y539 WeakPolarHBondContact O-CD2 3.45Å; P515-Y539 HydrophobicContact CB-CD2 4.37Å; P515-Y539 HydrophobicContact CB-CG 4.29Å; G536-Y539 WeakPolarHBondContact O-CB 3.36Å; G536-Y539 PolarHBondContact O-N 3.19Å; G536-Y539 VanDerWaalsContact O-N 3.16Å; I537-Y539 VanDerWaalsContact C-N 3.34Å; I537-Y539 PolarHBondContact O-N 3.3Å; Y539-S541 VanDerWaalsContact C-N 3.28Å; Y539-S541 PolarHBondContact O-N 2.85Å; Y539-M542 PolarHBondContact O-N 3.01Å; Y539-W543 AromaticContact CD2-CD1 3.79Å; Y539-W543 AromaticContact CD2-NE1 3.94Å; Y539-W543 AromaticContact CE1-CD1 3.97Å; Y539-W543 AromaticContact CE1-NE1 3.54Å; Y539-W543 AromaticContact CE2-CD1 3.61Å; Y539-W543 AromaticContact CE2-NE1 3.27Å; Y539-W543 VanDerWaalsContact CE2-NE1 3.27Å; Y539-W543 AromaticContact CZ-CD1 3.7Å; Y539-W543 AromaticContact CZ-NE1 3.03Å; Y539-W543 PolarHBondContact O-N 3.21Å; Y539-W543 PolarHBondContact OH-NE1 3.05Å; Y539-W543 VanDerWaalsContact OH-NE1 3.08Å; Y539-I568 HydrophobicContact CE1-CG2 4.3Å; Y539-Y592 AromaticContact CD1-CD1 3.78Å; Y539-Y592 HydrophobicContact CD1-CD1 3.78Å; Y539-Y592 HydrophobicContact CD1-CE1 4.27Å; Y539-Y592 HydrophobicContact CE1-CD1 4.26Å; Y539-Y592 HydrophobicContact CG-CD1 4.38Å; Y539-L595 HydrophobicContact CD1-CB 4.38Å; Y539-T596 WeakPolarHBondContact CE1-OG1 3.2Å; Y539-T596 PolarHBondContact OH-OG1 3.36Å
540	E	98.7	Very high	97.1	Very high	56 Å²	56	49.1 Å²	49.1	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-38.9	176.9	-71.6	179.4	-160.5	0	0	111.8	G536 I537 W543 N544 L595 R598	G536-E540 WeakPolarHBondContact O-CG 3.49Å; G536-E540 PolarHBondContact O-N 3.49Å; I537-E540 PolarHBondContact O-N 2.84Å; E540-W543 PolarHBondContact O-N 3.42Å; E540-N544 WeakPolarHBondContact O-CB 3.24Å; E540-N544 PolarHBondContact O-N 3.24Å; E540-N544 PolarHBondContact O-ND2 2.67Å; E540-L595 WeakPolarHBondContact OE1-CD2 3.28Å; E540-R598 IonicContact OE1-CZ 3.39Å; E540-R598 IonicContact OE1-NH1 3.38Å; E540-R598 IonicContact OE1-NH2 3.88Å; E540-R598 PolarHBondContact OE1-NH2 3.08Å; E540-R598 IonicContact OE2-NH2 3.4Å; E540-R598 PolarHBondContact OE2-NH2 3.07Å
541	S	98.7	Very high	96.8	Very high	64 Å²	64	48.4 Å²	48.4	45%	0.448	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-42.6	176.2	-174.8	0	0	0	0	112.2	I537 Y538 Y539 N544 S545	I537-S541 WeakPolarHBondContact O-CB 3.13Å; I537-S541 PolarHBondContact O-N 3.43Å; Y538-S541 WeakPolarHBondContact O-CB 3.46Å; Y538-S541 PolarHBondContact O-N 3.32Å; Y539-S541 VanDerWaalsContact C-N 3.28Å; Y539-S541 PolarHBondContact O-N 2.85Å; S541-N544 PolarHBondContact O-N 2.94Å; S541-S545 PolarHBondContact O-N 3.49Å; S541-S545 PolarHBondContact O-OG 3.45Å
542	M	98.7	Very high	96.7	Very high	2 Å²	2	47 Å²	47	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-46.5	174.8	-66.5	-168.1	79.7	0	0	111.2	T492 W495 S512 V513 G514 Y538 Y539 N544 S545 A546	T492-M542 HydrophobicContact CG2-CE 4.48Å; T492-M542 HydrophobicContact CG2-CG 4.41Å; W495-M542 HydrophobicContact CH2-CE 4.07Å; W495-M542 HydrophobicContact CZ2-CE 4.23Å; W495-M542 WeakPolarHBondContact CZ3-O 3.45Å; S512-M542 WeakPolarHBondContact O-CE 3.29Å; V513-M542 HydrophobicContact CB-CB 3.98Å; V513-M542 HydrophobicContact CG1-CB 3.89Å; G514-M542 PolarHBondContact N-SD 3.01Å; G514-M542 VanDerWaalsContact N-SD 3.38Å; Y538-M542 HydrophobicContact CD1-CG 4.45Å; Y538-M542 HydrophobicContact CD1-SD 4.16Å; Y538-M542 HydrophobicContact CE1-CG 4.02Å; Y538-M542 HydrophobicContact CE1-SD 3.37Å; Y538-M542 WeakPolarHBondContact CE1-SD 3.23Å; Y538-M542 PolarHBondContact O-N 3.4Å; Y538-M542 VanDerWaalsContact O-N 3.09Å; Y539-M542 PolarHBondContact O-N 3.01Å; M542-N544 PolarHBondContact O-N 3.27Å; M542-S545 WeakPolarHBondContact O-CB 3.48Å; M542-S545 PolarHBondContact O-N 3.39Å; M542-S545 VanDerWaalsContact O-N 3.12Å; M542-A546 PolarHBondContact O-N 2.62Å
543	W	98.7	Very high	96.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.9	-47.4	174	-88.7	102.7	0	0	0	112.5	V265 V513 Y539 E540 S545 A546 L547 I554 I556 T596 M599 I600	V265-W543 HydrophobicContact CG1-CH2 3.88Å; V265-W543 HydrophobicContact CG2-CH2 4.37Å; V513-W543 HydrophobicContact CG1-CD2 4.46Å; V513-W543 HydrophobicContact CG1-CG 4.34Å; V513-W543 HydrophobicContact CG2-CD2 4.08Å; V513-W543 HydrophobicContact CG2-CG 4.31Å; V513-W543 HydrophobicContact CG2-CZ2 3.93Å; Y539-W543 AromaticContact CD2-CD1 3.79Å; Y539-W543 AromaticContact CD2-NE1 3.94Å; Y539-W543 AromaticContact CE1-CD1 3.97Å; Y539-W543 AromaticContact CE1-NE1 3.54Å; Y539-W543 AromaticContact CE2-CD1 3.61Å; Y539-W543 AromaticContact CE2-NE1 3.27Å; Y539-W543 VanDerWaalsContact CE2-NE1 3.27Å; Y539-W543 AromaticContact CZ-CD1 3.7Å; Y539-W543 AromaticContact CZ-NE1 3.03Å; Y539-W543 PolarHBondContact O-N 3.21Å; Y539-W543 PolarHBondContact OH-NE1 3.05Å; Y539-W543 VanDerWaalsContact OH-NE1 3.08Å; E540-W543 PolarHBondContact O-N 3.42Å; W543-S545 PolarHBondContact O-N 3.25Å; W543-A546 PolarHBondContact O-N 2.9Å; W543-A546 VanDerWaalsContact O-N 3.13Å; W543-L547 VanDerWaalsContact O-CG 3.25Å; W543-L547 WeakPolarHBondContact O-CG 3.46Å; W543-L547 PolarHBondContact O-N 3.48Å; W543-I554 HydrophobicContact CE3-CD1 4.09Å; W543-I554 HydrophobicContact CE3-CG2 4.1Å; W543-I554 HydrophobicContact CH2-CB 4.41Å; W543-I554 HydrophobicContact CH2-CG2 3.76Å; W543-I554 HydrophobicContact CZ2-CG2 4.4Å; W543-I554 HydrophobicContact CZ3-CB 4.16Å; W543-I554 HydrophobicContact CZ3-CD1 3.76Å; W543-I554 HydrophobicContact CZ3-CG2 3.61Å; W543-I556 HydrophobicContact CZ2-CD1 4.04Å; W543-I556 HydrophobicContact CZ2-CG1 4.06Å; W543-T596 HydrophobicContact CZ2-CG2 4.21Å; W543-M599 HydrophobicContact CB-CB 4.23Å; W543-M599 HydrophobicContact CB-CE 3.4Å; W543-M599 HydrophobicContact CB-CG 3.93Å; W543-M599 HydrophobicContact CB-SD 4.44Å; W543-M599 HydrophobicContact CD2-CB 3.49Å; W543-M599 VanDerWaalsContact CD2-CB 3.49Å; W543-M599 HydrophobicContact CD2-CG 4.02Å; W543-M599 HydrophobicContact CE3-CB 3.78Å; W543-M599 HydrophobicContact CG-CB 3.71Å; W543-M599 HydrophobicContact CG-CE 4.17Å; W543-M599 HydrophobicContact CG-CG 3.66Å; W543-M599 HydrophobicContact CZ2-CB 4.43Å; W543-M599 HydrophobicContact CZ3-CB 4.35Å; W543-I600 HydrophobicContact CH2-CG1 3.86Å; W543-I600 HydrophobicContact CZ2-CG1 4.42Å; W543-I600 HydrophobicContact CZ3-CG1 4.49Å
544	N	98.4	Very high	96.8	Very high	44 Å²	44	41.6 Å²	41.6	24%	0.235	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-33.8	178	-73.3	-36	0	0	0	112.3	E540 S541 M542 Q548 R602	E540-N544 WeakPolarHBondContact O-CB 3.24Å; E540-N544 PolarHBondContact O-N 3.24Å; E540-N544 PolarHBondContact O-ND2 2.67Å; S541-N544 PolarHBondContact O-N 2.94Å; M542-N544 PolarHBondContact O-N 3.27Å; N544-Q548 WeakPolarHBondContact O-CG 3.37Å; N544-Q548 PolarHBondContact O-NE2 3.45Å; N544-R602 PolarHBondContact OD1-NH1 3.38Å; N544-R602 PolarHBondContact OD1-NH2 2.8Å
545	S	98.5	Very high	97	Very high	23 Å²	23	39.9 Å²	39.9	16%	0.161	21%	0.213	C	C	.	.	H	α-helix	trans	-70.2	-46.1	174.9	-53.6	0	0	0	0	111	S541 M542 W543 L547 Q548	S541-S545 PolarHBondContact O-N 3.49Å; S541-S545 PolarHBondContact O-OG 3.45Å; M542-S545 WeakPolarHBondContact O-CB 3.48Å; M542-S545 PolarHBondContact O-N 3.39Å; M542-S545 VanDerWaalsContact O-N 3.12Å; W543-S545 PolarHBondContact O-N 3.25Å; S545-L547 VanDerWaalsContact C-N 3.33Å; S545-L547 PolarHBondContact O-N 2.97Å; S545-Q548 PolarHBondContact O-N 3.44Å; S545-Q548 VanDerWaalsContact O-N 3.16Å
546	A	98.5	Very high	97.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-43.1	177	0	0	0	0	0	111.8	W495 F511 V513 M542 W543 Q548 T549 I554	W495-A546 HydrophobicContact CE3-CB 4.26Å; W495-A546 HydrophobicContact CZ3-CB 3.72Å; F511-A546 HydrophobicContact CB-CB 4.34Å; V513-A546 HydrophobicContact CG1-CB 4.05Å; M542-A546 PolarHBondContact O-N 2.62Å; W543-A546 PolarHBondContact O-N 2.9Å; W543-A546 VanDerWaalsContact O-N 3.13Å; A546-Q548 PolarHBondContact O-N 3.19Å; A546-Q548 VanDerWaalsContact O-N 3.08Å; A546-T549 PolarHBondContact O-N 2.96Å; A546-T549 PolarHBondContact O-OG1 3.46Å; A546-I554 HydrophobicContact CB-CD1 3.76Å; A546-I554 HydrophobicContact CB-CG1 4.13Å; A546-I554 HydrophobicContact CB-CG2 4.35Å
547	L	97.3	Very high	97.3	Very high	29 Å²	29	34.8 Å²	34.8	15%	0.152	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.1	179.2	-68.7	177.7	0	0	0	114.1	W543 S545 I554 M599 R602 K603 L606	W543-L547 VanDerWaalsContact O-CG 3.25Å; W543-L547 WeakPolarHBondContact O-CG 3.46Å; W543-L547 PolarHBondContact O-N 3.48Å; S545-L547 VanDerWaalsContact C-N 3.33Å; S545-L547 PolarHBondContact O-N 2.97Å; L547-I554 HydrophobicContact CD2-CD1 4.04Å; L547-M599 HydrophobicContact CD1-CE 3.98Å; L547-R602 HydrophobicContact CD1-CG 4.25Å; L547-K603 HydrophobicContact CD2-CB 3.55Å; L547-K603 HydrophobicContact CD2-CG 3.77Å; L547-L606 HydrophobicContact CB-CD1 4.34Å; L547-L606 HydrophobicContact CD1-CD1 4.23Å
548	Q	96.2	Very high	97.3	Very high	154 Å²	154	29.2 Å²	29.2	72%	0.72	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.2	177.3	-70.3	169.4	56.9	0	0	113.5	N544 S545 A546	N544-Q548 WeakPolarHBondContact O-CG 3.37Å; N544-Q548 PolarHBondContact O-NE2 3.45Å; S545-Q548 PolarHBondContact O-N 3.44Å; S545-Q548 VanDerWaalsContact O-N 3.16Å; A546-Q548 PolarHBondContact O-N 3.19Å; A546-Q548 VanDerWaalsContact O-N 3.08Å
549	T	93.8	Very high	97.3	Very high	17 Å²	17	27.5 Å²	27.5	10%	0.104	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-13.4	-171.8	63.8	0	0	0	0	114.8	W495 A499 F511 A546 S551	W495-T549 HydrophobicContact CB-CG2 3.7Å; A499-T549 HydrophobicContact CB-CG2 4.24Å; A499-T549 WeakPolarHBondContact CB-O 3.47Å; F511-T549 HydrophobicContact CD2-CG2 3.95Å; F511-T549 WeakPolarHBondContact CD2-OG1 3.29Å; F511-T549 HydrophobicContact CE2-CG2 3.73Å; F511-T549 WeakPolarHBondContact CE2-OG1 3.38Å; F511-T549 HydrophobicContact CZ-CG2 4.24Å; A546-T549 PolarHBondContact O-N 2.96Å; A546-T549 PolarHBondContact O-OG1 3.46Å; T549-S551 PolarHBondContact O-N 2.94Å; T549-S551 WeakPolarHBondContact OG1-CB 3.28Å; T549-S551 PolarHBondContact OG1-N 2.65Å; T549-S551 PolarHBondContact OG1-OG 2.86Å
550	D	87.5	Confident	97.3	Very high	122 Å²	122	27.5 Å²	27.5	65%	0.652	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.8	-168.6	-152.2	34.8	0	0	0	113.6	K610	D550-K610 IonicContact OD1-NZ 3.37Å; D550-K610 PolarHBondContact OD1-NZ 2.83Å; D550-K610 IonicContact OD2-NZ 2.68Å; D550-K610 PolarHBondContact OD2-NZ 3.08Å
551	S	92.8	Very high	97.3	Very high	21 Å²	21	25.2 Å²	25.2	15%	0.147	14%	0.14	C	C	.	.			trans	-64.6	152.1	-178.8	64.5	0	0	0	0	112.9	F511 T549 F553	F511-S551 VanDerWaalsContact CD2-CB 3.49Å; T549-S551 PolarHBondContact O-N 2.94Å; T549-S551 WeakPolarHBondContact OG1-CB 3.28Å; T549-S551 PolarHBondContact OG1-N 2.65Å; T549-S551 PolarHBondContact OG1-OG 2.86Å; S551-F553 WeakPolarHBondContact CB-O 3.45Å; S551-F553 PolarHBondContact OG-O 3.46Å
552	T	95.3	Very high	97.3	Very high	41 Å²	41	22.1 Å²	22.1	25%	0.252	12%	0.119	S	C	.	.	S	Bend	trans	-64.2	-47.3	177.8	-45.1	0	0	0	0	110.9	Y416 I508 A509	Y416-T552 HydrophobicContact CE1-CG2 4.3Å; Y416-T552 HydrophobicContact CE2-CG2 4.08Å; Y416-T552 WeakPolarHBondContact OH-CG2 3.46Å; I508-T552 HydrophobicContact CG1-CG2 4.38Å; I508-T552 HydrophobicContact CG2-CG2 4.1Å; A509-T552 PolarHBondContact O-N 3.41Å
553	F	98.6	Very high	97.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.9	177.5	-52.7	-41.5	0	0	0	110.5	D264 H266 Y416 L457 I508 A509 S510 F511 S551	D264-F553 HydrophobicContact CB-CD1 4.03Å; D264-F553 VanDerWaalsContact O-CA 3.29Å; D264-F553 WeakPolarHBondContact O-CA 3.45Å; H266-F553 AromaticContact CE1-CD1 3.97Å; H266-F553 AromaticContact CE1-CD2 3.8Å; H266-F553 AromaticContact CE1-CE2 3.96Å; H266-F553 AromaticContact CE1-CG 3.82Å; H266-F553 AromaticContact NE2-CD1 3.92Å; Y416-F553 HydrophobicContact CD1-CZ 4.09Å; Y416-F553 AromaticContact CD2-CE1 3.55Å; Y416-F553 HydrophobicContact CD2-CE1 3.55Å; Y416-F553 AromaticContact CD2-CZ 3.51Å; Y416-F553 HydrophobicContact CD2-CZ 3.51Å; Y416-F553 HydrophobicContact CE1-CZ 4.41Å; Y416-F553 AromaticContact CE2-CE1 3.62Å; Y416-F553 HydrophobicContact CE2-CE1 3.62Å; Y416-F553 AromaticContact CE2-CZ 3.84Å; Y416-F553 HydrophobicContact CE2-CZ 3.84Å; Y416-F553 HydrophobicContact CG-CE1 4.19Å; Y416-F553 AromaticContact CG-CZ 3.66Å; Y416-F553 HydrophobicContact CG-CZ 3.66Å; L457-F553 HydrophobicContact CD1-CD2 4.18Å; L457-F553 HydrophobicContact CD1-CE2 4.21Å; I508-F553 HydrophobicContact CG2-CD2 3.68Å; I508-F553 HydrophobicContact CG2-CE2 3.45Å; I508-F553 VanDerWaalsContact CG2-CE2 3.45Å; I508-F553 HydrophobicContact CG2-CZ 4.21Å; A509-F553 PolarHBondContact O-N 3.05Å; S510-F553 WeakPolarHBondContact CA-O 3.21Å; F511-F553 PolarHBondContact N-O 3.2Å; S551-F553 WeakPolarHBondContact CB-O 3.45Å; S551-F553 PolarHBondContact OG-O 3.46Å
554	I	98.8	Very high	97.3	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.015	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.7	159.4	-62.8	-179.4	0	0	0	106.6	D264 V265 H266 V513 W543 A546 L547 K603	D264-I554 PolarHBondContact O-N 3.43Å; D264-I554 VanDerWaalsContact O-N 3.14Å; V265-I554 CarbonylContact C-O 3.54Å; V265-I554 WeakPolarHBondContact CA-O 3.42Å; H266-I554 PolarHBondContact N-O 3.17Å; V513-I554 HydrophobicContact CG1-CG2 4.25Å; V513-I554 HydrophobicContact CG2-CG2 4.15Å; W543-I554 HydrophobicContact CE3-CD1 4.09Å; W543-I554 HydrophobicContact CE3-CG2 4.1Å; W543-I554 HydrophobicContact CH2-CB 4.41Å; W543-I554 HydrophobicContact CH2-CG2 3.76Å; W543-I554 HydrophobicContact CZ2-CG2 4.4Å; W543-I554 HydrophobicContact CZ3-CB 4.16Å; W543-I554 HydrophobicContact CZ3-CD1 3.76Å; W543-I554 HydrophobicContact CZ3-CG2 3.61Å; A546-I554 HydrophobicContact CB-CD1 3.76Å; A546-I554 HydrophobicContact CB-CG1 4.13Å; A546-I554 HydrophobicContact CB-CG2 4.35Å; L547-I554 HydrophobicContact CD2-CD1 4.04Å; I554-K603 HydrophobicContact CD1-CD 4.1Å
555	S	98.9	Very high	97.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	152.8	176.9	35.6	0	0	0	0	110.9	H266 S510 F511 S512 V513	H266-S555 CarbonylContact O-C 3.5Å; H266-S555 WeakPolarHBondContact O-CA 3.46Å; S510-S555 WeakPolarHBondContact OG-CB 3.28Å; S510-S555 PolarHBondContact OG-OG 3.17Å; F511-S555 PolarHBondContact O-N 2.83Å; S512-S555 CarbonylContact C-O 3.56Å; S512-S555 WeakPolarHBondContact CA-O 3.29Å; S512-S555 WeakPolarHBondContact CA-OG 3.45Å; S512-S555 PolarHBondContact N-OG 3.43Å; S512-S555 WeakPolarHBondContact OG-CB 3.04Å; S512-S555 PolarHBondContact OG-OG 3.4Å; V513-S555 WeakPolarHBondContact CG2-O 3.27Å; V513-S555 PolarHBondContact N-O 3.3Å
556	I	99	Very high	97.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119	175.8	-58.4	166.5	0	0	0	107.2	V265 H266 A267 F268 I343 V513 W543 S558 I568 T596	V265-I556 HydrophobicContact CG1-CD1 4.17Å; H266-I556 PolarHBondContact O-N 3.31Å; A267-I556 HydrophobicContact CB-CB 4.16Å; A267-I556 HydrophobicContact CB-CD1 4.42Å; F268-I556 VanDerWaalsContact CD2-O 3.32Å; F268-I556 WeakPolarHBondContact CD2-O 3.27Å; F268-I556 PolarHBondContact N-O 3.13Å; I343-I556 HydrophobicContact CD1-CD1 3.73Å; I343-I556 HydrophobicContact CG1-CD1 3.84Å; V513-I556 HydrophobicContact CG2-CG1 4.03Å; V513-I556 CarbonylContact O-C 3.52Å; V513-I556 WeakPolarHBondContact O-CA 3.31Å; W543-I556 HydrophobicContact CZ2-CD1 4.04Å; W543-I556 HydrophobicContact CZ2-CG1 4.06Å; I556-S558 WeakPolarHBondContact O-CA 3.2Å; I556-I568 HydrophobicContact CD1-CD1 4.35Å; I556-I568 HydrophobicContact CG2-CD1 4.24Å; I556-I568 HydrophobicContact CG2-CG1 4.43Å; I556-I568 HydrophobicContact CG2-CG2 4.03Å; I556-T596 HydrophobicContact CD1-CG2 3.61Å
557	T	98.8	Very high	97.3	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.105	C	C	.	.	S	Bend	trans	-103.3	93.6	168.7	-57.1	0	0	0	0	107.1	F268 Y480 S512 V513 G514 T566	F268-T557 WeakPolarHBondContact CD2-OG1 3.21Å; F268-T557 WeakPolarHBondContact CE2-OG1 3.27Å; Y480-T557 HydrophobicContact CD1-CG2 4.31Å; Y480-T557 HydrophobicContact CD2-CG2 4.11Å; Y480-T557 HydrophobicContact CE1-CG2 4.01Å; Y480-T557 HydrophobicContact CE2-CG2 3.8Å; Y480-T557 HydrophobicContact CG-CG2 4.35Å; Y480-T557 VanDerWaalsContact O-CB 3.24Å; Y480-T557 WeakPolarHBondContact O-CB 3.26Å; Y480-T557 WeakPolarHBondContact O-CG2 3.09Å; Y480-T557 PolarHBondContact O-OG1 3.03Å; S512-T557 WeakPolarHBondContact CB-OG1 3.27Å; V513-T557 PolarHBondContact O-N 2.96Å; G514-T557 WeakPolarHBondContact CA-O 3.22Å; T557-T566 CarbonylContact C-O 3.52Å; T557-T566 WeakPolarHBondContact O-CB 3.43Å
558	S	98.9	Very high	97.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.			cis	-145.6	174.9	3.7	60.2	0	0	0	0	110.4	I556 E561 T566 Q567 I568	I556-S558 WeakPolarHBondContact O-CA 3.2Å; S558-E561 WeakPolarHBondContact OG-CA 3.42Å; S558-E561 WeakPolarHBondContact OG-CB 3.44Å; S558-E561 PolarHBondContact OG-N 3.48Å; S558-T566 PolarHBondContact N-O 3.49Å; S558-T566 PolarHBondContact OG-OG1 3Å; S558-Q567 CarbonylContact O-C 3.56Å; S558-Q567 WeakPolarHBondContact O-CA 3.36Å; S558-I568 PolarHBondContact O-N 2.62Å
559	F	98.9	Very high	97.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-65.7	-55	165.7	-176.8	-98.4	0	0	0	110.7	A267 F268 Y269 H334 W337 M338 Q567 I568 E569 L593	A267-F559 HydrophobicContact CB-CB 4.37Å; F268-F559 WeakPolarHBondContact O-CB 3.2Å; F268-F559 PolarHBondContact O-N 3.34Å; Y269-F559 HydrophobicContact CD2-CB 4.32Å; Y269-F559 AromaticContact CD2-CD1 3.64Å; Y269-F559 HydrophobicContact CD2-CD1 3.64Å; Y269-F559 HydrophobicContact CD2-CE1 4.42Å; Y269-F559 HydrophobicContact CD2-CG 4.32Å; Y269-F559 AromaticContact CE2-CD1 3.84Å; Y269-F559 HydrophobicContact CE2-CD1 3.84Å; Y269-F559 HydrophobicContact CE2-CE1 4.21Å; H334-F559 HydrophobicContact CB-CE1 3.62Å; H334-F559 HydrophobicContact CB-CZ 3.93Å; H334-F559 AromaticContact CD2-CE1 3.65Å; H334-F559 AromaticContact CG-CE1 3.46Å; H334-F559 VanDerWaalsContact CG-CE1 3.46Å; H334-F559 AromaticContact ND1-CE1 3.88Å; W337-F559 HydrophobicContact CB-CE2 4.08Å; W337-F559 HydrophobicContact CB-CZ 4.03Å; W337-F559 HydrophobicContact CE3-CZ 4.05Å; M338-F559 HydrophobicContact CG-CD2 3.39Å; M338-F559 HydrophobicContact CG-CE2 3.46Å; M338-F559 VanDerWaalsContact CG-CE2 3.46Å; M338-F559 HydrophobicContact CG-CG 4.07Å; M338-F559 HydrophobicContact CG-CZ 4.21Å; M338-F559 HydrophobicContact SD-CB 4.32Å; M338-F559 HydrophobicContact SD-CD2 3.91Å; M338-F559 HydrophobicContact SD-CE2 4.39Å; M338-F559 HydrophobicContact SD-CG 3.99Å; F559-Q567 WeakPolarHBondContact O-CA 3.39Å; F559-Q567 VanDerWaalsContact O-CB 3.29Å; F559-Q567 WeakPolarHBondContact O-CB 3.21Å; F559-I568 HydrophobicContact CD2-CD1 4.22Å; F559-I568 HydrophobicContact CD2-CG1 4.01Å; F559-I568 PolarHBondContact O-N 2.99Å; F559-I568 VanDerWaalsContact O-N 3.11Å; F559-E569 HydrophobicContact CE1-CB 4.27Å; F559-E569 HydrophobicContact CE1-CG 4.14Å; F559-E569 HydrophobicContact CZ-CB 4.43Å; F559-E569 HydrophobicContact CZ-CG 4.29Å; F559-E569 VanDerWaalsContact O-CB 3.29Å; F559-E569 WeakPolarHBondContact O-CB 3.14Å; F559-E569 PolarHBondContact O-N 2.81Å; F559-L593 HydrophobicContact CE2-CD2 4.23Å
560	N	98.8	Very high	97.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-143.9	32.6	-169.7	71.9	-33.2	0	0	0	115.5	Y269 Y270 Y273 Y323 W562 E569	Y269-N560 WeakPolarHBondContact CD2-OD1 3.15Å; Y270-N560 PolarHBondContact N-OD1 3.17Å; Y270-N560 PolarHBondContact O-ND2 2.88Å; Y273-N560 VanDerWaalsContact CE2-O 3.3Å; Y273-N560 WeakPolarHBondContact CE2-O 3.24Å; Y273-N560 PolarHBondContact OH-O 2.71Å; Y323-N560 PolarHBondContact OH-ND2 3.43Å; Y323-N560 VanDerWaalsContact OH-ND2 3.12Å; N560-W562 PolarHBondContact O-N 3.46Å; N560-E569 HydrophobicContact CB-CB 4.32Å; N560-E569 WeakPolarHBondContact CB-OE2 3.34Å
561	E	98.6	Very high	98.2	Very high	7 Å²	7	4.9 Å²	4.9	3%	0.033	3%	0.028	C	C	.	.			trans	-77.5	105.2	165	-152	-58.3	132.3	0	0	107.8	Y270 W272 S558 H563 E564 T566 Q567	Y270-E561 HydrophobicContact CD2-CB 3.62Å; Y270-E561 HydrophobicContact CD2-CG 4.07Å; Y270-E561 HydrophobicContact CE1-CG 4.38Å; Y270-E561 HydrophobicContact CE2-CB 3.62Å; Y270-E561 HydrophobicContact CE2-CG 3.99Å; Y270-E561 HydrophobicContact CG-CB 4.31Å; Y270-E561 HydrophobicContact CG-CG 4.35Å; W272-E561 HydrophobicContact CZ3-CG 4.12Å; S558-E561 WeakPolarHBondContact OG-CA 3.42Å; S558-E561 WeakPolarHBondContact OG-CB 3.44Å; S558-E561 PolarHBondContact OG-N 3.48Å; E561-H563 WeakPolarHBondContact OE1-CB 3.38Å; E561-H563 IonicContact OE1-CG 3.29Å; E561-H563 PolarHBondContact OE1-N 3.4Å; E561-H563 VanDerWaalsContact OE1-N 3.15Å; E561-H563 IonicContact OE1-ND1 2.74Å; E561-H563 PolarHBondContact OE2-N 2.89Å; E561-H563 VanDerWaalsContact OE2-N 3.12Å; E561-E564 WeakPolarHBondContact OE2-CA 3.25Å; E561-E564 WeakPolarHBondContact OE2-CB 3.48Å; E561-E564 VanDerWaalsContact OE2-CG 3.31Å; E561-E564 WeakPolarHBondContact OE2-CG 3.28Å; E561-E564 PolarHBondContact OE2-N 3.09Å; E561-T566 PolarHBondContact O-N 2.67Å; E561-T566 PolarHBondContact O-OG1 2.78Å; E561-Q567 PolarHBondContact O-N 2.91Å; E561-Q567 PolarHBondContact O-OE1 3.28Å
562	W	98.8	Very high	98.3	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-26.8	-173.2	-74.6	100.2	0	0	0	112.3	Y273 W285 S314 P318 Y323 N560 E564 G565 Q567 E569 A571	Y273-W562 HydrophobicContact CE1-CB 4.23Å; Y273-W562 AromaticContact CE1-CD1 3.97Å; Y273-W562 HydrophobicContact CE1-CG 4.46Å; Y273-W562 AromaticContact CE2-CD1 3.9Å; Y273-W562 AromaticContact CZ-CD1 3.5Å; Y273-W562 VanDerWaalsContact CZ-CD1 3.5Å; Y273-W562 WeakPolarHBondContact OH-CB 3.34Å; Y273-W562 PolarHBondContact OH-N 3.13Å; W285-W562 AromaticContact CH2-CD1 3.51Å; W285-W562 HydrophobicContact CH2-CD2 4.46Å; W285-W562 AromaticContact CH2-CG 3.98Å; W285-W562 HydrophobicContact CH2-CG 3.98Å; W285-W562 AromaticContact CH2-NE1 3.77Å; W285-W562 HydrophobicContact CZ3-CB 4.08Å; W285-W562 AromaticContact CZ3-CD1 3.8Å; W285-W562 HydrophobicContact CZ3-CD2 4.36Å; W285-W562 AromaticContact CZ3-CG 3.81Å; W285-W562 HydrophobicContact CZ3-CG 3.81Å; S314-W562 VanDerWaalsContact CB-O 3.23Å; S314-W562 WeakPolarHBondContact CB-O 3.06Å; S314-W562 PolarHBondContact OG-O 2.74Å; P318-W562 HydrophobicContact CB-CH2 3.79Å; P318-W562 HydrophobicContact CB-CZ2 3.45Å; P318-W562 VanDerWaalsContact CB-CZ2 3.45Å; P318-W562 HydrophobicContact CB-CZ3 4.44Å; P318-W562 HydrophobicContact CG-CD2 3.92Å; P318-W562 HydrophobicContact CG-CE3 4.16Å; P318-W562 HydrophobicContact CG-CH2 3.97Å; P318-W562 HydrophobicContact CG-CZ2 3.68Å; P318-W562 HydrophobicContact CG-CZ3 4.17Å; Y323-W562 AromaticContact CZ-NE1 3.99Å; Y323-W562 PolarHBondContact OH-NE1 2.8Å; N560-W562 PolarHBondContact O-N 3.46Å; W562-E564 VanDerWaalsContact C-N 3.27Å; W562-E564 PolarHBondContact O-N 3.34Å; W562-G565 PolarHBondContact O-N 3.45Å; W562-Q567 HydrophobicContact CD2-CB 4.39Å; W562-Q567 HydrophobicContact CD2-CG 3.78Å; W562-Q567 HydrophobicContact CE3-CG 3.56Å; W562-Q567 HydrophobicContact CH2-CG 3.6Å; W562-Q567 HydrophobicContact CZ2-CG 3.84Å; W562-Q567 VanDerWaalsContact CZ3-CD 3.47Å; W562-Q567 HydrophobicContact CZ3-CG 3.48Å; W562-Q567 VanDerWaalsContact CZ3-CG 3.48Å; W562-E569 HydrophobicContact CH2-CB 4.43Å; W562-E569 HydrophobicContact CZ2-CB 3.78Å; W562-E569 HydrophobicContact CZ2-CG 3.84Å; W562-E569 WeakPolarHBondContact CZ2-OE2 2.85Å; W562-E569 PolarHBondContact NE1-OE2 2.83Å; W562-A571 HydrophobicContact CH2-CB 4.08Å; W562-A571 HydrophobicContact CZ3-CB 4.13Å
563	H	98.6	Very high	98.4	Very high	7 Å²	7	7.9 Å²	7.9	3%	0.032	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-31.7	-173.9	-52.9	157.8	0	0	0	112.6	H284 H287 G313 D519 I522 E561	H284-H563 AromaticContact CG-CE1 3.88Å; H284-H563 AromaticContact ND1-CE1 3.36Å; H284-H563 PolarHBondContact ND1-CE1 2.96Å; H284-H563 PolarHBondContact O-NE2 3.44Å; H287-H563 AromaticContact CD2-CE1 3.19Å; H287-H563 PolarHBondContact CD2-CE1 2.78Å; H287-H563 AromaticContact CD2-ND1 3.49Å; H287-H563 PolarHBondContact CD2-ND1 2.99Å; H287-H563 AromaticContact CD2-NE2 3.67Å; H287-H563 AromaticContact NE2-CE1 3.82Å; H287-H563 AromaticContact NE2-ND1 3.71Å; G313-H563 WeakPolarHBondContact O-CA 3.48Å; G313-H563 PolarHBondContact O-CD2 3.15Å; G313-H563 VanDerWaalsContact O-CD2 3.32Å; D519-H563 VanDerWaalsContact CA-O 3.24Å; D519-H563 WeakPolarHBondContact CA-O 3.36Å; D519-H563 WeakPolarHBondContact CB-O 3.36Å; I522-H563 HydrophobicContact CD1-CB 3.56Å; I522-H563 HydrophobicContact CG1-CB 4.02Å; I522-H563 HydrophobicContact CG2-CB 4.43Å; E561-H563 WeakPolarHBondContact OE1-CB 3.38Å; E561-H563 IonicContact OE1-CG 3.29Å; E561-H563 PolarHBondContact OE1-N 3.4Å; E561-H563 VanDerWaalsContact OE1-N 3.15Å; E561-H563 IonicContact OE1-ND1 2.74Å; E561-H563 PolarHBondContact OE2-N 2.89Å; E561-H563 VanDerWaalsContact OE2-N 3.12Å
564	E	98.4	Very high	98.3	Very high	19 Å²	19	10.5 Å²	10.5	9%	0.089	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-0.3	179.1	-54.4	-163.7	145.9	0	0	112.8	Y517 I518 D519 R523 E561 W562 T566	Y517-E564 HydrophobicContact CD2-CB 4.04Å; Y517-E564 HydrophobicContact CE2-CB 3.58Å; Y517-E564 HydrophobicContact CE2-CG 3.95Å; Y517-E564 WeakPolarHBondContact CE2-OE2 3.43Å; Y517-E564 PolarHBondContact OH-OE1 3.46Å; I518-E564 CarbonylContact C-O 3.42Å; I518-E564 PolarHBondContact N-O 2.95Å; I518-E564 CarbonylContact O-C 3.59Å; I518-E564 VanDerWaalsContact O-C 3.26Å; D519-E564 HydrophobicContact CB-CB 4.47Å; D519-E564 HydrophobicContact CB-CG 4.4Å; R523-E564 IonicContact CZ-OE1 2.68Å; R523-E564 IonicContact NH1-OE1 2.62Å; R523-E564 PolarHBondContact NH1-OE1 2.7Å; R523-E564 IonicContact NH2-OE1 3.02Å; R523-E564 PolarHBondContact NH2-OE1 3.49Å; E561-E564 WeakPolarHBondContact OE2-CA 3.25Å; E561-E564 WeakPolarHBondContact OE2-CB 3.48Å; E561-E564 VanDerWaalsContact OE2-CG 3.31Å; E561-E564 WeakPolarHBondContact OE2-CG 3.28Å; E561-E564 PolarHBondContact OE2-N 3.09Å; W562-E564 VanDerWaalsContact C-N 3.27Å; W562-E564 PolarHBondContact O-N 3.34Å; E564-T566 HydrophobicContact CB-CG2 3.79Å; E564-T566 PolarHBondContact O-N 3.06Å
565	G	98.3	Very high	98.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	25.5	-179.7	0	0	0	0	0	112.7	I518 R533 W562	I518-G565 PolarHBondContact O-N 3Å; R533-G565 PolarHBondContact NH2-O 3.05Å; W562-G565 PolarHBondContact O-N 3.45Å
566	T	98.7	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.092	C	C	.	.			trans	-93.6	-2	-176.4	65.9	0	0	0	0	113	A482 P515 Y517 T557 S558 E561 E564	A482-T566 HydrophobicContact CB-CG2 3.77Å; P515-T566 WeakPolarHBondContact CD-O 3.36Å; P515-T566 WeakPolarHBondContact CG-O 3.4Å; Y517-T566 HydrophobicContact CD2-CG2 3.84Å; T557-T566 CarbonylContact C-O 3.52Å; T557-T566 WeakPolarHBondContact O-CB 3.43Å; S558-T566 PolarHBondContact N-O 3.49Å; S558-T566 PolarHBondContact OG-OG1 3Å; E561-T566 PolarHBondContact O-N 2.67Å; E561-T566 PolarHBondContact O-OG1 2.78Å; E564-T566 HydrophobicContact CB-CG2 3.79Å; E564-T566 PolarHBondContact O-N 3.06Å
567	Q	98.7	Very high	97.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.127	C	C	.	.			trans	-64.9	135.6	-177.5	76.6	-66.2	-16.4	0	0	113.3	Y316 R533 S558 F559 E561 W562 E569 Y584	Y316-Q567 VanDerWaalsContact CB-NE2 3.25Å; Y316-Q567 VanDerWaalsContact CD2-NE2 3.26Å; R533-Q567 VanDerWaalsContact CZ-O 3.32Å; R533-Q567 PolarHBondContact NH1-O 2.8Å; R533-Q567 VanDerWaalsContact NH2-CD 3.27Å; R533-Q567 PolarHBondContact NH2-O 3.47Å; S558-Q567 CarbonylContact O-C 3.56Å; S558-Q567 WeakPolarHBondContact O-CA 3.36Å; F559-Q567 WeakPolarHBondContact O-CA 3.39Å; F559-Q567 VanDerWaalsContact O-CB 3.29Å; F559-Q567 WeakPolarHBondContact O-CB 3.21Å; E561-Q567 PolarHBondContact O-N 2.91Å; E561-Q567 PolarHBondContact O-OE1 3.28Å; W562-Q567 HydrophobicContact CD2-CB 4.39Å; W562-Q567 HydrophobicContact CD2-CG 3.78Å; W562-Q567 HydrophobicContact CE3-CG 3.56Å; W562-Q567 HydrophobicContact CH2-CG 3.6Å; W562-Q567 HydrophobicContact CZ2-CG 3.84Å; W562-Q567 VanDerWaalsContact CZ3-CD 3.47Å; W562-Q567 HydrophobicContact CZ3-CG 3.48Å; W562-Q567 VanDerWaalsContact CZ3-CG 3.48Å; Q567-E569 HydrophobicContact CB-CB 4.2Å; Q567-E569 HydrophobicContact CG-CB 4.29Å; Q567-Y584 PolarHBondContact O-OH 2.59Å
568	I	98.8	Very high	97.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.			trans	-88.1	-7.4	160.6	64.4	161.6	0	0	0	112.4	I343 P515 Y539 I556 S558 F559 L593	I343-I568 HydrophobicContact CD1-CD1 3.83Å; P515-I568 HydrophobicContact CB-CG2 4.43Å; P515-I568 HydrophobicContact CG-CG2 4.16Å; Y539-I568 HydrophobicContact CE1-CG2 4.3Å; I556-I568 HydrophobicContact CD1-CD1 4.35Å; I556-I568 HydrophobicContact CG2-CD1 4.24Å; I556-I568 HydrophobicContact CG2-CG1 4.43Å; I556-I568 HydrophobicContact CG2-CG2 4.03Å; S558-I568 PolarHBondContact O-N 2.62Å; F559-I568 HydrophobicContact CD2-CD1 4.22Å; F559-I568 HydrophobicContact CD2-CG1 4.01Å; F559-I568 PolarHBondContact O-N 2.99Å; F559-I568 VanDerWaalsContact O-N 3.11Å; I568-L593 HydrophobicContact CD1-CD2 4.13Å; I568-L593 HydrophobicContact CG1-CD2 4.37Å
569	E	98.8	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-52.8	140.6	171.6	-166.9	-171	146.4	0	0	110.4	Y323 H334 W337 F559 N560 W562 Q567 A571 Y584	Y323-E569 WeakPolarHBondContact CE1-OE1 3.39Å; Y323-E569 PolarHBondContact OH-OE2 2.79Å; H334-E569 IonicContact CE1-OE2 3.48Å; H334-E569 IonicContact NE2-OE1 3.46Å; H334-E569 PolarHBondContact NE2-OE1 3.46Å; H334-E569 IonicContact NE2-OE2 3.47Å; W337-E569 HydrophobicContact CE3-CG 4.17Å; W337-E569 HydrophobicContact CZ3-CG 3.84Å; F559-E569 HydrophobicContact CE1-CB 4.27Å; F559-E569 HydrophobicContact CE1-CG 4.14Å; F559-E569 HydrophobicContact CZ-CB 4.43Å; F559-E569 HydrophobicContact CZ-CG 4.29Å; F559-E569 VanDerWaalsContact O-CB 3.29Å; F559-E569 WeakPolarHBondContact O-CB 3.14Å; F559-E569 PolarHBondContact O-N 2.81Å; N560-E569 HydrophobicContact CB-CB 4.32Å; N560-E569 WeakPolarHBondContact CB-OE2 3.34Å; W562-E569 HydrophobicContact CH2-CB 4.43Å; W562-E569 HydrophobicContact CZ2-CB 3.78Å; W562-E569 HydrophobicContact CZ2-CG 3.84Å; W562-E569 WeakPolarHBondContact CZ2-OE2 2.85Å; W562-E569 PolarHBondContact NE1-OE2 2.83Å; Q567-E569 HydrophobicContact CB-CB 4.2Å; Q567-E569 HydrophobicContact CG-CB 4.29Å; E569-A571 PolarHBondContact O-N 3.39Å; E569-Y584 PolarHBondContact O-OH 3.33Å
570	P	98.6	Very high	97	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.013	21%	0.208	C	C	.	.			trans	-55.2	131.3	177.1	-30.2	37.8	0	0	0	114.3	S319 W337 S589 L593	S319-P570 PolarHBondContact N-O 2.86Å; S319-P570 VanDerWaalsContact OG-C 3.32Å; S319-P570 PolarHBondContact OG-O 2.85Å; W337-P570 HydrophobicContact CD2-CG 4.1Å; W337-P570 HydrophobicContact CE3-CG 4.22Å; W337-P570 HydrophobicContact CH2-CB 4.29Å; W337-P570 HydrophobicContact CH2-CG 3.95Å; W337-P570 HydrophobicContact CZ2-CB 4.4Å; W337-P570 HydrophobicContact CZ2-CG 3.83Å; W337-P570 HydrophobicContact CZ3-CG 4.16Å; P570-S589 WeakPolarHBondContact CA-O 3.49Å; P570-S589 WeakPolarHBondContact CB-O 3.35Å; P570-L593 HydrophobicContact CG-CD1 3.92Å
571	A	98	Very high	97	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-114.6	142.5	173.7	0	0	0	0	0	110.6	Y316 Y317 S319 W562 E569 Y584 S589	Y316-A571 HydrophobicContact CD1-CB 4.28Å; Y317-A571 CarbonylContact O-C 3.27Å; Y317-A571 WeakPolarHBondContact O-CA 3.49Å; Y317-A571 WeakPolarHBondContact O-CB 3.46Å; S319-A571 VanDerWaalsContact OG-C 3.24Å; S319-A571 PolarHBondContact OG-N 3.07Å; W562-A571 HydrophobicContact CH2-CB 4.08Å; W562-A571 HydrophobicContact CZ3-CB 4.13Å; E569-A571 PolarHBondContact O-N 3.39Å; A571-Y584 HydrophobicContact CB-CD1 4.42Å; A571-Y584 HydrophobicContact CB-CD2 4.47Å; A571-Y584 HydrophobicContact CB-CE1 3.85Å; A571-Y584 HydrophobicContact CB-CE2 3.92Å; A571-S589 WeakPolarHBondContact O-CB 3.14Å
572	S	93.9	Very high	96.9	Very high	39 Å²	39	40.8 Å²	40.8	27%	0.273	23%	0.225	S	C	.	.			trans	-111	149.3	178.8	-69.8	0	0	0	0	111.4	Y317 S319 F574	Y317-S572 PolarHBondContact O-N 3.24Å; S319-S572 WeakPolarHBondContact CA-OG 3.29Å; S319-S572 WeakPolarHBondContact CB-OG 3.47Å; S319-S572 PolarHBondContact OG-N 3.11Å; S319-S572 PolarHBondContact OG-OG 2.91Å; S572-F574 PolarHBondContact O-N 3.24Å
573	P	96.9	Very high	96.7	Very high	87 Å²	87	42.5 Å²	42.5	57%	0.565	24%	0.237	S	C	*	.			trans	-55.1	127.8	168.2	-24.5	34.9	0	0	0	111	V585	P573-V585 HydrophobicContact CG-CG2 3.53Å
574	F	97.8	Very high	96.5	Very high	54 Å²	54	42.4 Å²	42.4	24%	0.237	24%	0.237	C	C	.	.			trans	-146.6	135.3	176.5	-173.1	-96	0	0	0	109.5	Y317 S572 Y581	Y317-F574 HydrophobicContact CD1-CB 3.87Å; Y317-F574 HydrophobicContact CD1-CD1 4.49Å; Y317-F574 HydrophobicContact CD1-CD2 4.07Å; Y317-F574 AromaticContact CD1-CG 3.9Å; Y317-F574 HydrophobicContact CD1-CG 3.9Å; Y317-F574 HydrophobicContact CD2-CB 4.05Å; Y317-F574 AromaticContact CD2-CD1 3.51Å; Y317-F574 HydrophobicContact CD2-CD1 3.51Å; Y317-F574 HydrophobicContact CD2-CD2 4.44Å; Y317-F574 HydrophobicContact CD2-CE1 4.02Å; Y317-F574 AromaticContact CD2-CG 3.75Å; Y317-F574 HydrophobicContact CD2-CG 3.75Å; Y317-F574 AromaticContact CE1-CD2 3.95Å; Y317-F574 HydrophobicContact CE1-CD2 3.95Å; Y317-F574 HydrophobicContact CE1-CE2 4.27Å; Y317-F574 HydrophobicContact CE1-CG 4.16Å; Y317-F574 AromaticContact CE2-CD1 3.72Å; Y317-F574 HydrophobicContact CE2-CD1 3.72Å; Y317-F574 HydrophobicContact CE2-CD2 4.35Å; Y317-F574 AromaticContact CE2-CE1 3.75Å; Y317-F574 HydrophobicContact CE2-CE1 3.75Å; Y317-F574 HydrophobicContact CE2-CE2 4.37Å; Y317-F574 HydrophobicContact CE2-CG 4.04Å; Y317-F574 HydrophobicContact CE2-CZ 4.09Å; Y317-F574 HydrophobicContact CG-CB 3.54Å; Y317-F574 AromaticContact CG-CD1 3.93Å; Y317-F574 HydrophobicContact CG-CD1 3.93Å; Y317-F574 HydrophobicContact CG-CD2 4.3Å; Y317-F574 AromaticContact CG-CG 3.67Å; Y317-F574 HydrophobicContact CG-CG 3.67Å; S572-F574 PolarHBondContact O-N 3.24Å; F574-Y581 HydrophobicContact CB-CD2 4.31Å; F574-Y581 AromaticContact CD1-CD2 3.57Å; F574-Y581 HydrophobicContact CD1-CD2 3.57Å; F574-Y581 AromaticContact CD1-CE2 3.55Å; F574-Y581 HydrophobicContact CD1-CE2 3.55Å; F574-Y581 HydrophobicContact CE1-CD2 4.43Å; F574-Y581 AromaticContact CE1-CE2 3.98Å; F574-Y581 HydrophobicContact CE1-CE2 3.98Å; F574-Y581 HydrophobicContact CG-CD2 4.43Å; F574-Y581 WeakPolarHBondContact O-CD2 3.49Å; F574-Y581 PolarHBondContact O-N 3.27Å
575	T	97.6	Very high	96.2	Very high	95 Å²	95	45.8 Å²	45.8	58%	0.583	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	111.7	172.8	-66.9	0	0	0	0	108.3	T580	T575-T580 WeakPolarHBondContact CG2-OG1 3.14Å; T575-T580 WeakPolarHBondContact OG1-CG2 3.05Å; T575-T580 PolarHBondContact OG1-OG1 2.92Å; T575-T580 VanDerWaalsContact OG1-OG1 3.11Å
576	G	92.6	Very high	95.9	Very high	9 Å²	9	51.4 Å²	51.4	9%	0.093	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	176.7	169.7	0	0	0	0	0	111.3	K578 F579	G576-K578 PolarHBondContact O-N 3.29Å; G576-F579 PolarHBondContact N-O 3.37Å; G576-F579 PolarHBondContact O-N 2.9Å
577	P	91.5	Very high	95.6	Very high	113 Å²	113	53.7 Å²	53.7	73%	0.734	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.1	-174.8	-26.5	34.8	0	0	0	115.6
578	K	90.7	Very high	95.3	Very high	204 Å²	204	60.8 Å²	60.8	89%	0.887	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	0.4	-174.3	-62.4	-175.1	-179.9	-177.1	0	114	G576	G576-K578 PolarHBondContact O-N 3.29Å
579	F	95.8	Very high	95.1	Very high	58 Å²	58	63 Å²	63	25%	0.254	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	129.1	-171.9	-170.8	-106.3	0	0	0	110.9	R521 G576 Y581	R521-F579 HydrophobicContact CG-CZ 4.38Å; G576-F579 PolarHBondContact N-O 3.37Å; G576-F579 PolarHBondContact O-N 2.9Å; F579-Y581 AromaticContact CD1-CD1 3.93Å; F579-Y581 HydrophobicContact CD1-CD1 3.93Å; F579-Y581 AromaticContact CD1-CD2 3.72Å; F579-Y581 HydrophobicContact CD1-CD2 3.72Å; F579-Y581 AromaticContact CD1-CE1 3.91Å; F579-Y581 HydrophobicContact CD1-CE1 3.91Å; F579-Y581 AromaticContact CD1-CE2 3.73Å; F579-Y581 HydrophobicContact CD1-CE2 3.73Å; F579-Y581 AromaticContact CD1-CG 3.85Å; F579-Y581 HydrophobicContact CD1-CG 3.85Å; F579-Y581 AromaticContact CD1-CZ 3.83Å; F579-Y581 AromaticContact CE1-CD1 3.75Å; F579-Y581 HydrophobicContact CE1-CD1 3.75Å; F579-Y581 HydrophobicContact CE1-CD2 4.23Å; F579-Y581 HydrophobicContact CE1-CE1 4.03Å; F579-Y581 AromaticContact CE1-CG 3.87Å; F579-Y581 HydrophobicContact CE1-CG 3.87Å
580	T	97.8	Very high	95	Very high	93 Å²	93	64.9 Å²	64.9	57%	0.571	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.8	168.2	-64.7	0	0	0	0	108.1	T575	T575-T580 WeakPolarHBondContact CG2-OG1 3.14Å; T575-T580 WeakPolarHBondContact OG1-CG2 3.05Å; T575-T580 PolarHBondContact OG1-OG1 2.92Å; T575-T580 VanDerWaalsContact OG1-OG1 3.11Å
581	Y	98.2	Very high	94.9	Very high	6 Å²	6	66.3 Å²	66.3	2%	0.024	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-79.2	149.2	-177.7	-67.9	-104.1	0	0	0	110.5	D310 D311 I312 S314 Y317 F574 F579	D310-Y581 PolarHBondContact O-OH 2.77Å; D311-Y581 VanDerWaalsContact CA-OH 3.26Å; D311-Y581 WeakPolarHBondContact CA-OH 3.48Å; I312-Y581 HydrophobicContact CD1-CE1 4.15Å; I312-Y581 HydrophobicContact CG1-CD1 4.46Å; I312-Y581 HydrophobicContact CG1-CE1 3.47Å; I312-Y581 VanDerWaalsContact CG1-CE1 3.47Å; I312-Y581 PolarHBondContact N-OH 2.94Å; S314-Y581 WeakPolarHBondContact O-CD1 3.45Å; S314-Y581 WeakPolarHBondContact O-CE1 3.26Å; Y317-Y581 HydrophobicContact CD2-CD1 4.35Å; Y317-Y581 HydrophobicContact CD2-CD2 4.39Å; Y317-Y581 HydrophobicContact CD2-CE1 4.24Å; Y317-Y581 HydrophobicContact CD2-CE2 4.25Å; Y317-Y581 HydrophobicContact CD2-CG 4.42Å; F574-Y581 HydrophobicContact CB-CD2 4.31Å; F574-Y581 AromaticContact CD1-CD2 3.57Å; F574-Y581 HydrophobicContact CD1-CD2 3.57Å; F574-Y581 AromaticContact CD1-CE2 3.55Å; F574-Y581 HydrophobicContact CD1-CE2 3.55Å; F574-Y581 HydrophobicContact CE1-CD2 4.43Å; F574-Y581 AromaticContact CE1-CE2 3.98Å; F574-Y581 HydrophobicContact CE1-CE2 3.98Å; F574-Y581 HydrophobicContact CG-CD2 4.43Å; F574-Y581 WeakPolarHBondContact O-CD2 3.49Å; F574-Y581 PolarHBondContact O-N 3.27Å; F579-Y581 AromaticContact CD1-CD1 3.93Å; F579-Y581 HydrophobicContact CD1-CD1 3.93Å; F579-Y581 AromaticContact CD1-CD2 3.72Å; F579-Y581 HydrophobicContact CD1-CD2 3.72Å; F579-Y581 AromaticContact CD1-CE1 3.91Å; F579-Y581 HydrophobicContact CD1-CE1 3.91Å; F579-Y581 AromaticContact CD1-CE2 3.73Å; F579-Y581 HydrophobicContact CD1-CE2 3.73Å; F579-Y581 AromaticContact CD1-CG 3.85Å; F579-Y581 HydrophobicContact CD1-CG 3.85Å; F579-Y581 AromaticContact CD1-CZ 3.83Å; F579-Y581 AromaticContact CE1-CD1 3.75Å; F579-Y581 HydrophobicContact CE1-CD1 3.75Å; F579-Y581 HydrophobicContact CE1-CD2 4.23Å; F579-Y581 HydrophobicContact CE1-CE1 4.03Å; F579-Y581 AromaticContact CE1-CG 3.87Å; F579-Y581 HydrophobicContact CE1-CG 3.87Å
582	L	97.5	Very high	94.9	Very high	69 Å²	69	66.5 Å²	66.5	36%	0.361	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-63.1	146.5	168.4	-59.5	180	0	0	0	109.2	N315 Y316 I518	N315-L582 HydrophobicContact CB-CD1 4.28Å; N315-L582 PolarHBondContact O-N 3.24Å; Y316-L582 HydrophobicContact CD1-CB 3.58Å; Y316-L582 VanDerWaalsContact CD1-O 3.28Å; Y316-L582 WeakPolarHBondContact CD1-O 3.35Å; Y316-L582 HydrophobicContact CE1-CB 3.35Å; Y316-L582 HydrophobicContact CE1-CD1 4.28Å; Y316-L582 HydrophobicContact CE1-CG 4.47Å; Y316-L582 HydrophobicContact CE2-CB 4.42Å; Y316-L582 HydrophobicContact CE2-CD1 4.17Å; Y316-L582 HydrophobicContact CG-CB 4.18Å; I518-L582 HydrophobicContact CD1-CD1 3.94Å; I518-L582 HydrophobicContact CG2-CD1 4.35Å
583	S	93.3	Very high	95.2	Very high	37 Å²	37	64.9 Å²	64.9	26%	0.259	36%	0.364	S	S	.	.			trans	-140.5	177	176.4	70.6	0	0	0	0	109.3	V585	S583-V585 VanDerWaalsContact C-N 3.34Å
584	Y	94.8	Very high	95.2	Very high	5 Å²	5	64.7 Å²	64.7	2%	0.02	36%	0.361	C	S	.	.			trans	-91.2	1.8	-180	-52.8	-22.2	0	0	0	113.1	Y316 R533 Q567 E569 A571 M587 S589 I591 Y592	Y316-Y584 HydrophobicContact CD1-CD1 4.36Å; Y316-Y584 AromaticContact CD1-CE1 3.8Å; Y316-Y584 HydrophobicContact CD1-CE1 3.8Å; Y316-Y584 HydrophobicContact CE1-CD1 4.16Å; Y316-Y584 AromaticContact CE1-CE1 3.79Å; Y316-Y584 HydrophobicContact CE1-CE1 3.79Å; R533-Y584 VanDerWaalsContact NH1-CZ 3.28Å; R533-Y584 PolarHBondContact NH1-OH 3.38Å; Q567-Y584 PolarHBondContact O-OH 2.59Å; E569-Y584 PolarHBondContact O-OH 3.33Å; A571-Y584 HydrophobicContact CB-CD1 4.42Å; A571-Y584 HydrophobicContact CB-CD2 4.47Å; A571-Y584 HydrophobicContact CB-CE1 3.85Å; A571-Y584 HydrophobicContact CB-CE2 3.92Å; Y584-M587 CarbonylContact C-O 3.38Å; Y584-M587 WeakPolarHBondContact O-CA 3.24Å; Y584-M587 WeakPolarHBondContact O-CB 3.34Å; Y584-M587 VanDerWaalsContact O-CE 3.31Å; Y584-M587 WeakPolarHBondContact O-CE 3.46Å; Y584-M587 PolarHBondContact O-N 3.3Å; Y584-S589 WeakPolarHBondContact CD2-O 3.35Å; Y584-S589 VanDerWaalsContact CE2-O 3.27Å; Y584-S589 WeakPolarHBondContact CE2-O 3.4Å; Y584-I591 HydrophobicContact CD2-CG2 3.88Å; Y584-I591 HydrophobicContact CG-CG2 4.05Å; Y584-Y592 HydrophobicContact CD1-CD2 4.18Å; Y584-Y592 AromaticContact CD1-CE2 3.73Å; Y584-Y592 HydrophobicContact CD1-CE2 3.73Å; Y584-Y592 AromaticContact CD2-CD2 3.92Å; Y584-Y592 HydrophobicContact CD2-CD2 3.92Å; Y584-Y592 HydrophobicContact CD2-CE2 4.21Å; Y584-Y592 AromaticContact CE1-CD2 3.95Å; Y584-Y592 HydrophobicContact CE1-CD2 3.95Å; Y584-Y592 AromaticContact CE1-CE2 3.74Å; Y584-Y592 HydrophobicContact CE1-CE2 3.74Å; Y584-Y592 AromaticContact CE2-CD2 3.67Å; Y584-Y592 HydrophobicContact CE2-CD2 3.67Å; Y584-Y592 HydrophobicContact CE2-CE2 4.22Å; Y584-Y592 HydrophobicContact CG-CD2 4.2Å; Y584-Y592 AromaticContact CG-CE2 4Å; Y584-Y592 HydrophobicContact CG-CE2 4Å; Y584-Y592 AromaticContact CZ-CD2 3.7Å
585	V	91.8	Very high	95.3	Very high	89 Å²	89	62.6 Å²	62.6	54%	0.539	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	137.6	178.9	173.1	0	0	0	0	110.7	P573 S583 M587	P573-V585 HydrophobicContact CG-CG2 3.53Å; S583-V585 VanDerWaalsContact C-N 3.34Å; V585-M587 VanDerWaalsContact C-N 3.35Å
586	P	91.9	Very high	95.3	Very high	119 Å²	119	58 Å²	58	77%	0.773	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.4	5.5	9.9	35.3	-37.3	0	0	0	115.4
587	M	92.6	Very high	95.6	Very high	48 Å²	48	60.5 Å²	60.5	24%	0.236	33%	0.331	C	S	.	.	S	Bend	trans	-81.1	159.6	178.3	-49.7	170.6	-71.2	0	0	111.3	N535 Y584 V585 I591	N535-M587 HydrophobicContact CB-CE 3.77Å; N535-M587 HydrophobicContact CB-SD 4.04Å; Y584-M587 CarbonylContact C-O 3.38Å; Y584-M587 WeakPolarHBondContact O-CA 3.24Å; Y584-M587 WeakPolarHBondContact O-CB 3.34Å; Y584-M587 VanDerWaalsContact O-CE 3.31Å; Y584-M587 WeakPolarHBondContact O-CE 3.46Å; Y584-M587 PolarHBondContact O-N 3.3Å; V585-M587 VanDerWaalsContact C-N 3.35Å; M587-I591 HydrophobicContact CB-CB 4.04Å; M587-I591 HydrophobicContact CB-CG1 4.11Å; M587-I591 HydrophobicContact CB-CG2 4.11Å; M587-I591 HydrophobicContact CE-CG2 4.22Å; M587-I591 HydrophobicContact CG-CG1 4.46Å; M587-I591 HydrophobicContact SD-CG1 3.82Å; M587-I591 HydrophobicContact SD-CG2 4.4Å
588	E	92.9	Very high	95.9	Very high	148 Å²	148	60.5 Å²	60.5	69%	0.692	32%	0.317	S	S	*	.			trans	-57.5	148.2	172.5	-62	-70.6	170.1	0	0	111.4	S590 I591	E588-S590 PolarHBondContact O-N 2.88Å; E588-S590 VanDerWaalsContact O-N 3.08Å; E588-I591 WeakPolarHBondContact O-CB 3.42Å; E588-I591 WeakPolarHBondContact O-CG2 3.45Å; E588-I591 PolarHBondContact O-N 3.42Å
589	S	95	Very high	96.2	Very high	46 Å²	46	51 Å²	51	32%	0.322	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.5	178.6	62.2	0	0	0	0	113	P570 A571 Y584	P570-S589 WeakPolarHBondContact CA-O 3.49Å; P570-S589 WeakPolarHBondContact CB-O 3.35Å; A571-S589 WeakPolarHBondContact O-CB 3.14Å; Y584-S589 WeakPolarHBondContact CD2-O 3.35Å; Y584-S589 VanDerWaalsContact CE2-O 3.27Å; Y584-S589 WeakPolarHBondContact CE2-O 3.4Å
590	S	95.4	Very high	96.3	Very high	41 Å²	41	48.4 Å²	48.4	29%	0.287	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4.8	178.6	58.6	0	0	0	0	114.6	E588 Y592 L593 T594	E588-S590 PolarHBondContact O-N 2.88Å; E588-S590 VanDerWaalsContact O-N 3.08Å; S590-Y592 VanDerWaalsContact C-N 3.28Å; S590-Y592 PolarHBondContact O-N 3.45Å; S590-Y592 VanDerWaalsContact O-N 3.1Å; S590-L593 WeakPolarHBondContact O-CA 3.4Å; S590-L593 VanDerWaalsContact O-CB 3.3Å; S590-L593 WeakPolarHBondContact O-CB 3.45Å; S590-L593 PolarHBondContact O-N 2.63Å; S590-T594 PolarHBondContact O-N 2.84Å
591	I	97.5	Very high	96.3	Very high	32 Å²	32	48.6 Å²	48.6	16%	0.164	26%	0.258	C	S	.	.	H	α-helix	trans	-53.8	-38.9	-170.4	-173.1	59	0	0	0	114	Y584 M587 E588 L593 T594 L595	Y584-I591 HydrophobicContact CD2-CG2 3.88Å; Y584-I591 HydrophobicContact CG-CG2 4.05Å; M587-I591 HydrophobicContact CB-CB 4.04Å; M587-I591 HydrophobicContact CB-CG1 4.11Å; M587-I591 HydrophobicContact CB-CG2 4.11Å; M587-I591 HydrophobicContact CE-CG2 4.22Å; M587-I591 HydrophobicContact CG-CG1 4.46Å; M587-I591 HydrophobicContact SD-CG1 3.82Å; M587-I591 HydrophobicContact SD-CG2 4.4Å; E588-I591 WeakPolarHBondContact O-CB 3.42Å; E588-I591 WeakPolarHBondContact O-CG2 3.45Å; E588-I591 PolarHBondContact O-N 3.42Å; I591-L593 VanDerWaalsContact C-N 3.31Å; I591-L593 PolarHBondContact O-N 2.8Å; I591-T594 PolarHBondContact O-N 3.1Å; I591-L595 HydrophobicContact CD1-CG 4.17Å; I591-L595 HydrophobicContact CG1-CD1 4.02Å; I591-L595 HydrophobicContact CG1-CG 4.13Å; I591-L595 WeakPolarHBondContact O-CB 3.25Å; I591-L595 VanDerWaalsContact O-CG 3.28Å; I591-L595 WeakPolarHBondContact O-CG 3.43Å; I591-L595 PolarHBondContact O-N 3.09Å
592	Y	98.6	Very high	96.1	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-71.1	-24.6	179.1	-72.2	-81.4	0	0	0	113.4	P515 R533 G536 Y539 Y584 S590 L595 T596	P515-Y592 HydrophobicContact CB-CD1 3.57Å; P515-Y592 HydrophobicContact CB-CE1 3.49Å; P515-Y592 VanDerWaalsContact CB-CE1 3.49Å; P515-Y592 HydrophobicContact CB-CG 4.37Å; R533-Y592 WeakPolarHBondContact CB-OH 3.47Å; R533-Y592 VanDerWaalsContact CD-CZ 3.5Å; R533-Y592 VanDerWaalsContact CD-OH 3.24Å; R533-Y592 WeakPolarHBondContact CD-OH 3.24Å; R533-Y592 VanDerWaalsContact NH1-CE2 3.33Å; G536-Y592 PolarHBondContact N-OH 3.04Å; Y539-Y592 AromaticContact CD1-CD1 3.78Å; Y539-Y592 HydrophobicContact CD1-CD1 3.78Å; Y539-Y592 HydrophobicContact CD1-CE1 4.27Å; Y539-Y592 HydrophobicContact CE1-CD1 4.26Å; Y539-Y592 HydrophobicContact CG-CD1 4.38Å; Y584-Y592 HydrophobicContact CD1-CD2 4.18Å; Y584-Y592 AromaticContact CD1-CE2 3.73Å; Y584-Y592 HydrophobicContact CD1-CE2 3.73Å; Y584-Y592 AromaticContact CD2-CD2 3.92Å; Y584-Y592 HydrophobicContact CD2-CD2 3.92Å; Y584-Y592 HydrophobicContact CD2-CE2 4.21Å; Y584-Y592 AromaticContact CE1-CD2 3.95Å; Y584-Y592 HydrophobicContact CE1-CD2 3.95Å; Y584-Y592 AromaticContact CE1-CE2 3.74Å; Y584-Y592 HydrophobicContact CE1-CE2 3.74Å; Y584-Y592 AromaticContact CE2-CD2 3.67Å; Y584-Y592 HydrophobicContact CE2-CD2 3.67Å; Y584-Y592 HydrophobicContact CE2-CE2 4.22Å; Y584-Y592 HydrophobicContact CG-CD2 4.2Å; Y584-Y592 AromaticContact CG-CE2 4Å; Y584-Y592 HydrophobicContact CG-CE2 4Å; Y584-Y592 AromaticContact CZ-CD2 3.7Å; S590-Y592 VanDerWaalsContact C-N 3.28Å; S590-Y592 PolarHBondContact O-N 3.45Å; S590-Y592 VanDerWaalsContact O-N 3.1Å; Y592-L595 HydrophobicContact CD1-CD1 4.31Å; Y592-L595 HydrophobicContact CE1-CD1 4.38Å; Y592-T596 VanDerWaalsContact O-CB 3.26Å; Y592-T596 WeakPolarHBondContact O-CB 3.32Å; Y592-T596 PolarHBondContact O-N 3.06Å; Y592-T596 PolarHBondContact O-OG1 3.24Å
593	L	98.7	Very high	96	Very high	5 Å²	5	52 Å²	52	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-46.4	169.6	-53.7	-179.4	0	0	0	110.1	W337 A341 F559 I568 P570 S590 I591 T596 R597	W337-L593 HydrophobicContact CB-CD1 3.67Å; W337-L593 HydrophobicContact CB-CD2 4.31Å; W337-L593 HydrophobicContact CD2-CD1 4.27Å; W337-L593 HydrophobicContact CG-CD1 3.58Å; A341-L593 HydrophobicContact CB-CB 4.22Å; A341-L593 HydrophobicContact CB-CD2 4.26Å; F559-L593 HydrophobicContact CE2-CD2 4.23Å; I568-L593 HydrophobicContact CD1-CD2 4.13Å; I568-L593 HydrophobicContact CG1-CD2 4.37Å; P570-L593 HydrophobicContact CG-CD1 3.92Å; S590-L593 WeakPolarHBondContact O-CA 3.4Å; S590-L593 VanDerWaalsContact O-CB 3.3Å; S590-L593 WeakPolarHBondContact O-CB 3.45Å; S590-L593 PolarHBondContact O-N 2.63Å; I591-L593 VanDerWaalsContact C-N 3.31Å; I591-L593 PolarHBondContact O-N 2.8Å; L593-T596 PolarHBondContact O-N 3.49Å; L593-R597 PolarHBondContact O-N 3.43Å
594	T	98.1	Very high	96	Very high	83 Å²	83	51.3 Å²	51.3	51%	0.509	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-42.7	177.2	-54.1	0	0	0	0	112.2	S590 I591 R597 R598	S590-T594 PolarHBondContact O-N 2.84Å; I591-T594 PolarHBondContact O-N 3.1Å; T594-R597 WeakPolarHBondContact O-CB 3.41Å; T594-R597 PolarHBondContact O-N 3.13Å; T594-R598 PolarHBondContact O-N 3.11Å
595	L	98.4	Very high	95.9	Very high	10 Å²	10	52 Å²	52	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-45.2	175.2	-71.9	176.1	0	0	0	111	Y539 E540 I591 Y592 R597 R598 M599	Y539-L595 HydrophobicContact CD1-CB 4.38Å; E540-L595 WeakPolarHBondContact OE1-CD2 3.28Å; I591-L595 HydrophobicContact CD1-CG 4.17Å; I591-L595 HydrophobicContact CG1-CD1 4.02Å; I591-L595 HydrophobicContact CG1-CG 4.13Å; I591-L595 WeakPolarHBondContact O-CB 3.25Å; I591-L595 VanDerWaalsContact O-CG 3.28Å; I591-L595 WeakPolarHBondContact O-CG 3.43Å; I591-L595 PolarHBondContact O-N 3.09Å; Y592-L595 HydrophobicContact CD1-CD1 4.31Å; Y592-L595 HydrophobicContact CE1-CD1 4.38Å; L595-R597 VanDerWaalsContact C-N 3.33Å; L595-R597 PolarHBondContact O-N 3.33Å; L595-R598 PolarHBondContact O-N 3.38Å; L595-M599 WeakPolarHBondContact O-CG 3.36Å; L595-M599 PolarHBondContact O-N 3.22Å
596	T	98.8	Very high	95.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.1	-48.5	175.3	-61.7	0	0	0	0	110.5	A341 I343 Y539 W543 I556 Y592 L593 R598 M599 I600	A341-T596 HydrophobicContact CB-CG2 4.04Å; I343-T596 HydrophobicContact CD1-CG2 4.15Å; I343-T596 HydrophobicContact CG1-CG2 4.01Å; Y539-T596 WeakPolarHBondContact CE1-OG1 3.2Å; Y539-T596 PolarHBondContact OH-OG1 3.36Å; W543-T596 HydrophobicContact CZ2-CG2 4.21Å; I556-T596 HydrophobicContact CD1-CG2 3.61Å; Y592-T596 VanDerWaalsContact O-CB 3.26Å; Y592-T596 WeakPolarHBondContact O-CB 3.32Å; Y592-T596 PolarHBondContact O-N 3.06Å; Y592-T596 PolarHBondContact O-OG1 3.24Å; L593-T596 PolarHBondContact O-N 3.49Å; T596-R598 VanDerWaalsContact C-N 3.34Å; T596-R598 PolarHBondContact O-N 2.85Å; T596-M599 PolarHBondContact O-N 3.01Å; T596-M599 VanDerWaalsContact O-N 3.1Å; T596-I600 HydrophobicContact CG2-CD1 3.9Å; T596-I600 HydrophobicContact CG2-CG1 4.34Å; T596-I600 WeakPolarHBondContact O-CG1 3.46Å; T596-I600 PolarHBondContact O-N 3.18Å
597	R	98.2	Very high	95.5	Very high	60 Å²	60	48.4 Å²	48.4	23%	0.226	24%	0.238	C	C	.	.	H	α-helix	trans	-53.9	-50.3	177	176.8	58.2	-176.9	-148.4	-1.9	112.4	D260 A341 L593 T594 L595 M599 I600 E601	D260-R597 PolarHBondContact O-NH1 3.06Å; D260-R597 IonicContact OD1-CZ 3.95Å; D260-R597 IonicContact OD1-NH1 3.65Å; D260-R597 PolarHBondContact OD1-NH1 2.8Å; D260-R597 IonicContact OD1-NH2 2.95Å; D260-R597 PolarHBondContact OD1-NH2 3.31Å; A341-R597 WeakPolarHBondContact O-CA 3.3Å; A341-R597 PolarHBondContact O-N 3.49Å; A341-R597 VanDerWaalsContact O-N 3.17Å; L593-R597 PolarHBondContact O-N 3.43Å; T594-R597 WeakPolarHBondContact O-CB 3.41Å; T594-R597 PolarHBondContact O-N 3.13Å; L595-R597 VanDerWaalsContact C-N 3.33Å; L595-R597 PolarHBondContact O-N 3.33Å; R597-M599 VanDerWaalsContact C-N 3.3Å; R597-M599 PolarHBondContact O-N 2.93Å; R597-I600 PolarHBondContact O-N 3.48Å; R597-E601 IonicContact CZ-OE1 2.68Å; R597-E601 IonicContact NE-OE1 2.66Å; R597-E601 PolarHBondContact NE-OE1 3.13Å; R597-E601 IonicContact NH2-OE1 3.5Å; R597-E601 PolarHBondContact NH2-OE1 3.44Å; R597-E601 WeakPolarHBondContact O-CG 3.5Å; R597-E601 PolarHBondContact O-N 3.47Å
598	R	97.8	Very high	95	Very high	114 Å²	114	52.9 Å²	52.9	43%	0.43	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-38.9	179.4	-169.1	-173.5	67.3	-171.3	-1	112.1	E540 T594 L595 T596 R602	E540-R598 IonicContact OE1-CZ 3.39Å; E540-R598 IonicContact OE1-NH1 3.38Å; E540-R598 IonicContact OE1-NH2 3.88Å; E540-R598 PolarHBondContact OE1-NH2 3.08Å; E540-R598 IonicContact OE2-NH2 3.4Å; E540-R598 PolarHBondContact OE2-NH2 3.07Å; T594-R598 PolarHBondContact O-N 3.11Å; L595-R598 PolarHBondContact O-N 3.38Å; T596-R598 VanDerWaalsContact C-N 3.34Å; T596-R598 PolarHBondContact O-N 2.85Å; R598-R602 WeakPolarHBondContact O-CB 3.37Å; R598-R602 PolarHBondContact O-N 3.18Å
599	M	98.2	Very high	94.5	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-71	-37	178.3	-63.8	-46	-70.1	0	0	112.5	W543 L547 L595 T596 R597 R602 K603	W543-M599 HydrophobicContact CB-CB 4.23Å; W543-M599 HydrophobicContact CB-CE 3.4Å; W543-M599 HydrophobicContact CB-CG 3.93Å; W543-M599 HydrophobicContact CB-SD 4.44Å; W543-M599 HydrophobicContact CD2-CB 3.49Å; W543-M599 VanDerWaalsContact CD2-CB 3.49Å; W543-M599 HydrophobicContact CD2-CG 4.02Å; W543-M599 HydrophobicContact CE3-CB 3.78Å; W543-M599 HydrophobicContact CG-CB 3.71Å; W543-M599 HydrophobicContact CG-CE 4.17Å; W543-M599 HydrophobicContact CG-CG 3.66Å; W543-M599 HydrophobicContact CZ2-CB 4.43Å; W543-M599 HydrophobicContact CZ3-CB 4.35Å; L547-M599 HydrophobicContact CD1-CE 3.98Å; L595-M599 WeakPolarHBondContact O-CG 3.36Å; L595-M599 PolarHBondContact O-N 3.22Å; T596-M599 PolarHBondContact O-N 3.01Å; T596-M599 VanDerWaalsContact O-N 3.1Å; R597-M599 VanDerWaalsContact C-N 3.3Å; R597-M599 PolarHBondContact O-N 2.93Å; M599-R602 PolarHBondContact O-N 2.87Å; M599-K603 PolarHBondContact O-N 3.47Å
600	I	98	Very high	93.6	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-43.9	173.2	-64.3	-179.9	0	0	0	110.8	D262 V265 A341 G342 I343 W543 T596 R597 R602 K603 N604	D262-I600 HydrophobicContact CB-CG2 3.62Å; V265-I600 HydrophobicContact CB-CD1 4.02Å; V265-I600 HydrophobicContact CB-CG1 4.4Å; V265-I600 HydrophobicContact CG1-CD1 3.62Å; V265-I600 HydrophobicContact CG1-CG1 4.06Å; V265-I600 HydrophobicContact CG2-CD1 4.23Å; V265-I600 HydrophobicContact CG2-CG1 4.07Å; A341-I600 WeakPolarHBondContact O-CD1 3.4Å; G342-I600 VanDerWaalsContact C-CD1 3.4Å; G342-I600 WeakPolarHBondContact O-CD1 3.26Å; I343-I600 HydrophobicContact CG1-CD1 4.15Å; W543-I600 HydrophobicContact CH2-CG1 3.86Å; W543-I600 HydrophobicContact CZ2-CG1 4.42Å; W543-I600 HydrophobicContact CZ3-CG1 4.49Å; T596-I600 HydrophobicContact CG2-CD1 3.9Å; T596-I600 HydrophobicContact CG2-CG1 4.34Å; T596-I600 WeakPolarHBondContact O-CG1 3.46Å; T596-I600 PolarHBondContact O-N 3.18Å; R597-I600 PolarHBondContact O-N 3.48Å; I600-R602 PolarHBondContact O-N 3.12Å; I600-K603 WeakPolarHBondContact O-CB 3.49Å; I600-K603 PolarHBondContact O-N 3.05Å; I600-K603 VanDerWaalsContact O-N 3.16Å; I600-N604 VanDerWaalsContact O-CB 3.32Å; I600-N604 WeakPolarHBondContact O-CB 3.41Å; I600-N604 PolarHBondContact O-N 3.26Å
601	E	95.9	Very high	92.2	Very high	97 Å²	97	63.5 Å²	63.5	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-38.8	174.6	-74.5	175.7	170.6	0	0	111.8	R597 N604 G605	R597-E601 IonicContact CZ-OE1 2.68Å; R597-E601 IonicContact NE-OE1 2.66Å; R597-E601 PolarHBondContact NE-OE1 3.13Å; R597-E601 IonicContact NH2-OE1 3.5Å; R597-E601 PolarHBondContact NH2-OE1 3.44Å; R597-E601 WeakPolarHBondContact O-CG 3.5Å; R597-E601 PolarHBondContact O-N 3.47Å; E601-N604 PolarHBondContact O-N 2.94Å; E601-G605 PolarHBondContact O-N 3.05Å
602	R	95.6	Very high	92	Very high	126 Å²	126	65.1 Å²	65.1	48%	0.475	31%	0.308	S	S	.	.	H	α-helix	trans	-66.7	-44.5	173.7	-175.8	175.1	173.7	-165.4	-9.4	112.4	N544 L547 R598 M599 I600 N604 G605 L606	N544-R602 PolarHBondContact OD1-NH1 3.38Å; N544-R602 PolarHBondContact OD1-NH2 2.8Å; L547-R602 HydrophobicContact CD1-CG 4.25Å; R598-R602 WeakPolarHBondContact O-CB 3.37Å; R598-R602 PolarHBondContact O-N 3.18Å; M599-R602 PolarHBondContact O-N 2.87Å; I600-R602 PolarHBondContact O-N 3.12Å; R602-N604 VanDerWaalsContact C-N 3.29Å; R602-N604 PolarHBondContact O-N 3.17Å; R602-G605 PolarHBondContact O-N 2.92Å; R602-L606 HydrophobicContact CG-CD1 4.3Å; R602-L606 WeakPolarHBondContact O-CG 3.29Å; R602-L606 PolarHBondContact O-N 3.12Å
603	K	95.2	Very high	91.6	Very high	20 Å²	20	68.3 Å²	68.3	9%	0.087	32%	0.324	C	S	.	.	H	α-helix	trans	-51.4	-52	172.5	-177.6	-174	168	-77.6	0	110.5	D262 V265 L547 I554 M599 I600 G605 L606 Q607	D262-K603 IonicContact OD1-NZ 3.45Å; D262-K603 WeakPolarHBondContact OD2-CD 3.35Å; D262-K603 WeakPolarHBondContact OD2-CE 3.33Å; D262-K603 IonicContact OD2-NZ 2.71Å; D262-K603 PolarHBondContact OD2-NZ 3.04Å; V265-K603 HydrophobicContact CG2-CD 3.81Å; L547-K603 HydrophobicContact CD2-CB 3.55Å; L547-K603 HydrophobicContact CD2-CG 3.77Å; I554-K603 HydrophobicContact CD1-CD 4.1Å; M599-K603 PolarHBondContact O-N 3.47Å; I600-K603 WeakPolarHBondContact O-CB 3.49Å; I600-K603 PolarHBondContact O-N 3.05Å; I600-K603 VanDerWaalsContact O-N 3.16Å; K603-G605 VanDerWaalsContact C-N 3.33Å; K603-G605 PolarHBondContact O-N 2.77Å; K603-L606 PolarHBondContact O-N 2.88Å; K603-Q607 PolarHBondContact O-N 3.2Å
604	N	93.3	Very high	91.2	Very high	23 Å²	23	71.8 Å²	71.8	12%	0.123	34%	0.34	C	S	.	.	H	α-helix	trans	-65.8	-34.4	-179	-75.8	-9.9	0	0	0	112.5	F256 D262 I600 E601 R602 R608	F256-N604 HydrophobicContact CD1-CB 4.44Å; F256-N604 HydrophobicContact CE1-CB 3.66Å; F256-N604 VanDerWaalsContact CE1-O 3.25Å; F256-N604 WeakPolarHBondContact CE1-O 3.49Å; D262-N604 PolarHBondContact OD2-OD1 3.32Å; D262-N604 VanDerWaalsContact OD2-OD1 3.04Å; I600-N604 VanDerWaalsContact O-CB 3.32Å; I600-N604 WeakPolarHBondContact O-CB 3.41Å; I600-N604 PolarHBondContact O-N 3.26Å; E601-N604 PolarHBondContact O-N 2.94Å; R602-N604 VanDerWaalsContact C-N 3.29Å; R602-N604 PolarHBondContact O-N 3.17Å; N604-R608 WeakPolarHBondContact O-CG 3.48Å; N604-R608 PolarHBondContact O-N 3.14Å; N604-R608 PolarHBondContact O-NE 2.79Å; N604-R608 VanDerWaalsContact O-NE 3.16Å
605	G	91.8	Very high	90.8	Very high	20 Å²	20	71.2 Å²	71.2	21%	0.206	33%	0.33	C	S	.	.	H	α-helix	trans	-64.2	-46.7	170.6	0	0	0	0	0	112.8	E601 R602 K603 R608 Q609	E601-G605 PolarHBondContact O-N 3.05Å; R602-G605 PolarHBondContact O-N 2.92Å; K603-G605 VanDerWaalsContact C-N 3.33Å; K603-G605 PolarHBondContact O-N 2.77Å; G605-R608 PolarHBondContact O-N 3.3Å; G605-Q609 WeakPolarHBondContact O-CG 3.38Å; G605-Q609 PolarHBondContact O-N 3.15Å
606	L	90.3	Very high	90.3	Very high	64 Å²	64	75 Å²	75	34%	0.335	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-40.8	179.1	-70.1	171.3	0	0	0	112	L547 R602 K603 R608 Q609 K610	L547-L606 HydrophobicContact CB-CD1 4.34Å; L547-L606 HydrophobicContact CD1-CD1 4.23Å; R602-L606 HydrophobicContact CG-CD1 4.3Å; R602-L606 WeakPolarHBondContact O-CG 3.29Å; R602-L606 PolarHBondContact O-N 3.12Å; K603-L606 PolarHBondContact O-N 2.88Å; L606-R608 PolarHBondContact O-N 3.29Å; L606-Q609 PolarHBondContact O-N 2.97Å; L606-Q609 VanDerWaalsContact O-N 3.17Å; L606-K610 PolarHBondContact O-N 3.23Å
607	Q	84.4	Confident	89.8	Confident	69 Å²	69	80 Å²	80	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-40.1	178.3	-168.9	172.2	10.5	0	0	112	F256 K603 Q609 K610 V611	F256-Q607 HydrophobicContact CZ-CB 4.27Å; F256-Q607 HydrophobicContact CZ-CG 4.36Å; K603-Q607 PolarHBondContact O-N 3.2Å; Q607-Q609 PolarHBondContact O-N 2.93Å; Q607-K610 PolarHBondContact O-N 3.11Å; Q607-K610 VanDerWaalsContact O-N 3.16Å; Q607-V611 PolarHBondContact O-N 3.32Å
608	R	83.2	Confident	89.2	Confident	141 Å²	141	81.4 Å²	81.4	53%	0.532	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-21.7	174.3	-77	-177.7	-72.1	-178.2	0.5	114.5	F256 N604 G605 L606	F256-R608 HydrophobicContact CD1-CG 3.58Å; F256-R608 HydrophobicContact CD2-CG 4.17Å; F256-R608 HydrophobicContact CE1-CG 3.53Å; F256-R608 HydrophobicContact CE2-CG 4.14Å; F256-R608 HydrophobicContact CG-CG 3.9Å; F256-R608 HydrophobicContact CZ-CG 3.84Å; N604-R608 WeakPolarHBondContact O-CG 3.48Å; N604-R608 PolarHBondContact O-N 3.14Å; N604-R608 PolarHBondContact O-NE 2.79Å; N604-R608 VanDerWaalsContact O-NE 3.16Å; G605-R608 PolarHBondContact O-N 3.3Å; L606-R608 PolarHBondContact O-N 3.29Å
609	Q	81.7	Confident	88.5	Confident	156 Å²	156	78.9 Å²	78.9	73%	0.729	38%	0.377	S	S	*	.	H	α-helix	trans	-84.3	-18.9	175.8	-70	174.6	0.7	0	0	112.6	G605 L606 Q607	G605-Q609 WeakPolarHBondContact O-CG 3.38Å; G605-Q609 PolarHBondContact O-N 3.15Å; L606-Q609 PolarHBondContact O-N 2.97Å; L606-Q609 VanDerWaalsContact O-N 3.17Å; Q607-Q609 PolarHBondContact O-N 2.93Å
610	K	75.6	Confident	87.7	Confident	133 Å²	133	85.2 Å²	85.2	58%	0.578	41%	0.407	S	S	*	.	H	α-helix	trans	-83.6	-33.7	176.9	-69.7	-175.1	179.9	-171.4	0	112.8	D550 L606 Q607	D550-K610 IonicContact OD1-NZ 3.37Å; D550-K610 PolarHBondContact OD1-NZ 2.83Å; D550-K610 IonicContact OD2-NZ 2.68Å; D550-K610 PolarHBondContact OD2-NZ 3.08Å; L606-K610 PolarHBondContact O-N 3.23Å; Q607-K610 PolarHBondContact O-N 3.11Å; Q607-K610 VanDerWaalsContact O-N 3.16Å
611	V	67.4	Low	86.8	Confident	170 Å²	170	92.6 Å²	92.6	100%	1.03	44%	0.443	S	S	*	.			trans	-76.5	0	173	-178.7	0	0	0	0	109.2	Q607	Q607-V611 PolarHBondContact O-N 3.32Å

Retrieved 611 of 611 residues in 1159.4 ms (Link to these results)

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