A0A5K4FAH4_SCHMA Loading...

DIX domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAH4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 519 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	35.5	Very low	33.8	Very low	225 Å²	225	135 Å²	135	100%	1.108	75%	0.751	S	S	*	*				0	68.4	0	-69.8	178.2	175.8	0	0	106
2	N	36.8	Very low	33.4	Very low	133 Å²	133	139.1 Å²	139.1	71%	0.711	76%	0.76	S	S	*	*				84.5	133.6	70	-73	57.7	0	0	0	109.2
3	D	34.4	Very low	33.3	Very low	121 Å²	121	140.1 Å²	140.1	65%	0.647	76%	0.764	S	S	*	*			cis	-157.3	143	-3	-92.2	-23	0	0	0	106.9
4	C	31.8	Very low	32.9	Very low	106 Å²	106	136.4 Å²	136.4	72%	0.716	75%	0.753	S	S	*	*				53.6	120.4	102.2	-60.9	0	0	0	0	115.1
5	S	34.7	Very low	32.8	Very low	98 Å²	98	136.9 Å²	136.9	69%	0.685	75%	0.752	S	S	*	*				104.1	179.8	65.1	-67.7	0	0	0	0	110.4
6	I	37.3	Very low	32.7	Very low	151 Å²	151	135.1 Å²	135.1	77%	0.774	75%	0.747	S	S	*	*			trans	91	102	177.3	-54.3	162.8	0	0	0	111.6
7	D	32.1	Very low	32.3	Very low	131 Å²	131	135.2 Å²	135.2	70%	0.701	75%	0.746	S	S	*	*				70.4	149.1	53.5	-44.1	-44.6	0	0	0	110.2
8	E	34.5	Very low	32.2	Very low	156 Å²	156	136.4 Å²	136.4	73%	0.729	75%	0.751	S	S	*	*			cis	-171.9	176.6	2.9	-135.5	178.7	179.5	0	0	109.5
9	L	30.8	Very low	31.8	Very low	140 Å²	140	140.4 Å²	140.4	73%	0.733	76%	0.755	S	S	*	*			trans	64.1	127.1	152.7	-59.7	157.8	0	0	0	118.6
10	S	29.8	Very low	31.7	Very low	90 Å²	90	141 Å²	141	63%	0.629	76%	0.758	S	S	*	*			cis	96	122.4	34.8	77.4	0	0	0	0	115.5
11	T	34.3	Very low	31.4	Very low	134 Å²	134	142.5 Å²	142.5	82%	0.822	77%	0.765	S	S	*	*			trans	176.1	112.3	149.2	38.4	0	0	0	0	105.5
12	E	29.3	Very low	31.1	Very low	184 Å²	184	138.8 Å²	138.8	86%	0.86	75%	0.749	S	S	*	*				71.5	149.3	68.9	-71.7	-161.5	151.4	0	0	115.6
13	D	31.5	Very low	30.7	Very low	152 Å²	152	142.4 Å²	142.4	81%	0.813	76%	0.758	S	S	*	*			trans	74.6	144.4	176.6	-68.7	-40.5	0	0	0	120.8
14	S	27.9	Very low	30.5	Very low	88 Å²	88	141.5 Å²	141.5	62%	0.615	76%	0.758	S	S	*	*			cis	-175.4	179.3	-44.2	45.1	0	0	0	0	109.3
15	I	31.4	Very low	30.4	Very low	144 Å²	144	141.9 Å²	141.9	74%	0.738	76%	0.76	S	S	*	*			trans	89.3	105	153.5	-66.1	160	0	0	0	120.7
16	T	31.2	Very low	30	Very low	108 Å²	108	142.7 Å²	142.7	66%	0.663	77%	0.765	S	S	*	*			trans	61.8	125.5	139.7	63.7	0	0	0	0	124.9
17	D	26.5	Very low	29.8	Very low	137 Å²	137	143.4 Å²	143.4	73%	0.733	77%	0.771	S	S	*	*				35.5	120.1	122.3	-47.5	-28	0	0	0	120.5
18	N	29.2	Very low	29.6	Very low	158 Å²	158	146.8 Å²	146.8	85%	0.845	78%	0.779	S	S	*	*				-168.3	148.4	110.8	-104.9	-67.8	0	0	0	113.3
19	Y	25.4	Very low	29.5	Very low	211 Å²	211	144.6 Å²	144.6	83%	0.827	78%	0.781	S	S	*	*			trans	-57	144.8	165.8	-74.5	-109.5	0	0	0	111.4
20	N	30.4	Very low	29.4	Very low	153 Å²	153	143.1 Å²	143.1	82%	0.818	78%	0.782	S	S	*	*			trans	-173.2	136.9	132.3	-97	-44.3	0	0	0	113.9
21	L	24.9	Very low	29.6	Very low	173 Å²	173	143.6 Å²	143.6	91%	0.906	79%	0.786	S	S	*	*			trans	-67.7	123.7	169.3	-69.4	112.3	0	0	0	111.6
22	I	29.7	Very low	29.3	Very low	147 Å²	147	145 Å²	145	75%	0.754	78%	0.783	S	S	*	*			trans	-143.5	112.2	165	-57.3	-176.4	0	0	0	111.4
23	K	28.2	Very low	29.3	Very low	209 Å²	209	142.1 Å²	142.1	91%	0.909	77%	0.774	S	S	*	*			trans	-67.6	137.3	158.1	-83.1	-178.3	170.5	-179.9	0	109.6
24	P	30.1	Very low	29	Very low	101 Å²	101	140.1 Å²	140.1	66%	0.656	77%	0.771	S	S	*	*				-157.6	-165.4	116.3	39.2	-19.6	0	0	0	112.8
25	P	28.9	Very low	29.1	Very low	115 Å²	115	140.6 Å²	140.6	75%	0.747	78%	0.775	S	S	*	*			cis	-122.7	159.9	-26.8	17.9	4.4	0	0	0	113.6
26	S	26.7	Very low	28.8	Very low	114 Å²	114	138.3 Å²	138.3	80%	0.797	77%	0.772	S	S	*	*			trans	-72.3	137.2	164.7	49.7	0	0	0	0	112.2
27	N	32.2	Very low	28.5	Very low	167 Å²	167	140 Å²	140	89%	0.893	78%	0.776	S	S	*	*			trans	-106.4	147.2	170.2	-107.9	-27.7	0	0	0	112.3
28	K	28	Very low	28.6	Very low	201 Å²	201	142.8 Å²	142.8	87%	0.874	78%	0.782	S	S	*	*			trans	-95.3	140.8	-165.5	-61.5	161.5	178.2	166.6	0	112.4
29	S	32.3	Very low	28.6	Very low	111 Å²	111	143.5 Å²	143.5	78%	0.776	78%	0.777	S	S	*	*			trans	-153.4	132.5	139.7	54.7	0	0	0	0	111.9
30	S	29.8	Very low	28.5	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	78%	0.776	S	S	*	*			trans	-12.2	147.6	154.3	45	0	0	0	0	118
31	S	32.9	Very low	28.4	Very low	100 Å²	100	140.5 Å²	140.5	70%	0.699	78%	0.78	S	S	*	*			cis	-166.6	160.8	19.2	35.4	0	0	0	0	113.6
32	E	29.3	Very low	28.5	Very low	163 Å²	163	140.4 Å²	140.4	76%	0.762	78%	0.775	S	S	*	*			trans	78.1	116.3	145.5	-82.9	178	-146.8	0	0	122.5
33	N	28.1	Very low	28.3	Very low	125 Å²	125	141.1 Å²	141.1	67%	0.668	78%	0.779	S	S	*	*			trans	88.6	105.7	133.7	-60.3	-22.2	0	0	0	121
34	S	26.7	Very low	28.1	Very low	109 Å²	109	136.6 Å²	136.6	76%	0.762	77%	0.774	S	S	*	*			trans	57.8	135.3	135.3	59	0	0	0	0	120.3
35	S	28.4	Very low	27.9	Very low	99 Å²	99	140.8 Å²	140.8	69%	0.692	78%	0.782	S	S	*	*			cis	-171.4	126.9	-3.8	44.1	0	0	0	0	111.1
36	S	25.6	Very low	27.7	Very low	96 Å²	96	142.8 Å²	142.8	67%	0.671	78%	0.781	S	S	*	*			trans	64.9	149.8	135.1	73.3	0	0	0	0	122
37	L	25.3	Very low	27.6	Very low	142 Å²	142	144 Å²	144	74%	0.743	78%	0.779	S	S	*	*			trans	78.6	127.3	163.9	-54.8	159.9	0	0	0	114.3
38	F	29.2	Very low	27.5	Very low	197 Å²	197	146.3 Å²	146.3	86%	0.864	78%	0.781	S	S	*	*			cis	-132.6	163.3	15.7	-105.2	-85	0	0	0	114.5
39	K	27.8	Very low	27.4	Very low	173 Å²	173	143.9 Å²	143.9	75%	0.752	78%	0.777	S	S	*	*			trans	-101.5	152.5	-178.5	-88.8	177.4	169.5	-177.7	0	112.9
40	H	24.9	Very low	27.1	Very low	171 Å²	171	145 Å²	145	79%	0.792	77%	0.774	S	S	*	*			trans	32.4	127.7	146.2	-56.2	-67.6	0	0	0	121
41	S	28.4	Very low	27	Very low	129 Å²	129	148 Å²	148	90%	0.902	78%	0.776	S	S	*	*				-147.1	149.4	121.9	57.8	0	0	0	0	110.8
42	Q	25.6	Very low	26.8	Very low	171 Å²	171	151.3 Å²	151.3	80%	0.799	78%	0.778	S	S	*	*			trans	-127.5	162.9	-168.8	-151.7	178.3	12.5	0	0	108
43	L	25.2	Very low	26.7	Very low	162 Å²	162	150.2 Å²	150.2	85%	0.848	78%	0.775	S	S	*	*			trans	76.1	153.3	170.5	-53	143.4	0	0	0	114.7
44	S	25	Very low	26.6	Very low	114 Å²	114	150.8 Å²	150.8	80%	0.797	78%	0.778	S	S	*	*			cis	-144.8	172.9	7.1	54.8	0	0	0	0	113.2
45	K	25.1	Very low	26.7	Very low	189 Å²	189	151.3 Å²	151.3	82%	0.822	78%	0.776	S	S	*	*			trans	-65.1	169.7	175.8	-62.8	174.6	173.9	178.9	0	114.4
46	Q	24.3	Very low	26.6	Very low	157 Å²	157	152 Å²	152	73%	0.734	78%	0.776	S	S	*	*			trans	90.5	145.5	153.8	-126.2	77.3	17.6	0	0	117.4
47	D	26.2	Very low	26.7	Very low	139 Å²	139	154.3 Å²	154.3	74%	0.743	78%	0.781	S	S	*	*			trans	67.5	96.7	165.7	-50.4	-25.3	0	0	0	118.6
48	F	29.6	Very low	26.7	Very low	217 Å²	217	156.5 Å²	156.5	95%	0.952	79%	0.788	S	S	*	*				-159.7	89.3	126.8	-112	-72.3	0	0	0	110.7
49	L	25.6	Very low	26.5	Very low	149 Å²	149	155 Å²	155	78%	0.78	79%	0.788	S	S	*	*			trans	-81.3	164.1	159.7	-99	163.7	0	0	0	109.8
50	D	25.5	Very low	26.4	Very low	135 Å²	135	156.2 Å²	156.2	72%	0.722	79%	0.793	S	S	*	*			trans	75.1	143.9	164.5	-62.2	-33.2	0	0	0	120.5
51	H	27.6	Very low	26.3	Very low	172 Å²	172	156.1 Å²	156.1	80%	0.796	80%	0.799	S	S	*	*			trans	78.8	128.8	-178.1	-63.6	-36.5	0	0	0	116.4
52	K	29.6	Very low	26.2	Very low	168 Å²	168	156 Å²	156	73%	0.73	79%	0.793	S	S	*	*			cis	-162.1	137.9	16.4	-125.8	174.1	176.6	177.5	0	113.6
53	M	28	Very low	26.2	Very low	141 Å²	141	155.2 Å²	155.2	70%	0.695	79%	0.793	S	S	*	*			trans	65.2	112.5	143.4	-62.9	-81.5	167.2	0	0	118.5
54	N	25.9	Very low	26.2	Very low	137 Å²	137	156.2 Å²	156.2	73%	0.733	80%	0.799	S	S	*	*				68.9	127.5	85.8	-75.9	-13.5	0	0	0	112.8
55	T	27.8	Very low	26.2	Very low	119 Å²	119	154.6 Å²	154.6	73%	0.73	79%	0.787	S	S	*	*			cis	-157.2	162.3	39.9	40.8	0	0	0	0	116.2
56	T	26.5	Very low	26.3	Very low	114 Å²	114	152.3 Å²	152.3	70%	0.699	78%	0.784	S	S	*	*			trans	85.8	129.7	142.4	32.3	0	0	0	0	123.5
57	N	28.8	Very low	26.5	Very low	144 Å²	144	152.8 Å²	152.8	77%	0.77	79%	0.786	S	S	*	*			trans	70	96.1	158.2	-50.1	-14.6	0	0	0	115.3
58	Q	24.4	Very low	26.7	Very low	188 Å²	188	154.5 Å²	154.5	88%	0.879	80%	0.795	S	S	*	*			cis	52.1	86.8	36.2	-81	-163	5.1	0	0	114.7
59	L	24.7	Very low	26.8	Very low	166 Å²	166	148.6 Å²	148.6	87%	0.869	78%	0.78	S	S	*	*				-175.1	163.7	129	-96.5	160.6	0	0	0	108.9
60	F	26.4	Very low	27.3	Very low	198 Å²	198	145.8 Å²	145.8	87%	0.868	77%	0.77	S	S	*	*			trans	73.9	66.3	-172.5	-63	-78.1	0	0	0	117.1
61	N	23.2	Very low	27.8	Very low	169 Å²	169	145.6 Å²	145.6	90%	0.904	77%	0.769	S	S	*	*			trans	-132.8	92.6	151.6	-122.7	-11.2	0	0	0	108.1
62	T	25.4	Very low	28.2	Very low	126 Å²	126	142.3 Å²	142.3	77%	0.773	76%	0.761	S	S	*	*			trans	-153.3	140.3	173.2	-9.5	0	0	0	0	112.1
63	L	26.4	Very low	28.6	Very low	155 Å²	155	138.2 Å²	138.2	81%	0.812	75%	0.747	S	S	*	*			trans	76.3	59.9	168	-62.5	162.9	0	0	0	117.6	S65	L63-S65 PolarHBondContact O-N 3.18Å
64	L	24.1	Very low	29.1	Very low	184 Å²	184	136.1 Å²	136.1	96%	0.963	74%	0.738	S	S	*	*			trans	-72.3	96.6	142.2	-97.4	150.6	0	0	0	110.2
65	S	25.7	Very low	30	Very low	79 Å²	79	132.7 Å²	132.7	55%	0.552	72%	0.724	S	S	*	*			trans	-164.1	152.1	148.6	65.6	0	0	0	0	111.9	L63	L63-S65 PolarHBondContact O-N 3.18Å
66	D	27	Very low	30.7	Very low	141 Å²	141	132.8 Å²	132.8	75%	0.754	72%	0.716	S	S	*	*	S	Bend	trans	89	18.4	156.8	-48.1	-35.8	0	0	0	122.6
67	H	29.2	Very low	31.2	Very low	168 Å²	168	135.3 Å²	135.3	78%	0.778	71%	0.713	S	S	*	*			trans	-132.4	54.8	167.2	-72.8	-36.7	0	0	0	115.7
68	N	29.9	Very low	31.8	Very low	174 Å²	174	134.3 Å²	134.3	93%	0.93	70%	0.704	S	S	*	*			trans	-94.6	22.6	175.8	-104.4	-5.4	0	0	0	114.8
69	S	31.9	Very low	32.8	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	68%	0.683	S	S	*	*	S	Bend	trans	-110.7	3.6	-170.7	53.3	0	0	0	0	115.9
70	T	34.9	Very low	33.6	Very low	90 Å²	90	127.8 Å²	127.8	55%	0.552	67%	0.671	S	S	*	*	S	Bend	trans	-107	-21.3	-171.1	1.5	0	0	0	0	115.4	T72	T70-T72 PolarHBondContact O-N 3.05Å
71	N	35.8	Very low	34.3	Very low	132 Å²	132	121.6 Å²	121.6	71%	0.706	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-12.2	-170.1	-81	-3	0	0	0	115.9
72	T	36	Very low	35	Very low	102 Å²	102	118.1 Å²	118.1	63%	0.626	63%	0.63	S	S	*	*	H	α-helix	trans	-75.8	-34	176.1	40.8	0	0	0	0	113.1	T70 I74	T70-T72 PolarHBondContact O-N 3.05Å; T72-I74 VanDerWaalsContact C-N 3.31Å; T72-I74 PolarHBondContact O-N 2.87Å
73	N	38.8	Very low	35.8	Very low	82 Å²	82	117.5 Å²	117.5	44%	0.439	62%	0.619	S	S	.	*	H	α-helix	trans	-71.4	-18.6	-177.4	-86.8	-74.7	0	0	0	114.5	R77	N73-R77 WeakPolarHBondContact O-CG 3.21Å; N73-R77 PolarHBondContact O-N 2.79Å
74	I	39.3	Very low	36.5	Very low	98 Å²	98	114.6 Å²	114.6	50%	0.503	60%	0.601	S	S	.	*	H	α-helix	trans	-77.7	-40.8	-178.6	-59.9	175.2	0	0	0	110.3	T72 R77 Q78	T72-I74 VanDerWaalsContact C-N 3.31Å; T72-I74 PolarHBondContact O-N 2.87Å; I74-R77 PolarHBondContact O-N 3.11Å; I74-Q78 WeakPolarHBondContact O-CG 3.44Å; I74-Q78 PolarHBondContact O-N 3.15Å
75	S	44.7	Very low	37	Very low	64 Å²	64	107.3 Å²	107.3	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-60.8	-49.9	175.6	179.9	0	0	0	0	111.8	R77 Q78 I79	S75-R77 VanDerWaalsContact C-N 3.35Å; S75-R77 PolarHBondContact O-N 3.28Å; S75-Q78 PolarHBondContact O-N 3.13Å; S75-Q78 VanDerWaalsContact O-N 3.16Å; S75-I79 WeakPolarHBondContact O-CG1 3.46Å; S75-I79 PolarHBondContact O-N 3.33Å
76	E	40.8	Very low	37.4	Very low	121 Å²	121	108.6 Å²	108.6	57%	0.565	56%	0.564	S	S	*	*	H	α-helix	trans	-61.1	-41.2	-179.8	-68.9	-179.5	160.8	0	0	112.2	I79 E80	E76-I79 PolarHBondContact O-N 3.12Å; E76-E80 PolarHBondContact O-N 3.03Å
77	R	38.4	Very low	37.9	Very low	167 Å²	167	106.8 Å²	106.8	63%	0.63	55%	0.551	S	S	*	*	H	α-helix	trans	-67	-36.2	175.2	-71.8	-175.3	-165.2	179.7	8.1	113.4	N73 I74 S75 I79 E80 T81	N73-R77 WeakPolarHBondContact O-CG 3.21Å; N73-R77 PolarHBondContact O-N 2.79Å; I74-R77 PolarHBondContact O-N 3.11Å; S75-R77 VanDerWaalsContact C-N 3.35Å; S75-R77 PolarHBondContact O-N 3.28Å; R77-I79 VanDerWaalsContact C-N 3.31Å; R77-E80 PolarHBondContact O-N 3.37Å; R77-T81 WeakPolarHBondContact O-CB 3.45Å; R77-T81 PolarHBondContact O-N 3.44Å; R77-T81 PolarHBondContact O-OG1 3Å
78	Q	41.4	Very low	38.2	Very low	123 Å²	123	102 Å²	102	58%	0.575	53%	0.531	S	S	*	.	H	α-helix	trans	-64.6	-38.8	174	-78.6	179.3	-28.3	0	0	111	I74 S75 T81 N82	I74-Q78 WeakPolarHBondContact O-CG 3.44Å; I74-Q78 PolarHBondContact O-N 3.15Å; S75-Q78 PolarHBondContact O-N 3.13Å; S75-Q78 VanDerWaalsContact O-N 3.16Å; Q78-T81 PolarHBondContact O-N 3.33Å; Q78-N82 WeakPolarHBondContact O-CB 3.39Å; Q78-N82 PolarHBondContact O-N 2.69Å; Q78-N82 PolarHBondContact O-ND2 3.41Å
79	I	44.5	Very low	38.4	Very low	88 Å²	88	96 Å²	96	45%	0.451	50%	0.498	S	S	.	.	H	α-helix	trans	-65.2	-46.7	174.8	-64.9	163.7	0	0	0	111.1	S75 E76 R77 T81 N82 Q83	S75-I79 WeakPolarHBondContact O-CG1 3.46Å; S75-I79 PolarHBondContact O-N 3.33Å; E76-I79 PolarHBondContact O-N 3.12Å; R77-I79 VanDerWaalsContact C-N 3.31Å; I79-T81 PolarHBondContact O-N 2.74Å; I79-N82 PolarHBondContact O-N 2.74Å; I79-Q83 WeakPolarHBondContact O-CG 3.34Å; I79-Q83 PolarHBondContact O-N 2.74Å
80	E	42.4	Very low	38.5	Very low	130 Å²	130	94.4 Å²	94.4	61%	0.607	49%	0.487	S	S	*	.	H	α-helix	trans	-61.1	-42.3	175.8	-73.2	-177	155.4	0	0	112.2	E76 R77 Q83 Q84	E76-E80 PolarHBondContact O-N 3.03Å; R77-E80 PolarHBondContact O-N 3.37Å; E80-Q83 PolarHBondContact O-N 3.06Å; E80-Q84 WeakPolarHBondContact O-CB 3.32Å; E80-Q84 PolarHBondContact O-N 2.86Å
81	T	40.4	Very low	38.8	Very low	68 Å²	68	95.6 Å²	95.6	42%	0.417	49%	0.485	S	S	.	.	H	α-helix	trans	-64.7	-43.9	178.1	-49.5	0	0	0	0	110.8	R77 Q78 I79 Q83 Q84 N85	R77-T81 WeakPolarHBondContact O-CB 3.45Å; R77-T81 PolarHBondContact O-N 3.44Å; R77-T81 PolarHBondContact O-OG1 3Å; Q78-T81 PolarHBondContact O-N 3.33Å; I79-T81 PolarHBondContact O-N 2.74Å; T81-Q83 PolarHBondContact O-N 3.16Å; T81-Q84 PolarHBondContact O-N 3.49Å; T81-N85 WeakPolarHBondContact O-CB 3.17Å; T81-N85 PolarHBondContact O-N 3.11Å; T81-N85 PolarHBondContact O-OD1 2.99Å
82	N	37.4	Very low	38.8	Very low	95 Å²	95	92 Å²	92	51%	0.508	47%	0.465	S	S	.	.	H	α-helix	trans	-64	-38.8	176.1	-69.8	-13.3	0	0	0	112	Q78 I79 N86	Q78-N82 WeakPolarHBondContact O-CB 3.39Å; Q78-N82 PolarHBondContact O-N 2.69Å; Q78-N82 PolarHBondContact O-ND2 3.41Å; I79-N82 PolarHBondContact O-N 2.74Å; N82-N86 WeakPolarHBondContact O-CB 3.35Å; N82-N86 PolarHBondContact O-N 3.29Å; N82-N86 PolarHBondContact O-OD1 3.37Å
83	Q	43.2	Very low	38.9	Very low	113 Å²	113	91.9 Å²	91.9	53%	0.528	46%	0.457	S	S	.	.	H	α-helix	trans	-65.2	-41.4	174.4	-74.4	179.6	11.6	0	0	112.3	I79 E80 T81 N86 Q87	I79-Q83 WeakPolarHBondContact O-CG 3.34Å; I79-Q83 PolarHBondContact O-N 2.74Å; E80-Q83 PolarHBondContact O-N 3.06Å; T81-Q83 PolarHBondContact O-N 3.16Å; Q83-N86 PolarHBondContact O-N 2.99Å; Q83-Q87 WeakPolarHBondContact O-CG 3.35Å; Q83-Q87 PolarHBondContact O-N 3.32Å
84	Q	40.2	Very low	38.9	Very low	94 Å²	94	92.6 Å²	92.6	44%	0.439	46%	0.461	S	S	.	.	H	α-helix	trans	-68.5	-38.5	178.6	-168.8	60	74.8	0	0	112.1	E80 T81 Q87 N88	E80-Q84 WeakPolarHBondContact O-CB 3.32Å; E80-Q84 PolarHBondContact O-N 2.86Å; T81-Q84 PolarHBondContact O-N 3.49Å; Q84-Q87 PolarHBondContact O-N 2.91Å; Q84-N88 PolarHBondContact O-N 2.73Å; Q84-N88 VanDerWaalsContact O-N 3.12Å
85	N	34.9	Very low	39	Very low	31 Å²	31	92.7 Å²	92.7	17%	0.166	46%	0.462	C	S	.	.	H	α-helix	trans	-62.9	-47.3	173.8	-69	-4.2	0	0	0	110.6	T81 Q87 N88 M89	T81-N85 WeakPolarHBondContact O-CB 3.17Å; T81-N85 PolarHBondContact O-N 3.11Å; T81-N85 PolarHBondContact O-OD1 2.99Å; N85-Q87 VanDerWaalsContact C-N 3.28Å; N85-Q87 PolarHBondContact O-N 3.47Å; N85-N88 PolarHBondContact O-N 2.85Å; N85-M89 WeakPolarHBondContact O-CG 3.36Å; N85-M89 PolarHBondContact O-N 3.04Å
86	N	35.4	Very low	38.9	Very low	106 Å²	106	92.2 Å²	92.2	57%	0.567	45%	0.454	S	S	*	.	H	α-helix	trans	-59.6	-36	176.3	-68.9	-4.1	0	0	0	112.6	N82 Q83 M89 S90	N82-N86 WeakPolarHBondContact O-CB 3.35Å; N82-N86 PolarHBondContact O-N 3.29Å; N82-N86 PolarHBondContact O-OD1 3.37Å; Q83-N86 PolarHBondContact O-N 2.99Å; N86-M89 PolarHBondContact O-N 3.16Å; N86-S90 PolarHBondContact O-N 3.33Å; N86-S90 PolarHBondContact O-OG 3.38Å
87	Q	37	Very low	38.7	Very low	104 Å²	104	90.9 Å²	90.9	49%	0.486	46%	0.458	S	S	.	.	H	α-helix	trans	-69.7	-30.3	174.5	-73.9	179	14.7	0	0	113.9	Q83 Q84 N85 K91	Q83-Q87 WeakPolarHBondContact O-CG 3.35Å; Q83-Q87 PolarHBondContact O-N 3.32Å; Q84-Q87 PolarHBondContact O-N 2.91Å; N85-Q87 VanDerWaalsContact C-N 3.28Å; N85-Q87 PolarHBondContact O-N 3.47Å; Q87-K91 WeakPolarHBondContact O-CG 3.49Å; Q87-K91 PolarHBondContact O-N 2.83Å
88	N	36	Very low	38.8	Very low	67 Å²	67	89.8 Å²	89.8	36%	0.358	46%	0.464	S	S	.	.	H	α-helix	trans	-78	-36.5	174.7	-69.9	-13.8	0	0	0	110.9	Q84 N85 K91 L92	Q84-N88 PolarHBondContact O-N 2.73Å; Q84-N88 VanDerWaalsContact O-N 3.12Å; N85-N88 PolarHBondContact O-N 2.85Å; N88-K91 PolarHBondContact O-N 3.22Å; N88-L92 PolarHBondContact O-N 3.48Å; N88-L92 VanDerWaalsContact O-N 3.08Å
89	M	33	Very low	38.8	Very low	48 Å²	48	86.3 Å²	86.3	24%	0.236	45%	0.449	C	S	.	.	H	α-helix	trans	-58.4	-53	171.7	-72.6	-66.6	-69.1	0	0	111.3	N85 N86 K91 L92 E93 E184	N85-M89 WeakPolarHBondContact O-CG 3.36Å; N85-M89 PolarHBondContact O-N 3.04Å; N86-M89 PolarHBondContact O-N 3.16Å; M89-K91 PolarHBondContact O-N 3.49Å; M89-L92 CarbonylContact O-C 3.59Å; M89-L92 PolarHBondContact O-N 3.41Å; M89-E93 WeakPolarHBondContact O-CG 3.1Å; M89-E93 PolarHBondContact O-N 3.27Å; M89-E184 HydrophobicContact CE-CG 4.43Å
90	S	34.9	Very low	38.7	Very low	60 Å²	60	85.2 Å²	85.2	42%	0.42	45%	0.449	S	S	.	.	H	α-helix	trans	-58.3	-35.2	177.4	-65.4	0	0	0	0	113	N86 L92 E93 D94	N86-S90 PolarHBondContact O-N 3.33Å; N86-S90 PolarHBondContact O-OG 3.38Å; S90-L92 VanDerWaalsContact C-N 3.35Å; S90-L92 PolarHBondContact O-N 3.24Å; S90-E93 PolarHBondContact O-N 3.21Å; S90-D94 WeakPolarHBondContact O-CB 3.45Å; S90-D94 PolarHBondContact O-N 3.27Å
91	K	40.6	Very low	38.7	Very low	115 Å²	115	81.1 Å²	81.1	50%	0.5	43%	0.431	S	S	.	.	H	α-helix	trans	-68.4	-32	174.9	-71.7	170.5	-172.5	163.5	0	113.3	Q87 N88 M89 I95	Q87-K91 WeakPolarHBondContact O-CG 3.49Å; Q87-K91 PolarHBondContact O-N 2.83Å; N88-K91 PolarHBondContact O-N 3.22Å; M89-K91 PolarHBondContact O-N 3.49Å; K91-I95 WeakPolarHBondContact O-CB 3.26Å; K91-I95 VanDerWaalsContact O-CD1 3.26Å; K91-I95 WeakPolarHBondContact O-CD1 3.2Å; K91-I95 WeakPolarHBondContact O-CG1 3.15Å; K91-I95 PolarHBondContact O-N 2.95Å
92	L	36.4	Very low	38.9	Very low	56 Å²	56	81.3 Å²	81.3	29%	0.293	44%	0.436	S	S	.	.	H	α-helix	trans	-78.2	-36.2	175.4	-92.8	163.1	0	0	0	111.6	N88 M89 S90 I95 L96 M187	N88-L92 PolarHBondContact O-N 3.48Å; N88-L92 VanDerWaalsContact O-N 3.08Å; M89-L92 CarbonylContact O-C 3.59Å; M89-L92 PolarHBondContact O-N 3.41Å; S90-L92 VanDerWaalsContact C-N 3.35Å; S90-L92 PolarHBondContact O-N 3.24Å; L92-I95 PolarHBondContact O-N 3.07Å; L92-L96 HydrophobicContact CD2-CD1 4.47Å; L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 3.25Å; L92-M187 HydrophobicContact CD1-CE 3.98Å
93	E	36.8	Very low	39.7	Very low	100 Å²	100	79.4 Å²	79.4	47%	0.467	43%	0.428	S	S	.	.	H	α-helix	trans	-62.2	-45.5	168.7	-69.7	179.4	144.9	0	0	110.9	M89 S90 I95 L96 S97	M89-E93 WeakPolarHBondContact O-CG 3.1Å; M89-E93 PolarHBondContact O-N 3.27Å; S90-E93 PolarHBondContact O-N 3.21Å; E93-I95 PolarHBondContact O-N 2.97Å; E93-L96 PolarHBondContact O-N 2.98Å; E93-S97 WeakPolarHBondContact O-CB 3.49Å; E93-S97 PolarHBondContact O-N 3.48Å; E93-S97 PolarHBondContact O-OG 2.78Å
94	D	38.7	Very low	39.9	Very low	97 Å²	97	74.2 Å²	74.2	52%	0.519	40%	0.403	S	S	.	.	H	α-helix	trans	-56.7	-50.4	172.4	-69	-24.4	0	0	0	110.6	S90 L96 S97 D98	S90-D94 WeakPolarHBondContact O-CB 3.45Å; S90-D94 PolarHBondContact O-N 3.27Å; D94-L96 VanDerWaalsContact C-N 3.26Å; D94-L96 PolarHBondContact O-N 3.1Å; D94-S97 PolarHBondContact O-OG 2.8Å; D94-D98 WeakPolarHBondContact O-CB 3.45Å; D94-D98 PolarHBondContact O-N 2.83Å
95	I	42.8	Very low	40.3	Very low	100 Å²	100	70.6 Å²	70.6	51%	0.513	39%	0.386	S	S	.	.	H	α-helix	trans	-61.4	-29.9	179.9	-74.4	165.7	0	0	0	113	K91 L92 E93 I99	K91-I95 WeakPolarHBondContact O-CB 3.26Å; K91-I95 VanDerWaalsContact O-CD1 3.26Å; K91-I95 WeakPolarHBondContact O-CD1 3.2Å; K91-I95 WeakPolarHBondContact O-CG1 3.15Å; K91-I95 PolarHBondContact O-N 2.95Å; L92-I95 PolarHBondContact O-N 3.07Å; E93-I95 PolarHBondContact O-N 2.97Å; I95-I99 WeakPolarHBondContact O-CD1 3.49Å; I95-I99 WeakPolarHBondContact O-CG1 3.34Å
96	L	41.9	Very low	41	Very low	54 Å²	54	73.2 Å²	73.2	28%	0.283	40%	0.397	S	S	.	.	H	α-helix	trans	-102.8	-25.3	-174.6	-66.7	169.3	0	0	0	113.5	L92 E93 D94 I99 W180	L92-L96 HydrophobicContact CD2-CD1 4.47Å; L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 3.25Å; E93-L96 PolarHBondContact O-N 2.98Å; D94-L96 VanDerWaalsContact C-N 3.26Å; D94-L96 PolarHBondContact O-N 3.1Å; L96-I99 HydrophobicContact CD2-CD1 4.39Å; L96-I99 PolarHBondContact O-N 3.04Å; L96-W180 HydrophobicContact CD1-CE3 4.41Å; L96-W180 HydrophobicContact CD1-CH2 3.07Å; L96-W180 HydrophobicContact CD1-CZ2 3.6Å; L96-W180 HydrophobicContact CD1-CZ3 3.54Å
97	S	37.5	Very low	41.5	Very low	93 Å²	93	73.3 Å²	73.3	65%	0.65	40%	0.403	S	S	*	.	H	α-helix	trans	-73.4	-30.8	172	59.1	0	0	0	0	112.3	E93 D94 I99	E93-S97 WeakPolarHBondContact O-CB 3.49Å; E93-S97 PolarHBondContact O-N 3.48Å; E93-S97 PolarHBondContact O-OG 2.78Å; D94-S97 PolarHBondContact O-OG 2.8Å; S97-I99 VanDerWaalsContact C-N 3.26Å; S97-I99 PolarHBondContact O-N 3.12Å
98	D	39.1	Very low	41.8	Very low	144 Å²	144	74 Å²	74	77%	0.77	41%	0.405	S	S	*	.	S	Bend	trans	-73.5	-15.1	169.2	-83.1	-14.6	0	0	0	113	D94 S100	D94-D98 WeakPolarHBondContact O-CB 3.45Å; D94-D98 PolarHBondContact O-N 2.83Å; D98-S100 PolarHBondContact O-N 3.44Å
99	I	41.4	Very low	42	Very low	50 Å²	50	79.8 Å²	79.8	26%	0.256	43%	0.427	S	S	.	.			trans	-88.6	88.7	177.8	-67.6	175.6	0	0	0	109.6	I95 L96 S97 L101 F144	I95-I99 WeakPolarHBondContact O-CD1 3.49Å; I95-I99 WeakPolarHBondContact O-CG1 3.34Å; L96-I99 HydrophobicContact CD2-CD1 4.39Å; L96-I99 PolarHBondContact O-N 3.04Å; S97-I99 VanDerWaalsContact C-N 3.26Å; S97-I99 PolarHBondContact O-N 3.12Å; I99-L101 PolarHBondContact O-N 2.78Å; I99-F144 HydrophobicContact CD1-CZ 3.95Å; I99-F144 HydrophobicContact CG2-CZ 4.38Å
100	S	42.5	Very low	42	Very low	64 Å²	64	83.6 Å²	83.6	45%	0.448	45%	0.453	S	S	.	.			trans	-49.4	138.7	157.6	171.8	0	0	0	0	109.9	D98 S102 T103	D98-S100 PolarHBondContact O-N 3.44Å; S100-S102 PolarHBondContact O-N 3.47Å; S100-S102 VanDerWaalsContact O-N 3.1Å; S100-S102 WeakPolarHBondContact OG-CB 3.41Å; S100-S102 PolarHBondContact OG-N 2.67Å; S100-S102 PolarHBondContact OG-OG 2.75Å; S100-T103 WeakPolarHBondContact O-CA 3.41Å; S100-T103 WeakPolarHBondContact O-CB 3.48Å; S100-T103 PolarHBondContact O-N 2.95Å; S100-T103 PolarHBondContact O-OG1 2.82Å
101	L	42.5	Very low	41.9	Very low	44 Å²	44	86.8 Å²	86.8	23%	0.23	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-58.9	-24.6	176	-64.1	120.1	0	0	0	112.5	I99 T103 F104 L172 D173 F176	I99-L101 PolarHBondContact O-N 2.78Å; L101-T103 PolarHBondContact O-N 3.44Å; L101-F104 WeakPolarHBondContact O-CB 3.15Å; L101-F104 PolarHBondContact O-N 3.26Å; L101-L172 HydrophobicContact CD2-CB 3.81Å; L101-D173 WeakPolarHBondContact CD1-OD1 3.44Å; L101-F176 HydrophobicContact CD2-CD2 4.05Å; L101-F176 HydrophobicContact CD2-CE2 4.21Å
102	S	45.5	Very low	41.4	Very low	73 Å²	73	88.9 Å²	88.9	51%	0.51	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-62.3	-7.1	169.7	75.6	0	0	0	0	114.3	S100 W105	S100-S102 PolarHBondContact O-N 3.47Å; S100-S102 VanDerWaalsContact O-N 3.1Å; S100-S102 WeakPolarHBondContact OG-CB 3.41Å; S100-S102 PolarHBondContact OG-N 2.67Å; S100-S102 PolarHBondContact OG-OG 2.75Å; S102-W105 VanDerWaalsContact O-O 3.13Å
103	T	52.7	Low	41	Very low	55 Å²	55	95.8 Å²	95.8	34%	0.337	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-102.8	-14.2	175.2	-23.6	0	0	0	0	111.7	S100 L101 W105 H141	S100-T103 WeakPolarHBondContact O-CA 3.41Å; S100-T103 WeakPolarHBondContact O-CB 3.48Å; S100-T103 PolarHBondContact O-N 2.95Å; S100-T103 PolarHBondContact O-OG1 2.82Å; L101-T103 PolarHBondContact O-N 3.44Å; T103-W105 VanDerWaalsContact C-N 3.33Å; T103-H141 WeakPolarHBondContact O-CB 3.06Å; T103-H141 PolarHBondContact O-CD2 3.4Å; T103-H141 VanDerWaalsContact O-CG 3.26Å
104	F	48.5	Very low	40.7	Very low	4 Å²	4	101.2 Å²	101.2	2%	0.018	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-30.5	172.5	-151	-93	0	0	0	111.1	L101 L140 H141 F144 W149 A150 L172 F176	L101-F104 WeakPolarHBondContact O-CB 3.15Å; L101-F104 PolarHBondContact O-N 3.26Å; F104-L140 HydrophobicContact CD1-CD1 3.96Å; F104-L140 HydrophobicContact CE1-CD1 3.49Å; F104-L140 VanDerWaalsContact CE1-CD1 3.49Å; F104-L140 HydrophobicContact CZ-CD1 3.94Å; F104-H141 PolarHBondContact O-N 3.48Å; F104-F144 AromaticContact CD2-CD2 3.57Å; F104-F144 HydrophobicContact CD2-CD2 3.57Å; F104-F144 HydrophobicContact CD2-CE1 4.42Å; F104-F144 AromaticContact CD2-CE2 3.3Å; F104-F144 HydrophobicContact CD2-CE2 3.3Å; F104-F144 HydrophobicContact CD2-CG 4.27Å; F104-F144 AromaticContact CD2-CZ 3.77Å; F104-F144 HydrophobicContact CD2-CZ 3.77Å; F104-F144 AromaticContact CE2-CD1 3.97Å; F104-F144 HydrophobicContact CE2-CD1 3.97Å; F104-F144 AromaticContact CE2-CD2 3.56Å; F104-F144 HydrophobicContact CE2-CD2 3.56Å; F104-F144 AromaticContact CE2-CE1 3.97Å; F104-F144 HydrophobicContact CE2-CE1 3.97Å; F104-F144 AromaticContact CE2-CE2 3.59Å; F104-F144 HydrophobicContact CE2-CE2 3.59Å; F104-F144 AromaticContact CE2-CG 3.78Å; F104-F144 HydrophobicContact CE2-CG 3.78Å; F104-F144 AromaticContact CE2-CZ 3.79Å; F104-F144 HydrophobicContact CE2-CZ 3.79Å; F104-F144 HydrophobicContact CG-CD2 4.23Å; F104-F144 HydrophobicContact CG-CE2 4.17Å; F104-F144 HydrophobicContact CZ-CD2 4.25Å; F104-F144 HydrophobicContact CZ-CG 4.25Å; F104-W149 HydrophobicContact CZ-CZ3 4.46Å; F104-A150 HydrophobicContact CZ-CB 4.14Å; F104-L172 HydrophobicContact CB-CD1 4.31Å; F104-L172 HydrophobicContact CD1-CD1 3.43Å; F104-L172 VanDerWaalsContact CD1-CD1 3.43Å; F104-L172 HydrophobicContact CE1-CD1 3.92Å; F104-L172 HydrophobicContact CE1-CD2 4.43Å; F104-L172 HydrophobicContact CG-CD1 3.98Å; F104-F176 HydrophobicContact CD2-CE2 4.46Å; F104-F176 HydrophobicContact CD2-CZ 4.14Å; F104-F176 HydrophobicContact CE2-CE2 4.4Å; F104-F176 AromaticContact CE2-CZ 3.71Å; F104-F176 HydrophobicContact CE2-CZ 3.71Å; F104-F176 HydrophobicContact CZ-CZ 4.09Å
105	W	49.2	Very low	40.2	Very low	18 Å²	18	105.2 Å²	105.2	7%	0.068	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127	178.6	-54.2	101.9	0	0	0	111.1	S102 T103 P107 A138 F154 S157 M158 P168 L172	S102-W105 VanDerWaalsContact O-O 3.13Å; T103-W105 VanDerWaalsContact C-N 3.33Å; W105-P107 VanDerWaalsContact O-CD 3.32Å; W105-P107 WeakPolarHBondContact O-CD 3.29Å; W105-A138 HydrophobicContact CD2-CB 4.23Å; W105-A138 HydrophobicContact CE3-CB 3.39Å; W105-A138 HydrophobicContact CZ3-CB 3.89Å; W105-F154 AromaticContact CE3-CD2 3.89Å; W105-F154 HydrophobicContact CE3-CD2 3.89Å; W105-F154 AromaticContact CE3-CE2 3.42Å; W105-F154 HydrophobicContact CE3-CE2 3.42Å; W105-F154 VanDerWaalsContact CE3-CE2 3.42Å; W105-F154 HydrophobicContact CE3-CZ 4.37Å; W105-F154 AromaticContact CH2-CD2 3.87Å; W105-F154 HydrophobicContact CH2-CD2 3.87Å; W105-F154 HydrophobicContact CH2-CE2 4.01Å; W105-F154 AromaticContact CZ3-CD2 3.36Å; W105-F154 HydrophobicContact CZ3-CD2 3.36Å; W105-F154 AromaticContact CZ3-CE2 3.05Å; W105-F154 HydrophobicContact CZ3-CE2 3.05Å; W105-F154 HydrophobicContact CZ3-CG 4.35Å; W105-F154 AromaticContact CZ3-CZ 3.81Å; W105-F154 HydrophobicContact CZ3-CZ 3.81Å; W105-S157 WeakPolarHBondContact CH2-OG 3.33Å; W105-M158 HydrophobicContact CE3-CE 4.37Å; W105-M158 HydrophobicContact CH2-CE 3.57Å; W105-M158 HydrophobicContact CH2-CG 4.25Å; W105-M158 HydrophobicContact CZ3-CE 3.42Å; W105-M158 VanDerWaalsContact CZ3-CE 3.42Å; W105-M158 HydrophobicContact CZ3-CG 4.3Å; W105-P168 HydrophobicContact CH2-CB 3.73Å; W105-P168 HydrophobicContact CZ2-CB 3.28Å; W105-P168 HydrophobicContact CZ2-CG 4.5Å; W105-L172 HydrophobicContact CZ2-CD1 3.6Å; W105-L172 HydrophobicContact CZ2-CG 4.04Å; W105-L172 VanDerWaalsContact NE1-CD1 3.32Å
106	E	48.8	Very low	39.7	Very low	86 Å²	86	105.4 Å²	105.4	40%	0.402	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115	161.5	-74.8	-168.5	124.7	0	0	110.4	F108 K139	E106-F108 PolarHBondContact O-N 3.2Å; E106-K139 PolarHBondContact N-O 3.16Å; E106-K139 VanDerWaalsContact N-O 3.11Å; E106-K139 PolarHBondContact O-N 2.96Å
107	P	45.7	Very low	39	Very low	108 Å²	108	112.2 Å²	112.2	70%	0.701	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.4	117	169.8	28.9	-32.4	0	0	0	110.3	W105 K109	W105-P107 VanDerWaalsContact O-CD 3.32Å; W105-P107 WeakPolarHBondContact O-CD 3.29Å; P107-K109 PolarHBondContact O-N 3.3Å; P107-K109 VanDerWaalsContact O-N 3.13Å
108	F	42.9	Very low	38.8	Very low	118 Å²	118	113.6 Å²	113.6	52%	0.518	58%	0.576	S	S	.	*			trans	-64.5	114.7	178	-99.6	-88.2	0	0	0	112.1	E106 T110 N137 K139	E106-F108 PolarHBondContact O-N 3.2Å; F108-T110 PolarHBondContact O-N 3.24Å; F108-T110 VanDerWaalsContact O-N 3.11Å; F108-N137 HydrophobicContact CB-CB 3.99Å; F108-N137 HydrophobicContact CD2-CB 4.48Å; F108-N137 PolarHBondContact N-O 3.08Å; F108-K139 HydrophobicContact CE2-CB 4.18Å; F108-K139 HydrophobicContact CE2-CD 4.22Å
109	K	41.2	Very low	38.3	Very low	188 Å²	188	117 Å²	117	82%	0.817	58%	0.583	S	S	*	*			trans	-64.2	110.4	163.6	-72.8	179.7	179.5	172.6	0	109.2	P107 T111	P107-K109 PolarHBondContact O-N 3.3Å; P107-K109 VanDerWaalsContact O-N 3.13Å; K109-T111 VanDerWaalsContact C-N 3.29Å; K109-T111 PolarHBondContact O-N 2.87Å; K109-T111 PolarHBondContact O-OG1 3.22Å
110	T	32.7	Very low	37.9	Very low	129 Å²	129	119.1 Å²	119.1	79%	0.791	60%	0.599	S	S	*	*			trans	-62.5	85.1	175.9	30.1	0	0	0	0	111.2	F108	F108-T110 PolarHBondContact O-N 3.24Å; F108-T110 VanDerWaalsContact O-N 3.11Å
111	T	32.8	Very low	37.3	Very low	126 Å²	126	121.4 Å²	121.4	77%	0.773	61%	0.612	S	S	*	*			trans	-88.3	108.5	172.7	-47.2	0	0	0	0	107.9	K109 R113	K109-T111 VanDerWaalsContact C-N 3.29Å; K109-T111 PolarHBondContact O-N 2.87Å; K109-T111 PolarHBondContact O-OG1 3.22Å; T111-R113 PolarHBondContact O-N 2.67Å
112	E	30.1	Very low	36.8	Very low	160 Å²	160	130.1 Å²	130.1	75%	0.748	64%	0.642	S	S	*	*			trans	-57.8	120.5	171.6	-62.7	-172.5	152.2	0	0	110
113	R	28.5	Very low	36.4	Very low	201 Å²	201	131.1 Å²	131.1	76%	0.758	64%	0.641	S	S	*	*				162.9	148.6	117.5	-91.1	161.6	179.8	-168.9	-2.7	115.3	T111	T111-R113 PolarHBondContact O-N 2.67Å
114	R	29.9	Very low	36	Very low	213 Å²	213	136.3 Å²	136.3	80%	0.804	66%	0.661	S	S	*	*			trans	68	107.7	152.7	-73	172.9	-178.9	-175	-0.8	117.1	T116	R114-T116 PolarHBondContact O-N 3.18Å
115	L	28	Very low	35.8	Very low	181 Å²	181	138.7 Å²	138.7	95%	0.948	67%	0.674	S	S	*	*			trans	-51.2	105.1	154.5	-72.4	158	0	0	0	110.4
116	T	32	Very low	35.5	Very low	105 Å²	105	142.9 Å²	142.9	64%	0.644	70%	0.695	S	S	*	*			trans	-123	117	153.5	42.4	0	0	0	0	106.8	R114 I118	R114-T116 PolarHBondContact O-N 3.18Å; T116-I118 VanDerWaalsContact C-N 3.33Å; T116-I118 PolarHBondContact O-N 3.31Å
117	E	27.5	Very low	35.4	Very low	197 Å²	197	145.2 Å²	145.2	92%	0.921	71%	0.708	S	S	*	*			trans	-67.1	88.7	178.5	-67.5	-176.7	145.2	0	0	110.4
118	I	32.4	Very low	35.4	Very low	122 Å²	122	144.1 Å²	144.1	63%	0.626	70%	0.703	S	S	*	*			trans	-92.3	106.5	170.8	-59.7	176.9	0	0	0	107.3	T116 T120	T116-I118 VanDerWaalsContact C-N 3.33Å; T116-I118 PolarHBondContact O-N 3.31Å; I118-T120 HydrophobicContact CG2-CG2 3.85Å; I118-T120 PolarHBondContact O-N 3.49Å; I118-T120 PolarHBondContact O-OG1 2.88Å
119	K	29.5	Very low	35.4	Very low	215 Å²	215	146.2 Å²	146.2	94%	0.935	71%	0.707	S	S	*	*			trans	-68.4	94.9	169.3	-71.8	-179.7	177.2	177.8	0	109
120	T	33.4	Very low	35.3	Very low	94 Å²	94	146 Å²	146	58%	0.577	71%	0.707	S	S	*	*			trans	-113.3	150.2	171.5	29.3	0	0	0	0	111.3	I118	I118-T120 HydrophobicContact CG2-CG2 3.85Å; I118-T120 PolarHBondContact O-N 3.49Å; I118-T120 PolarHBondContact O-OG1 2.88Å
121	P	29.5	Very low	35.7	Very low	112 Å²	112	143.7 Å²	143.7	73%	0.727	69%	0.69	S	S	*	*			trans	-75.5	146.2	-159.1	29.9	-36.2	0	0	0	113.6	I123	P121-I123 WeakPolarHBondContact O-CG1 3.23Å; P121-I123 PolarHBondContact O-N 2.77Å; P121-I123 VanDerWaalsContact O-N 3.12Å
122	R	31.5	Very low	36.4	Very low	227 Å²	227	146.9 Å²	146.9	86%	0.857	70%	0.695	S	S	*	*			trans	9.6	83.2	166.6	-72.3	-176.2	173.4	152.1	-4	115.6	E124	R122-E124 PolarHBondContact O-N 3.29Å
123	I	37.9	Very low	37	Very low	95 Å²	95	147 Å²	147	49%	0.487	70%	0.702	S	S	.	*			trans	-92	82	170.1	-45.2	177.3	0	0	0	108.7	P121 N125 M126	P121-I123 WeakPolarHBondContact O-CG1 3.23Å; P121-I123 PolarHBondContact O-N 2.77Å; P121-I123 VanDerWaalsContact O-N 3.12Å; I123-N125 PolarHBondContact O-N 3.16Å; I123-M126 HydrophobicContact CB-SD 4.5Å; I123-M126 HydrophobicContact CD1-SD 3.89Å; I123-M126 HydrophobicContact CG2-CB 3.74Å; I123-M126 HydrophobicContact CG2-CG 3.59Å; I123-M126 HydrophobicContact CG2-SD 3.81Å
124	E	44.1	Very low	37.5	Very low	164 Å²	164	140.3 Å²	140.3	77%	0.766	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-11.7	175.5	-71	174.4	179.6	0	0	112.5	R122	R122-E124 PolarHBondContact O-N 3.29Å
125	N	45	Very low	38	Very low	54 Å²	54	133.7 Å²	133.7	29%	0.289	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.8	35	-179.7	-67.1	-24.6	0	0	0	113.6	I123	I123-N125 PolarHBondContact O-N 3.16Å
126	M	43.4	Very low	38.9	Very low	105 Å²	105	128 Å²	128	52%	0.517	64%	0.641	S	S	.	*			trans	-128.1	113.7	170	-92.9	-179.3	65.7	0	0	110.9	I123	I123-M126 HydrophobicContact CB-SD 4.5Å; I123-M126 HydrophobicContact CD1-SD 3.89Å; I123-M126 HydrophobicContact CG2-CB 3.74Å; I123-M126 HydrophobicContact CG2-CG 3.59Å; I123-M126 HydrophobicContact CG2-SD 3.81Å
127	M	45.6	Very low	39.9	Very low	136 Å²	136	125.3 Å²	125.3	67%	0.67	62%	0.623	S	S	*	*			trans	-119	125.7	160.5	-65.5	-161.4	75	0	0	108.9
128	S	45.2	Very low	41.3	Very low	85 Å²	85	116.8 Å²	116.8	59%	0.594	59%	0.586	S	S	*	*			trans	-123.2	122.5	172.1	61.6	0	0	0	0	108.1	N137	S128-N137 WeakPolarHBondContact CB-OD1 3.47Å
129	R	42.7	Very low	42.7	Very low	161 Å²	161	114.1 Å²	114.1	61%	0.608	57%	0.57	S	S	*	*			trans	-130	142.4	173.2	-79.4	-174.3	170.3	166	-2.9	111	D162	R129-D162 IonicContact NH1-OD2 3.61Å
130	K	40.6	Very low	44.3	Very low	185 Å²	185	104.1 Å²	104.1	80%	0.804	53%	0.526	S	S	*	.			trans	-94.1	102.2	173.7	-70.3	179.8	176.2	-178.6	0	108.1	V135	K130-V135 HydrophobicContact CG-CG2 4.19Å
131	D	41	Very low	45.6	Very low	80 Å²	80	101.5 Å²	101.5	43%	0.428	51%	0.508	S	S	.	.	B	Isolated β-bridge	trans	-74.2	145.2	150.7	-96.3	12	0	0	0	108.4	N133 S134	D131-N133 PolarHBondContact O-N 3.12Å; D131-S134 WeakPolarHBondContact CB-O 3.25Å; D131-S134 PolarHBondContact O-N 3.13Å
132	E	46	Very low	47.1	Very low	192 Å²	192	99.1 Å²	99.1	90%	0.897	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-6.9	-169.6	-63.4	-172	140.6	0	0	114.6
133	N	42.6	Very low	48.3	Very low	164 Å²	164	93.5 Å²	93.5	88%	0.877	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	-4.1	176.2	-73.5	-64.1	0	0	0	115.9	D131	D131-N133 PolarHBondContact O-N 3.12Å
134	S	40.8	Very low	49.2	Very low	60 Å²	60	89.3 Å²	89.3	42%	0.42	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-159.9	124.8	176.3	55.2	0	0	0	0	112.7	D131	D131-S134 WeakPolarHBondContact CB-O 3.25Å; D131-S134 PolarHBondContact O-N 3.13Å
135	V	40.3	Very low	49.9	Very low	74 Å²	74	83.5 Å²	83.5	45%	0.448	43%	0.433	S	S	.	.			trans	-97	95.9	174.3	-175.6	0	0	0	0	108.9	K130 N137	K130-V135 HydrophobicContact CG-CG2 4.19Å; V135-N137 HydrophobicContact CG1-CB 4.38Å; V135-N137 VanDerWaalsContact CG1-CG 3.44Å; V135-N137 WeakPolarHBondContact CG1-ND2 3.1Å; V135-N137 WeakPolarHBondContact CG1-OD1 3.42Å; V135-N137 PolarHBondContact O-N 3.44Å
136	V	46.1	Very low	50.5	Low	61 Å²	61	87.6 Å²	87.6	37%	0.37	45%	0.451	S	S	.	.			trans	-79.1	78.8	170.7	-176.8	0	0	0	0	108.7	A138 Y161	V136-A138 VanDerWaalsContact C-N 3.35Å; V136-A138 HydrophobicContact CG1-CB 4.22Å; V136-A138 PolarHBondContact O-N 2.72Å; V136-A138 VanDerWaalsContact O-N 3.16Å; V136-Y161 HydrophobicContact CG2-CE1 4.43Å; V136-Y161 WeakPolarHBondContact CG2-OH 3.42Å
137	N	52.6	Low	50.9	Low	49 Å²	49	86.8 Å²	86.8	26%	0.262	45%	0.445	S	S	.	.			trans	-81.2	84.6	169	-79	-23.2	0	0	0	109	F108 S128 V135	F108-N137 HydrophobicContact CB-CB 3.99Å; F108-N137 HydrophobicContact CD2-CB 4.48Å; F108-N137 PolarHBondContact N-O 3.08Å; S128-N137 WeakPolarHBondContact CB-OD1 3.47Å; V135-N137 HydrophobicContact CG1-CB 4.38Å; V135-N137 VanDerWaalsContact CG1-CG 3.44Å; V135-N137 WeakPolarHBondContact CG1-ND2 3.1Å; V135-N137 WeakPolarHBondContact CG1-OD1 3.42Å; V135-N137 PolarHBondContact O-N 3.44Å
138	A	56.6	Low	51.2	Low	17 Å²	17	84.5 Å²	84.5	14%	0.14	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.2	174.5	0	0	0	0	0	110	W105 V136 M158	W105-A138 HydrophobicContact CD2-CB 4.23Å; W105-A138 HydrophobicContact CE3-CB 3.39Å; W105-A138 HydrophobicContact CZ3-CB 3.89Å; V136-A138 VanDerWaalsContact C-N 3.35Å; V136-A138 HydrophobicContact CG1-CB 4.22Å; V136-A138 PolarHBondContact O-N 2.72Å; V136-A138 VanDerWaalsContact O-N 3.16Å; A138-M158 HydrophobicContact CB-CE 4.26Å
139	K	63.1	Low	51.7	Low	67 Å²	67	84.6 Å²	84.6	29%	0.291	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.3	178.3	-174	-173	171.7	-166.2	0	109.6	E106 F108 H141 F154	E106-K139 PolarHBondContact N-O 3.16Å; E106-K139 VanDerWaalsContact N-O 3.11Å; E106-K139 PolarHBondContact O-N 2.96Å; F108-K139 HydrophobicContact CE2-CB 4.18Å; F108-K139 HydrophobicContact CE2-CD 4.22Å; K139-H141 PolarHBondContact O-N 2.87Å; K139-F154 VanDerWaalsContact C-CE2 3.47Å
140	L	62.1	Low	52.5	Low	4 Å²	4	76.9 Å²	76.9	2%	0.021	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	124.2	173.8	-176.9	57.1	0	0	0	108.7	F104 F144 A150 Q151 F154	F104-L140 HydrophobicContact CD1-CD1 3.96Å; F104-L140 HydrophobicContact CE1-CD1 3.49Å; F104-L140 VanDerWaalsContact CE1-CD1 3.49Å; F104-L140 HydrophobicContact CZ-CD1 3.94Å; L140-F144 HydrophobicContact CD1-CB 3.64Å; L140-F144 HydrophobicContact CD1-CD2 4.48Å; L140-F144 HydrophobicContact CD1-CG 4.44Å; L140-F144 HydrophobicContact CD2-CB 4.27Å; L140-F144 HydrophobicContact CG-CB 3.91Å; L140-A150 HydrophobicContact CD1-CB 4.47Å; L140-A150 HydrophobicContact CD2-CB 4.31Å; L140-Q151 HydrophobicContact CD2-CG 4.13Å; L140-F154 HydrophobicContact CB-CB 4.44Å; L140-F154 HydrophobicContact CB-CD1 4.45Å; L140-F154 HydrophobicContact CB-CD2 3.54Å; L140-F154 HydrophobicContact CB-CE2 3.77Å; L140-F154 HydrophobicContact CB-CG 3.9Å; L140-F154 HydrophobicContact CB-CZ 4.36Å; L140-F154 HydrophobicContact CD1-CB 4.15Å; L140-F154 HydrophobicContact CD1-CD2 3.95Å; L140-F154 HydrophobicContact CD1-CG 4.34Å; L140-F154 HydrophobicContact CD2-CB 4.22Å; L140-F154 HydrophobicContact CG-CD2 4.27Å; L140-F154 HydrophobicContact CG-CG 4.48Å
141	H	61.6	Low	53.4	Low	40 Å²	40	71.6 Å²	71.6	19%	0.185	38%	0.378	C	S	.	.			trans	-55.8	138	-178.5	-171.3	-92.4	0	0	0	111	T103 F104 K139 I143 F144 S145	T103-H141 WeakPolarHBondContact O-CB 3.06Å; T103-H141 PolarHBondContact O-CD2 3.4Å; T103-H141 VanDerWaalsContact O-CG 3.26Å; F104-H141 PolarHBondContact O-N 3.48Å; K139-H141 PolarHBondContact O-N 2.87Å; H141-I143 VanDerWaalsContact CE1-CD1 3.46Å; H141-I143 WeakPolarHBondContact CE1-CD1 3.48Å; H141-I143 PolarHBondContact O-N 3.28Å; H141-F144 HydrophobicContact CB-CD2 4.04Å; H141-F144 PolarHBondContact O-N 3.39Å; H141-S145 PolarHBondContact O-N 2.89Å
142	P	60.3	Low	54.3	Low	62 Å²	62	71.4 Å²	71.4	40%	0.403	38%	0.383	S	S	.	.	H	α-helix	trans	-52.2	-36.5	-172	-30.9	36.3	0	0	0	115.3	F144 S145	P142-F144 PolarHBondContact O-N 3.48Å; P142-F144 VanDerWaalsContact O-N 3.16Å; P142-S145 WeakPolarHBondContact O-CB 3.39Å; P142-S145 PolarHBondContact O-N 3.49Å; P142-S145 PolarHBondContact O-OG 2.92Å
143	I	56	Low	55	Low	108 Å²	108	62.9 Å²	62.9	55%	0.554	34%	0.344	S	S	*	.	H	α-helix	trans	-54.9	-31.8	175.5	-67	171.2	0	0	0	112.9	H141	H141-I143 VanDerWaalsContact CE1-CD1 3.46Å; H141-I143 WeakPolarHBondContact CE1-CD1 3.48Å; H141-I143 PolarHBondContact O-N 3.28Å
144	F	56.9	Low	56.1	Low	7 Å²	7	56.1 Å²	56.1	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-94.9	-12.9	179.4	-62.4	-60.4	0	0	0	113	I99 F104 L140 H141 P142 E146 K147 W149 A150	I99-F144 HydrophobicContact CD1-CZ 3.95Å; I99-F144 HydrophobicContact CG2-CZ 4.38Å; F104-F144 AromaticContact CD2-CD2 3.57Å; F104-F144 HydrophobicContact CD2-CD2 3.57Å; F104-F144 HydrophobicContact CD2-CE1 4.42Å; F104-F144 AromaticContact CD2-CE2 3.3Å; F104-F144 HydrophobicContact CD2-CE2 3.3Å; F104-F144 HydrophobicContact CD2-CG 4.27Å; F104-F144 AromaticContact CD2-CZ 3.77Å; F104-F144 HydrophobicContact CD2-CZ 3.77Å; F104-F144 AromaticContact CE2-CD1 3.97Å; F104-F144 HydrophobicContact CE2-CD1 3.97Å; F104-F144 AromaticContact CE2-CD2 3.56Å; F104-F144 HydrophobicContact CE2-CD2 3.56Å; F104-F144 AromaticContact CE2-CE1 3.97Å; F104-F144 HydrophobicContact CE2-CE1 3.97Å; F104-F144 AromaticContact CE2-CE2 3.59Å; F104-F144 HydrophobicContact CE2-CE2 3.59Å; F104-F144 AromaticContact CE2-CG 3.78Å; F104-F144 HydrophobicContact CE2-CG 3.78Å; F104-F144 AromaticContact CE2-CZ 3.79Å; F104-F144 HydrophobicContact CE2-CZ 3.79Å; F104-F144 HydrophobicContact CG-CD2 4.23Å; F104-F144 HydrophobicContact CG-CE2 4.17Å; F104-F144 HydrophobicContact CZ-CD2 4.25Å; F104-F144 HydrophobicContact CZ-CG 4.25Å; L140-F144 HydrophobicContact CD1-CB 3.64Å; L140-F144 HydrophobicContact CD1-CD2 4.48Å; L140-F144 HydrophobicContact CD1-CG 4.44Å; L140-F144 HydrophobicContact CD2-CB 4.27Å; L140-F144 HydrophobicContact CG-CB 3.91Å; H141-F144 HydrophobicContact CB-CD2 4.04Å; H141-F144 PolarHBondContact O-N 3.39Å; P142-F144 PolarHBondContact O-N 3.48Å; P142-F144 VanDerWaalsContact O-N 3.16Å; F144-E146 VanDerWaalsContact C-N 3.26Å; F144-E146 PolarHBondContact O-N 3.36Å; F144-K147 HydrophobicContact CD1-CD 4.39Å; F144-K147 WeakPolarHBondContact O-CB 3.39Å; F144-K147 PolarHBondContact O-N 3.11Å; F144-W149 HydrophobicContact CD1-CH2 4.01Å; F144-W149 HydrophobicContact CD1-CZ2 4.38Å; F144-W149 HydrophobicContact CE1-CH2 4.11Å; F144-A150 HydrophobicContact CB-CB 3.73Å; F144-A150 HydrophobicContact CD1-CB 4.4Å; F144-A150 HydrophobicContact CG-CB 4.37Å
145	S	59.2	Low	57.4	Low	42 Å²	42	60 Å²	60	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-65.8	-24.6	-175.2	72	0	0	0	0	114.1	H141 P142 K147 Q151	H141-S145 PolarHBondContact O-N 2.89Å; P142-S145 WeakPolarHBondContact O-CB 3.39Å; P142-S145 PolarHBondContact O-N 3.49Å; P142-S145 PolarHBondContact O-OG 2.92Å; S145-K147 VanDerWaalsContact C-N 3.32Å; S145-Q151 PolarHBondContact O-NE2 3.06Å
146	E	57.1	Low	58.4	Low	140 Å²	140	58.8 Å²	58.8	65%	0.654	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.2	173.3	-60.4	-175	165.3	0	0	113.3	F144 Y258	F144-E146 VanDerWaalsContact C-N 3.26Å; F144-E146 PolarHBondContact O-N 3.36Å; E146-Y258 PolarHBondContact OE1-OH 3.14Å
147	K	52.8	Low	59.1	Low	89 Å²	89	55.9 Å²	55.9	39%	0.387	29%	0.288	S	S	.	.			trans	-98.5	110.4	-172.4	-57.7	-171.3	-174.6	-176.6	0	110.3	F144 S145 W149 A150 Q151	F144-K147 HydrophobicContact CD1-CD 4.39Å; F144-K147 WeakPolarHBondContact O-CB 3.39Å; F144-K147 PolarHBondContact O-N 3.11Å; S145-K147 VanDerWaalsContact C-N 3.32Å; K147-W149 VanDerWaalsContact C-N 3.26Å; K147-W149 HydrophobicContact CB-CD2 4.47Å; K147-W149 HydrophobicContact CB-CZ2 4.42Å; K147-W149 HydrophobicContact CD-CZ2 3.54Å; K147-W149 PolarHBondContact O-N 2.94Å; K147-A150 HydrophobicContact CB-CB 4.07Å; K147-A150 PolarHBondContact O-N 3.22Å; K147-Q151 PolarHBondContact O-N 3.28Å; K147-Q151 VanDerWaalsContact O-N 3.11Å
148	S	51	Low	59.7	Low	87 Å²	87	55.3 Å²	55.3	61%	0.608	28%	0.284	S	S	*	.	H	α-helix	trans	-53.8	-39.7	-179.9	55.4	0	0	0	0	113.3	A150 Q151 S152	S148-A150 VanDerWaalsContact C-N 3.31Å; S148-A150 PolarHBondContact O-N 3.31Å; S148-Q151 PolarHBondContact O-N 3.08Å; S148-S152 PolarHBondContact O-N 3.27Å; S148-S152 PolarHBondContact O-OG 3.41Å
149	W	57.4	Low	60	Low	87 Å²	87	58 Å²	58	33%	0.33	30%	0.296	S	S	.	.	H	α-helix	trans	-61.4	-38.7	175.4	64.8	-102.2	0	0	0	112.4	F104 F144 K147 S152 L153 F176	F104-W149 HydrophobicContact CZ-CZ3 4.46Å; F144-W149 HydrophobicContact CD1-CH2 4.01Å; F144-W149 HydrophobicContact CD1-CZ2 4.38Å; F144-W149 HydrophobicContact CE1-CH2 4.11Å; K147-W149 VanDerWaalsContact C-N 3.26Å; K147-W149 HydrophobicContact CB-CD2 4.47Å; K147-W149 HydrophobicContact CB-CZ2 4.42Å; K147-W149 HydrophobicContact CD-CZ2 3.54Å; K147-W149 PolarHBondContact O-N 2.94Å; W149-S152 WeakPolarHBondContact O-CB 3.17Å; W149-S152 PolarHBondContact O-N 3.48Å; W149-L153 HydrophobicContact CE3-CD1 3.62Å; W149-L153 HydrophobicContact CE3-CG 4.34Å; W149-L153 HydrophobicContact CZ3-CD1 3.73Å; W149-L153 WeakPolarHBondContact O-CG 3.39Å; W149-L153 PolarHBondContact O-N 2.98Å; W149-F176 HydrophobicContact CZ3-CE1 4.44Å
150	A	57.5	Low	59.8	Low	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-75.7	-31.7	-178.3	0	0	0	0	0	111.8	F104 L140 F144 K147 S148 S152 L153 F154	F104-A150 HydrophobicContact CZ-CB 4.14Å; L140-A150 HydrophobicContact CD1-CB 4.47Å; L140-A150 HydrophobicContact CD2-CB 4.31Å; F144-A150 HydrophobicContact CB-CB 3.73Å; F144-A150 HydrophobicContact CD1-CB 4.4Å; F144-A150 HydrophobicContact CG-CB 4.37Å; K147-A150 HydrophobicContact CB-CB 4.07Å; K147-A150 PolarHBondContact O-N 3.22Å; S148-A150 VanDerWaalsContact C-N 3.31Å; S148-A150 PolarHBondContact O-N 3.31Å; A150-S152 VanDerWaalsContact C-N 3.34Å; A150-L153 PolarHBondContact O-N 3.02Å; A150-F154 WeakPolarHBondContact O-CB 3.46Å; A150-F154 PolarHBondContact O-N 3.07Å
151	Q	60.1	Low	59.7	Low	73 Å²	73	57.9 Å²	57.9	34%	0.341	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-43.4	167.9	-63.7	178.9	-5.5	0	0	111.2	L140 S145 K147 S148 F154 K155	L140-Q151 HydrophobicContact CD2-CG 4.13Å; S145-Q151 PolarHBondContact O-NE2 3.06Å; K147-Q151 PolarHBondContact O-N 3.28Å; K147-Q151 VanDerWaalsContact O-N 3.11Å; S148-Q151 PolarHBondContact O-N 3.08Å; Q151-F154 PolarHBondContact O-N 3.38Å; Q151-K155 WeakPolarHBondContact O-CB 3.22Å; Q151-K155 PolarHBondContact O-N 2.98Å
152	S	59.3	Low	59.6	Low	76 Å²	76	60.6 Å²	60.6	53%	0.531	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-49	174.6	-63.3	0	0	0	0	112.3	S148 W149 A150 F154 K155 E156	S148-S152 PolarHBondContact O-N 3.27Å; S148-S152 PolarHBondContact O-OG 3.41Å; W149-S152 WeakPolarHBondContact O-CB 3.17Å; W149-S152 PolarHBondContact O-N 3.48Å; A150-S152 VanDerWaalsContact C-N 3.34Å; S152-F154 VanDerWaalsContact C-N 3.33Å; S152-F154 PolarHBondContact O-N 3.38Å; S152-K155 PolarHBondContact O-N 3.23Å; S152-E156 WeakPolarHBondContact O-CB 3.46Å; S152-E156 PolarHBondContact O-N 3.34Å
153	L	61.7	Low	59.4	Low	13 Å²	13	61.5 Å²	61.5	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-40.1	176.8	-69.6	-175.6	0	0	0	112.9	W149 A150 E156 S157 L172 H175 F176 I179	W149-L153 HydrophobicContact CE3-CD1 3.62Å; W149-L153 HydrophobicContact CE3-CG 4.34Å; W149-L153 HydrophobicContact CZ3-CD1 3.73Å; W149-L153 WeakPolarHBondContact O-CG 3.39Å; W149-L153 PolarHBondContact O-N 2.98Å; A150-L153 PolarHBondContact O-N 3.02Å; L153-E156 PolarHBondContact O-N 2.93Å; L153-S157 WeakPolarHBondContact O-CB 3.32Å; L153-S157 PolarHBondContact O-N 3.15Å; L153-S157 PolarHBondContact O-OG 3.29Å; L153-L172 HydrophobicContact CB-CD2 4.32Å; L153-H175 HydrophobicContact CD2-CB 4.48Å; L153-H175 VanDerWaalsContact CD2-CE1 3.44Å; L153-H175 WeakPolarHBondContact CD2-CE1 3.24Å; L153-H175 WeakPolarHBondContact CD2-ND1 3.39Å; L153-F176 HydrophobicContact CD1-CE1 4.18Å; L153-F176 HydrophobicContact CD1-CZ 4.32Å; L153-I179 HydrophobicContact CD2-CD1 4.42Å
154	F	65.7	Low	59.5	Low	22 Å²	22	63 Å²	63	10%	0.096	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-43	176.6	-179.2	-89.4	0	0	0	111.7	W105 K139 L140 A150 Q151 S152 S157 M158	W105-F154 AromaticContact CE3-CD2 3.89Å; W105-F154 HydrophobicContact CE3-CD2 3.89Å; W105-F154 AromaticContact CE3-CE2 3.42Å; W105-F154 HydrophobicContact CE3-CE2 3.42Å; W105-F154 VanDerWaalsContact CE3-CE2 3.42Å; W105-F154 HydrophobicContact CE3-CZ 4.37Å; W105-F154 AromaticContact CH2-CD2 3.87Å; W105-F154 HydrophobicContact CH2-CD2 3.87Å; W105-F154 HydrophobicContact CH2-CE2 4.01Å; W105-F154 AromaticContact CZ3-CD2 3.36Å; W105-F154 HydrophobicContact CZ3-CD2 3.36Å; W105-F154 AromaticContact CZ3-CE2 3.05Å; W105-F154 HydrophobicContact CZ3-CE2 3.05Å; W105-F154 HydrophobicContact CZ3-CG 4.35Å; W105-F154 AromaticContact CZ3-CZ 3.81Å; W105-F154 HydrophobicContact CZ3-CZ 3.81Å; K139-F154 VanDerWaalsContact C-CE2 3.47Å; L140-F154 HydrophobicContact CB-CB 4.44Å; L140-F154 HydrophobicContact CB-CD1 4.45Å; L140-F154 HydrophobicContact CB-CD2 3.54Å; L140-F154 HydrophobicContact CB-CE2 3.77Å; L140-F154 HydrophobicContact CB-CG 3.9Å; L140-F154 HydrophobicContact CB-CZ 4.36Å; L140-F154 HydrophobicContact CD1-CB 4.15Å; L140-F154 HydrophobicContact CD1-CD2 3.95Å; L140-F154 HydrophobicContact CD1-CG 4.34Å; L140-F154 HydrophobicContact CD2-CB 4.22Å; L140-F154 HydrophobicContact CG-CD2 4.27Å; L140-F154 HydrophobicContact CG-CG 4.48Å; A150-F154 WeakPolarHBondContact O-CB 3.46Å; A150-F154 PolarHBondContact O-N 3.07Å; Q151-F154 PolarHBondContact O-N 3.38Å; S152-F154 VanDerWaalsContact C-N 3.33Å; S152-F154 PolarHBondContact O-N 3.38Å; F154-S157 WeakPolarHBondContact CA-OG 3.35Å; F154-S157 PolarHBondContact O-OG 3.34Å; F154-M158 HydrophobicContact CE1-CG 4.26Å; F154-M158 WeakPolarHBondContact O-CB 3.37Å; F154-M158 WeakPolarHBondContact O-CG 3.36Å; F154-M158 PolarHBondContact O-N 3.05Å
155	K	67.4	Low	59.6	Low	141 Å²	141	70.1 Å²	70.1	61%	0.613	34%	0.342	S	S	*	.	H	α-helix	trans	-64.5	-41	175	-174	-177.2	178.4	-171.1	0	111.5	Q151 S152 N159	Q151-K155 WeakPolarHBondContact O-CB 3.22Å; Q151-K155 PolarHBondContact O-N 2.98Å; S152-K155 PolarHBondContact O-N 3.23Å; K155-N159 PolarHBondContact O-N 2.92Å; K155-N159 PolarHBondContact O-OD1 3.34Å
156	E	61.3	Low	59.4	Low	49 Å²	49	72.1 Å²	72.1	23%	0.229	35%	0.347	C	S	.	.	H	α-helix	trans	-69	-46.9	-179.7	-167.6	173.4	168.2	0	0	112.3	S152 L153 M158 N159 C160 H175 Q403	S152-E156 WeakPolarHBondContact O-CB 3.46Å; S152-E156 PolarHBondContact O-N 3.34Å; L153-E156 PolarHBondContact O-N 2.93Å; E156-M158 VanDerWaalsContact C-N 3.29Å; E156-M158 PolarHBondContact O-N 3.46Å; E156-N159 WeakPolarHBondContact O-CB 3.44Å; E156-N159 PolarHBondContact O-N 3.28Å; E156-N159 VanDerWaalsContact O-N 3.15Å; E156-C160 PolarHBondContact O-N 3.47Å; E156-H175 IonicContact OE1-CD2 2.7Å; E156-H175 IonicContact OE1-CE1 3.56Å; E156-H175 IonicContact OE1-NE2 3.33Å; E156-H175 PolarHBondContact OE1-NE2 2.7Å; E156-H175 IonicContact OE2-CE1 3.45Å; E156-H175 PolarHBondContact OE2-CE1 2.8Å; E156-H175 VanDerWaalsContact OE2-CE1 3.23Å; E156-H175 IonicContact OE2-NE2 3.88Å; E156-H175 PolarHBondContact OE2-NE2 2.92Å; E156-H175 VanDerWaalsContact OE2-NE2 3.12Å; E156-Q403 VanDerWaalsContact CG-NE2 3.33Å; E156-Q403 PolarHBondContact OE1-NE2 3.11Å
157	S	62.4	Low	59.6	Low	1 Å²	1	69.1 Å²	69.1	1%	0.007	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-33.4	174.7	50.6	0	0	0	0	113.1	W105 L153 F154 Y161	W105-S157 WeakPolarHBondContact CH2-OG 3.33Å; L153-S157 WeakPolarHBondContact O-CB 3.32Å; L153-S157 PolarHBondContact O-N 3.15Å; L153-S157 PolarHBondContact O-OG 3.29Å; F154-S157 WeakPolarHBondContact CA-OG 3.35Å; F154-S157 PolarHBondContact O-OG 3.34Å; S157-Y161 WeakPolarHBondContact O-CB 3.49Å; S157-Y161 PolarHBondContact O-N 3.32Å
158	M	65.1	Low	59.6	Low	36 Å²	36	65.4 Å²	65.4	18%	0.177	32%	0.32	C	S	.	.	H	α-helix	trans	-68.7	-42.3	169.8	-78.9	-75.4	122.9	0	0	112.9	W105 A138 F154 E156 C160 Y161 D162 P168	W105-M158 HydrophobicContact CE3-CE 4.37Å; W105-M158 HydrophobicContact CH2-CE 3.57Å; W105-M158 HydrophobicContact CH2-CG 4.25Å; W105-M158 HydrophobicContact CZ3-CE 3.42Å; W105-M158 VanDerWaalsContact CZ3-CE 3.42Å; W105-M158 HydrophobicContact CZ3-CG 4.3Å; A138-M158 HydrophobicContact CB-CE 4.26Å; F154-M158 HydrophobicContact CE1-CG 4.26Å; F154-M158 WeakPolarHBondContact O-CB 3.37Å; F154-M158 WeakPolarHBondContact O-CG 3.36Å; F154-M158 PolarHBondContact O-N 3.05Å; E156-M158 VanDerWaalsContact C-N 3.29Å; E156-M158 PolarHBondContact O-N 3.46Å; M158-C160 PolarHBondContact O-N 3Å; M158-Y161 WeakPolarHBondContact O-CB 3.42Å; M158-Y161 PolarHBondContact O-N 2.97Å; M158-D162 PolarHBondContact O-N 3.44Å; M158-P168 HydrophobicContact CE-CB 4.2Å; M158-P168 HydrophobicContact CE-CG 3.86Å
159	N	63.1	Low	59.9	Low	74 Å²	74	64.8 Å²	64.8	40%	0.396	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-44	175.4	-72.4	-12.8	0	0	0	111.7	K155 E156 Y161 D162 E163	K155-N159 PolarHBondContact O-N 2.92Å; K155-N159 PolarHBondContact O-OD1 3.34Å; E156-N159 WeakPolarHBondContact O-CB 3.44Å; E156-N159 PolarHBondContact O-N 3.28Å; E156-N159 VanDerWaalsContact O-N 3.15Å; N159-Y161 VanDerWaalsContact C-N 3.35Å; N159-D162 PolarHBondContact O-N 3.49Å; N159-E163 WeakPolarHBondContact O-CB 3.36Å; N159-E163 PolarHBondContact O-N 3.37Å
160	C	57.6	Low	59.8	Low	22 Å²	22	68.3 Å²	68.3	15%	0.149	32%	0.321	C	S	.	.	H	α-helix	trans	-69.7	-30.1	177.6	-69.4	0	0	0	0	112.6	E156 M158 Y164 I171	E156-C160 PolarHBondContact O-N 3.47Å; M158-C160 PolarHBondContact O-N 3Å; C160-Y164 HydrophobicContact CB-CD2 4.42Å; C160-Y164 PolarHBondContact O-N 3.34Å; C160-I171 HydrophobicContact CB-CD1 3.51Å; C160-I171 HydrophobicContact CB-CG1 4.04Å; C160-I171 HydrophobicContact CB-CG2 3.97Å
161	Y	60.4	Low	59.9	Low	47 Å²	47	68.9 Å²	68.9	18%	0.184	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-49.5	168.9	-178.4	-92.4	0	0	0	111.4	V136 S157 M158 N159 E163 K165 E166 P168	V136-Y161 HydrophobicContact CG2-CE1 4.43Å; V136-Y161 WeakPolarHBondContact CG2-OH 3.42Å; S157-Y161 WeakPolarHBondContact O-CB 3.49Å; S157-Y161 PolarHBondContact O-N 3.32Å; M158-Y161 WeakPolarHBondContact O-CB 3.42Å; M158-Y161 PolarHBondContact O-N 2.97Å; N159-Y161 VanDerWaalsContact C-N 3.35Å; Y161-E163 VanDerWaalsContact C-N 3.27Å; Y161-E163 PolarHBondContact O-N 2.86Å; Y161-K165 VanDerWaalsContact O-CA 3.25Å; Y161-K165 WeakPolarHBondContact O-CA 3.37Å; Y161-K165 PolarHBondContact O-N 2.78Å; Y161-E166 VanDerWaalsContact CD2-O 3.22Å; Y161-E166 WeakPolarHBondContact CD2-O 3.16Å; Y161-P168 VanDerWaalsContact CD2-CD 3.49Å; Y161-P168 HydrophobicContact CD2-CG 3.54Å; Y161-P168 HydrophobicContact CE2-CG 4.25Å; Y161-P168 HydrophobicContact CG-CG 4Å
162	D	59.2	Low	59.8	Low	97 Å²	97	65.5 Å²	65.5	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-59.8	-35.2	177.8	-88.9	11.5	0	0	0	111.9	R129 M158 N159	R129-D162 IonicContact NH1-OD2 3.61Å; M158-D162 PolarHBondContact O-N 3.44Å; N159-D162 PolarHBondContact O-N 3.49Å
163	E	56.3	Low	59.8	Low	81 Å²	81	65.4 Å²	65.4	38%	0.379	30%	0.302	S	S	.	.	H	α-helix	trans	-84.8	-45.6	-177.1	-174.5	166.4	-147.7	0	0	114.4	N159 Y161 N407	N159-E163 WeakPolarHBondContact O-CB 3.36Å; N159-E163 PolarHBondContact O-N 3.37Å; Y161-E163 VanDerWaalsContact C-N 3.27Å; Y161-E163 PolarHBondContact O-N 2.86Å; E163-N407 VanDerWaalsContact CD-ND2 3.34Å; E163-N407 PolarHBondContact OE1-ND2 2.85Å; E163-N407 PolarHBondContact OE2-ND2 2.73Å
164	Y	57.5	Low	59.6	Low	139 Å²	139	68.4 Å²	68.4	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-108.9	-10	-170.9	-60.8	-78	0	0	0	114.4	C160 E166	C160-Y164 HydrophobicContact CB-CD2 4.42Å; C160-Y164 PolarHBondContact O-N 3.34Å; Y164-E166 PolarHBondContact O-N 3.42Å
165	K	59.1	Low	59.2	Low	157 Å²	157	68.6 Å²	68.6	68%	0.683	32%	0.319	S	S	*	.			trans	55.4	23.3	-168.2	-55.1	-165.8	175.4	-152.3	0	113.9	Y161	Y161-K165 VanDerWaalsContact O-CA 3.25Å; Y161-K165 WeakPolarHBondContact O-CA 3.37Å; Y161-K165 PolarHBondContact O-N 2.78Å
166	E	55.3	Low	58.7	Low	84 Å²	84	64.4 Å²	64.4	39%	0.393	30%	0.301	S	S	.	.			trans	-78.6	138.8	174.2	-70.8	-163.1	136.8	0	0	110.5	Y161 Y164 R170 I171	Y161-E166 VanDerWaalsContact CD2-O 3.22Å; Y161-E166 WeakPolarHBondContact CD2-O 3.16Å; Y164-E166 PolarHBondContact O-N 3.42Å; E166-R170 IonicContact OE1-NH1 3.52Å; E166-I171 HydrophobicContact CB-CD1 4.03Å; E166-I171 HydrophobicContact CB-CG1 4.11Å; E166-I171 WeakPolarHBondContact O-CD1 3.36Å
167	N	60.4	Low	58.4	Low	77 Å²	77	65.9 Å²	65.9	41%	0.412	32%	0.316	S	S	.	.			trans	-50.4	127.6	-179.9	-178.9	0.2	0	0	0	110.6	E169 R170 I171	N167-E169 PolarHBondContact ND2-OE2 3.46Å; N167-E169 PolarHBondContact O-N 3.48Å; N167-E169 VanDerWaalsContact O-N 3.13Å; N167-E169 PolarHBondContact OD1-N 2.8Å; N167-E169 VanDerWaalsContact OD1-N 3.16Å; N167-R170 HydrophobicContact CB-CB 4.21Å; N167-R170 WeakPolarHBondContact O-CA 3.21Å; N167-R170 WeakPolarHBondContact O-CB 3.05Å; N167-R170 PolarHBondContact O-N 2.84Å; N167-I171 PolarHBondContact O-N 2.81Å; N167-I171 VanDerWaalsContact O-N 3.12Å
168	P	54.8	Low	58	Low	10 Å²	10	73.8 Å²	73.8	7%	0.065	35%	0.346	C	S	.	.	H	α-helix	trans	-58.7	-29.1	-179.4	-21.4	33.6	0	0	0	112.7	W105 M158 Y161 I171 L172	W105-P168 HydrophobicContact CH2-CB 3.73Å; W105-P168 HydrophobicContact CZ2-CB 3.28Å; W105-P168 HydrophobicContact CZ2-CG 4.5Å; M158-P168 HydrophobicContact CE-CB 4.2Å; M158-P168 HydrophobicContact CE-CG 3.86Å; Y161-P168 VanDerWaalsContact CD2-CD 3.49Å; Y161-P168 HydrophobicContact CD2-CG 3.54Å; Y161-P168 HydrophobicContact CE2-CG 4.25Å; Y161-P168 HydrophobicContact CG-CG 4Å; P168-I171 PolarHBondContact O-N 3.47Å; P168-L172 WeakPolarHBondContact O-CB 3.23Å; P168-L172 WeakPolarHBondContact O-CG 3.27Å; P168-L172 PolarHBondContact O-N 2.96Å
169	E	56.2	Low	57.3	Low	75 Å²	75	75.4 Å²	75.4	35%	0.35	36%	0.355	S	S	.	.	H	α-helix	trans	-61.7	-43.5	172.2	-59.8	172.6	142.8	0	0	111.6	N167 L172 D173	N167-E169 PolarHBondContact ND2-OE2 3.46Å; N167-E169 PolarHBondContact O-N 3.48Å; N167-E169 VanDerWaalsContact O-N 3.13Å; N167-E169 PolarHBondContact OD1-N 2.8Å; N167-E169 VanDerWaalsContact OD1-N 3.16Å; E169-L172 CarbonylContact O-C 3.54Å; E169-L172 PolarHBondContact O-N 2.8Å; E169-D173 PolarHBondContact O-N 3.48Å
170	R	55.9	Low	56.7	Low	161 Å²	161	75.4 Å²	75.4	61%	0.608	35%	0.349	S	S	*	.	H	α-helix	trans	-69.4	-34.5	179.2	-168.6	-176.1	-172	-162.8	3.6	112.2	E166 N167 D173 D174	E166-R170 IonicContact OE1-NH1 3.52Å; N167-R170 HydrophobicContact CB-CB 4.21Å; N167-R170 WeakPolarHBondContact O-CA 3.21Å; N167-R170 WeakPolarHBondContact O-CB 3.05Å; N167-R170 PolarHBondContact O-N 2.84Å; R170-D173 PolarHBondContact O-N 2.93Å; R170-D174 PolarHBondContact O-N 2.68Å
171	I	58.9	Low	56.4	Low	12 Å²	12	81.6 Å²	81.6	6%	0.062	37%	0.374	C	S	.	.	H	α-helix	trans	-67.8	-44.6	173.7	-63.5	153.5	0	0	0	109.5	C160 E166 N167 P168 D173 D174 H175	C160-I171 HydrophobicContact CB-CD1 3.51Å; C160-I171 HydrophobicContact CB-CG1 4.04Å; C160-I171 HydrophobicContact CB-CG2 3.97Å; E166-I171 HydrophobicContact CB-CD1 4.03Å; E166-I171 HydrophobicContact CB-CG1 4.11Å; E166-I171 WeakPolarHBondContact O-CD1 3.36Å; N167-I171 PolarHBondContact O-N 2.81Å; N167-I171 VanDerWaalsContact O-N 3.12Å; P168-I171 PolarHBondContact O-N 3.47Å; I171-D173 VanDerWaalsContact C-N 3.33Å; I171-D173 PolarHBondContact O-N 3.11Å; I171-D174 PolarHBondContact O-N 2.82Å; I171-H175 WeakPolarHBondContact O-CB 3.48Å; I171-H175 PolarHBondContact O-N 3.36Å
172	L	58.4	Low	56	Low	1 Å²	1	83.2 Å²	83.2	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-62.8	-36.3	172.2	-73.2	-174.4	0	0	0	112.3	L101 F104 W105 L153 P168 E169 H175 F176	L101-L172 HydrophobicContact CD2-CB 3.81Å; F104-L172 HydrophobicContact CB-CD1 4.31Å; F104-L172 HydrophobicContact CD1-CD1 3.43Å; F104-L172 VanDerWaalsContact CD1-CD1 3.43Å; F104-L172 HydrophobicContact CE1-CD1 3.92Å; F104-L172 HydrophobicContact CE1-CD2 4.43Å; F104-L172 HydrophobicContact CG-CD1 3.98Å; W105-L172 HydrophobicContact CZ2-CD1 3.6Å; W105-L172 HydrophobicContact CZ2-CG 4.04Å; W105-L172 VanDerWaalsContact NE1-CD1 3.32Å; L153-L172 HydrophobicContact CB-CD2 4.32Å; P168-L172 WeakPolarHBondContact O-CB 3.23Å; P168-L172 WeakPolarHBondContact O-CG 3.27Å; P168-L172 PolarHBondContact O-N 2.96Å; E169-L172 CarbonylContact O-C 3.54Å; E169-L172 PolarHBondContact O-N 2.8Å; L172-H175 CarbonylContact O-C 3.6Å; L172-H175 PolarHBondContact O-N 3.35Å; L172-F176 HydrophobicContact CB-CD2 4.1Å; L172-F176 HydrophobicContact CB-CE2 4.03Å; L172-F176 HydrophobicContact CD1-CE2 4.38Å; L172-F176 HydrophobicContact CD2-CE2 4.36Å; L172-F176 WeakPolarHBondContact O-CB 3.22Å; L172-F176 WeakPolarHBondContact O-CD2 3.45Å; L172-F176 WeakPolarHBondContact O-CG 3.34Å; L172-F176 PolarHBondContact O-N 3.06Å
173	D	58.3	Low	55.4	Low	74 Å²	74	81.8 Å²	81.8	40%	0.396	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-45.8	174.3	-84.5	-39.5	0	0	0	112	L101 E169 R170 I171 H175 S177	L101-D173 WeakPolarHBondContact CD1-OD1 3.44Å; E169-D173 PolarHBondContact O-N 3.48Å; R170-D173 PolarHBondContact O-N 2.93Å; I171-D173 VanDerWaalsContact C-N 3.33Å; I171-D173 PolarHBondContact O-N 3.11Å; D173-H175 VanDerWaalsContact C-N 3.33Å; D173-S177 WeakPolarHBondContact O-CB 3.5Å; D173-S177 PolarHBondContact O-N 3.36Å; D173-S177 PolarHBondContact O-OG 3.06Å
174	D	58.2	Low	54.9	Low	77 Å²	77	81.6 Å²	81.6	41%	0.412	38%	0.375	S	S	.	.	H	α-helix	trans	-65.1	-39.7	174.5	-171.6	64.6	0	0	0	111	R170 I171 S177 R178	R170-D174 PolarHBondContact O-N 2.68Å; I171-D174 PolarHBondContact O-N 2.82Å; D174-S177 PolarHBondContact O-N 2.75Å; D174-R178 VanDerWaalsContact CG-CD 3.4Å; D174-R178 VanDerWaalsContact O-CB 3.32Å; D174-R178 WeakPolarHBondContact O-CB 3.15Å; D174-R178 WeakPolarHBondContact O-CD 3.38Å; D174-R178 VanDerWaalsContact O-CG 3.24Å; D174-R178 WeakPolarHBondContact O-CG 3.49Å; D174-R178 PolarHBondContact O-N 3.49Å; D174-R178 VanDerWaalsContact OD1-CD 3.27Å; D174-R178 WeakPolarHBondContact OD1-CD 3.42Å; D174-R178 WeakPolarHBondContact OD2-CD 3.48Å; D174-R178 IonicContact OD2-CZ 3.36Å; D174-R178 IonicContact OD2-NE 3.45Å; D174-R178 IonicContact OD2-NH1 2.59Å; D174-R178 PolarHBondContact OD2-NH1 3.44Å
175	H	58.3	Low	54.4	Low	25 Å²	25	77.8 Å²	77.8	12%	0.116	37%	0.372	C	S	.	.	H	α-helix	trans	-64.8	-51.1	177.2	-122.5	-84.7	0	0	0	112.2	L153 E156 I171 L172 D173 S177 R178 I179	L153-H175 HydrophobicContact CD2-CB 4.48Å; L153-H175 VanDerWaalsContact CD2-CE1 3.44Å; L153-H175 WeakPolarHBondContact CD2-CE1 3.24Å; L153-H175 WeakPolarHBondContact CD2-ND1 3.39Å; E156-H175 IonicContact OE1-CD2 2.7Å; E156-H175 IonicContact OE1-CE1 3.56Å; E156-H175 IonicContact OE1-NE2 3.33Å; E156-H175 PolarHBondContact OE1-NE2 2.7Å; E156-H175 IonicContact OE2-CE1 3.45Å; E156-H175 PolarHBondContact OE2-CE1 2.8Å; E156-H175 VanDerWaalsContact OE2-CE1 3.23Å; E156-H175 IonicContact OE2-NE2 3.88Å; E156-H175 PolarHBondContact OE2-NE2 2.92Å; E156-H175 VanDerWaalsContact OE2-NE2 3.12Å; I171-H175 WeakPolarHBondContact O-CB 3.48Å; I171-H175 PolarHBondContact O-N 3.36Å; L172-H175 CarbonylContact O-C 3.6Å; L172-H175 PolarHBondContact O-N 3.35Å; D173-H175 VanDerWaalsContact C-N 3.33Å; H175-S177 VanDerWaalsContact C-N 3.32Å; H175-S177 PolarHBondContact O-N 2.83Å; H175-R178 PolarHBondContact O-N 3.37Å; H175-I179 WeakPolarHBondContact CE1-CD1 3.44Å; H175-I179 VanDerWaalsContact ND1-CD1 3.27Å; H175-I179 WeakPolarHBondContact ND1-CD1 3.32Å; H175-I179 WeakPolarHBondContact ND1-CG1 3.36Å; H175-I179 WeakPolarHBondContact O-CA 3.34Å; H175-I179 WeakPolarHBondContact O-CB 2.84Å; H175-I179 PolarHBondContact O-N 3.24Å
176	F	55.5	Low	53.7	Low	54 Å²	54	72.3 Å²	72.3	24%	0.237	35%	0.353	C	S	.	.	H	α-helix	trans	-61.3	-41.2	173	-72.3	-60.8	0	0	0	110.3	L101 F104 W149 L153 L172 R178 W180	L101-F176 HydrophobicContact CD2-CD2 4.05Å; L101-F176 HydrophobicContact CD2-CE2 4.21Å; F104-F176 HydrophobicContact CD2-CE2 4.46Å; F104-F176 HydrophobicContact CD2-CZ 4.14Å; F104-F176 HydrophobicContact CE2-CE2 4.4Å; F104-F176 AromaticContact CE2-CZ 3.71Å; F104-F176 HydrophobicContact CE2-CZ 3.71Å; F104-F176 HydrophobicContact CZ-CZ 4.09Å; W149-F176 HydrophobicContact CZ3-CE1 4.44Å; L153-F176 HydrophobicContact CD1-CE1 4.18Å; L153-F176 HydrophobicContact CD1-CZ 4.32Å; L172-F176 HydrophobicContact CB-CD2 4.1Å; L172-F176 HydrophobicContact CB-CE2 4.03Å; L172-F176 HydrophobicContact CD1-CE2 4.38Å; L172-F176 HydrophobicContact CD2-CE2 4.36Å; L172-F176 WeakPolarHBondContact O-CB 3.22Å; L172-F176 WeakPolarHBondContact O-CD2 3.45Å; L172-F176 WeakPolarHBondContact O-CG 3.34Å; L172-F176 PolarHBondContact O-N 3.06Å; F176-R178 VanDerWaalsContact C-N 3.29Å; F176-R178 PolarHBondContact O-N 3.14Å; F176-W180 WeakPolarHBondContact O-CA 3.25Å; F176-W180 WeakPolarHBondContact O-CB 3.32Å; F176-W180 PolarHBondContact O-N 3.22Å
177	S	55.6	Low	53.2	Low	79 Å²	79	70.6 Å²	70.6	55%	0.552	35%	0.346	S	S	*	.	H	α-helix	trans	-61	-34.2	177.3	-63.8	0	0	0	0	114	D173 D174 H175	D173-S177 WeakPolarHBondContact O-CB 3.5Å; D173-S177 PolarHBondContact O-N 3.36Å; D173-S177 PolarHBondContact O-OG 3.06Å; D174-S177 PolarHBondContact O-N 2.75Å; H175-S177 VanDerWaalsContact C-N 3.32Å; H175-S177 PolarHBondContact O-N 2.83Å
178	R	53.5	Low	52.2	Low	168 Å²	168	70.2 Å²	70.2	63%	0.634	34%	0.343	S	S	*	.	H	α-helix	trans	-95.8	-49.3	-175.9	-66.5	165.6	74.6	-175.9	1.6	112.2	D174 H175 F176 T182	D174-R178 VanDerWaalsContact CG-CD 3.4Å; D174-R178 VanDerWaalsContact O-CB 3.32Å; D174-R178 WeakPolarHBondContact O-CB 3.15Å; D174-R178 WeakPolarHBondContact O-CD 3.38Å; D174-R178 VanDerWaalsContact O-CG 3.24Å; D174-R178 WeakPolarHBondContact O-CG 3.49Å; D174-R178 PolarHBondContact O-N 3.49Å; D174-R178 VanDerWaalsContact OD1-CD 3.27Å; D174-R178 WeakPolarHBondContact OD1-CD 3.42Å; D174-R178 WeakPolarHBondContact OD2-CD 3.48Å; D174-R178 IonicContact OD2-CZ 3.36Å; D174-R178 IonicContact OD2-NE 3.45Å; D174-R178 IonicContact OD2-NH1 2.59Å; D174-R178 PolarHBondContact OD2-NH1 3.44Å; H175-R178 PolarHBondContact O-N 3.37Å; F176-R178 VanDerWaalsContact C-N 3.29Å; F176-R178 PolarHBondContact O-N 3.14Å; R178-T182 PolarHBondContact O-OG1 3.04Å; R178-T182 VanDerWaalsContact O-OG1 3.12Å
179	I	50.4	Low	52	Low	69 Å²	69	72.3 Å²	72.3	35%	0.354	36%	0.358	S	S	.	.	H	α-helix	trans	-72.8	-34.4	176.6	-65.6	-150	0	0	0	111.9	L153 H175 K181 T182 R183	L153-I179 HydrophobicContact CD2-CD1 4.42Å; H175-I179 WeakPolarHBondContact CE1-CD1 3.44Å; H175-I179 VanDerWaalsContact ND1-CD1 3.27Å; H175-I179 WeakPolarHBondContact ND1-CD1 3.32Å; H175-I179 WeakPolarHBondContact ND1-CG1 3.36Å; H175-I179 WeakPolarHBondContact O-CA 3.34Å; H175-I179 WeakPolarHBondContact O-CB 2.84Å; H175-I179 PolarHBondContact O-N 3.24Å; I179-K181 VanDerWaalsContact C-N 3.3Å; I179-K181 PolarHBondContact O-N 3.4Å; I179-T182 CarbonylContact O-C 3.58Å; I179-T182 PolarHBondContact O-N 2.91Å; I179-R183 HydrophobicContact CG2-CB 3.85Å; I179-R183 WeakPolarHBondContact O-CA 3.36Å; I179-R183 WeakPolarHBondContact O-CB 3.19Å; I179-R183 PolarHBondContact O-N 2.72Å
180	W	51.5	Low	51.3	Low	74 Å²	74	72.8 Å²	72.8	28%	0.28	36%	0.361	S	S	.	.	H	α-helix	trans	-58.2	-43.2	-178.9	-168.2	-110.1	0	0	0	111.6	L96 F176 T182 R183 E184	L96-W180 HydrophobicContact CD1-CE3 4.41Å; L96-W180 HydrophobicContact CD1-CH2 3.07Å; L96-W180 HydrophobicContact CD1-CZ2 3.6Å; L96-W180 HydrophobicContact CD1-CZ3 3.54Å; F176-W180 WeakPolarHBondContact O-CA 3.25Å; F176-W180 WeakPolarHBondContact O-CB 3.32Å; F176-W180 PolarHBondContact O-N 3.22Å; W180-T182 PolarHBondContact O-N 2.88Å; W180-R183 PolarHBondContact O-N 2.69Å; W180-E184 WeakPolarHBondContact O-CA 3.07Å; W180-E184 WeakPolarHBondContact O-CB 3.25Å; W180-E184 PolarHBondContact O-N 3.49Å
181	K	50.3	Low	50.4	Low	153 Å²	153	68.3 Å²	68.3	67%	0.665	35%	0.349	S	S	*	.	H	α-helix	trans	-65.8	-32.6	174.8	-65.2	-174.4	178.2	-177	0	114.2	I179	I179-K181 VanDerWaalsContact C-N 3.3Å; I179-K181 PolarHBondContact O-N 3.4Å
182	T	51.7	Low	49.6	Very low	80 Å²	80	73.3 Å²	73.3	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-79.8	-37.4	177.6	-47.5	0	0	0	0	111.5	R178 I179 W180 A185 C186	R178-T182 PolarHBondContact O-OG1 3.04Å; R178-T182 VanDerWaalsContact O-OG1 3.12Å; I179-T182 CarbonylContact O-C 3.58Å; I179-T182 PolarHBondContact O-N 2.91Å; W180-T182 PolarHBondContact O-N 2.88Å; T182-A185 PolarHBondContact O-N 3.23Å; T182-C186 PolarHBondContact O-N 3.12Å; T182-C186 VanDerWaalsContact O-N 3.09Å; T182-C186 PolarHBondContact O-SG 2.93Å; T182-C186 VanDerWaalsContact O-SG 3.36Å
183	R	48.3	Very low	48.8	Very low	68 Å²	68	77.8 Å²	77.8	26%	0.257	39%	0.394	S	S	.	.	H	α-helix	trans	-76.6	-30.4	179.1	-168.2	73.2	-169.7	131.4	16.8	111.2	I179 W180 C186 M187 E190	I179-R183 HydrophobicContact CG2-CB 3.85Å; I179-R183 WeakPolarHBondContact O-CA 3.36Å; I179-R183 WeakPolarHBondContact O-CB 3.19Å; I179-R183 PolarHBondContact O-N 2.72Å; W180-R183 PolarHBondContact O-N 2.69Å; R183-C186 CarbonylContact O-C 3.55Å; R183-C186 PolarHBondContact O-N 3.22Å; R183-M187 HydrophobicContact CG-CG 4.19Å; R183-M187 HydrophobicContact CG-SD 3.97Å; R183-M187 VanDerWaalsContact O-CB 3.22Å; R183-M187 WeakPolarHBondContact O-CB 3.36Å; R183-M187 VanDerWaalsContact O-CG 3.24Å; R183-M187 WeakPolarHBondContact O-CG 3.47Å; R183-M187 PolarHBondContact O-N 3.28Å; R183-E190 IonicContact CZ-OE1 3.51Å; R183-E190 IonicContact CZ-OE2 3.97Å; R183-E190 IonicContact NH1-OE1 2.7Å; R183-E190 PolarHBondContact NH1-OE1 2.7Å; R183-E190 IonicContact NH1-OE2 3.31Å; R183-E190 IonicContact NH2-OE1 2.6Å; R183-E190 PolarHBondContact NH2-OE1 3.46Å; R183-E190 IonicContact NH2-OE2 3.77Å; R183-E190 PolarHBondContact NH2-OE2 2.92Å
184	E	44.1	Very low	47.7	Very low	76 Å²	76	79 Å²	79	36%	0.355	40%	0.401	S	S	.	.	H	α-helix	trans	-52.9	-54.3	165.4	171.3	-175.8	-166.6	0	0	109.8	M89 W180 C186 M187 L188	M89-E184 HydrophobicContact CE-CG 4.43Å; W180-E184 WeakPolarHBondContact O-CA 3.07Å; W180-E184 WeakPolarHBondContact O-CB 3.25Å; W180-E184 PolarHBondContact O-N 3.49Å; E184-C186 PolarHBondContact O-N 3.33Å; E184-M187 PolarHBondContact O-N 3.44Å; E184-L188 HydrophobicContact CG-CD1 4.19Å; E184-L188 WeakPolarHBondContact O-CB 3.48Å; E184-L188 VanDerWaalsContact O-CG 3.25Å; E184-L188 WeakPolarHBondContact O-CG 3.4Å; E184-L188 PolarHBondContact O-N 3.43Å
185	A	46.7	Very low	46.7	Very low	59 Å²	59	78.1 Å²	78.1	49%	0.488	40%	0.396	S	S	.	.	H	α-helix	trans	-63.2	-37.6	176.2	0	0	0	0	0	113.3	T182 S189	T182-A185 PolarHBondContact O-N 3.23Å; A185-S189 PolarHBondContact O-N 3.1Å; A185-S189 PolarHBondContact O-OG 3.36Å; A185-S189 VanDerWaalsContact O-OG 3.1Å
186	C	46.4	Very low	45.8	Very low	42 Å²	42	83 Å²	83	28%	0.284	42%	0.419	S	S	.	.	H	α-helix	trans	-70.7	-35	174.2	-65.5	0	0	0	0	113.1	T182 R183 E184 S189 E190	T182-C186 PolarHBondContact O-N 3.12Å; T182-C186 VanDerWaalsContact O-N 3.09Å; T182-C186 PolarHBondContact O-SG 2.93Å; T182-C186 VanDerWaalsContact O-SG 3.36Å; R183-C186 CarbonylContact O-C 3.55Å; R183-C186 PolarHBondContact O-N 3.22Å; E184-C186 PolarHBondContact O-N 3.33Å; C186-S189 WeakPolarHBondContact CA-OG 3.35Å; C186-S189 PolarHBondContact O-N 3.35Å; C186-S189 PolarHBondContact O-OG 2.92Å; C186-E190 WeakPolarHBondContact O-CB 3.06Å; C186-E190 VanDerWaalsContact O-CG 3.25Å; C186-E190 WeakPolarHBondContact O-CG 3.25Å; C186-E190 PolarHBondContact O-N 3.48Å
187	M	43.2	Very low	45.2	Very low	48 Å²	48	83.7 Å²	83.7	24%	0.236	43%	0.425	C	S	.	.	H	α-helix	trans	-75.4	-35.9	178.7	-76.8	179.1	60.7	0	0	110.9	L92 R183 E184 S189 E190 D191	L92-M187 HydrophobicContact CD1-CE 3.98Å; R183-M187 HydrophobicContact CG-CG 4.19Å; R183-M187 HydrophobicContact CG-SD 3.97Å; R183-M187 VanDerWaalsContact O-CB 3.22Å; R183-M187 WeakPolarHBondContact O-CB 3.36Å; R183-M187 VanDerWaalsContact O-CG 3.24Å; R183-M187 WeakPolarHBondContact O-CG 3.47Å; R183-M187 PolarHBondContact O-N 3.28Å; E184-M187 PolarHBondContact O-N 3.44Å; M187-S189 VanDerWaalsContact C-N 3.26Å; M187-S189 PolarHBondContact O-N 2.93Å; M187-E190 PolarHBondContact O-N 2.92Å; M187-D191 VanDerWaalsContact O-CB 3.23Å; M187-D191 WeakPolarHBondContact O-CB 3.43Å; M187-D191 PolarHBondContact O-N 2.86Å
188	L	41	Very low	44.3	Very low	69 Å²	69	83 Å²	83	36%	0.361	42%	0.418	S	S	.	.	H	α-helix	trans	-62.3	-32.1	170.3	-71.4	167.9	0	0	0	112.5	E184 Q192	E184-L188 HydrophobicContact CG-CD1 4.19Å; E184-L188 WeakPolarHBondContact O-CB 3.48Å; E184-L188 VanDerWaalsContact O-CG 3.25Å; E184-L188 WeakPolarHBondContact O-CG 3.4Å; E184-L188 PolarHBondContact O-N 3.43Å; L188-Q192 WeakPolarHBondContact O-CG 3.38Å; L188-Q192 PolarHBondContact O-N 3Å
189	S	48.9	Very low	43.4	Very low	54 Å²	54	82.1 Å²	82.1	38%	0.378	42%	0.419	S	S	.	.	H	α-helix	trans	-84.3	-37.5	174.7	55.5	0	0	0	0	113.2	A185 C186 M187 Q192 I193	A185-S189 PolarHBondContact O-N 3.1Å; A185-S189 PolarHBondContact O-OG 3.36Å; A185-S189 VanDerWaalsContact O-OG 3.1Å; C186-S189 WeakPolarHBondContact CA-OG 3.35Å; C186-S189 PolarHBondContact O-N 3.35Å; C186-S189 PolarHBondContact O-OG 2.92Å; M187-S189 VanDerWaalsContact C-N 3.26Å; M187-S189 PolarHBondContact O-N 2.93Å; S189-Q192 PolarHBondContact O-N 2.98Å; S189-I193 WeakPolarHBondContact O-CB 3.48Å; S189-I193 WeakPolarHBondContact O-CD1 3.43Å; S189-I193 VanDerWaalsContact O-CG1 3.24Å; S189-I193 WeakPolarHBondContact O-CG1 3.27Å; S189-I193 PolarHBondContact O-N 3.16Å
190	E	42	Very low	42.8	Very low	86 Å²	86	86 Å²	86	40%	0.402	44%	0.435	S	S	.	.	H	α-helix	trans	-59.2	-45.2	169.3	-75.7	166.4	-155.8	0	0	111.1	R183 C186 M187 I193 D194	R183-E190 IonicContact CZ-OE1 3.51Å; R183-E190 IonicContact CZ-OE2 3.97Å; R183-E190 IonicContact NH1-OE1 2.7Å; R183-E190 PolarHBondContact NH1-OE1 2.7Å; R183-E190 IonicContact NH1-OE2 3.31Å; R183-E190 IonicContact NH2-OE1 2.6Å; R183-E190 PolarHBondContact NH2-OE1 3.46Å; R183-E190 IonicContact NH2-OE2 3.77Å; R183-E190 PolarHBondContact NH2-OE2 2.92Å; C186-E190 WeakPolarHBondContact O-CB 3.06Å; C186-E190 VanDerWaalsContact O-CG 3.25Å; C186-E190 WeakPolarHBondContact O-CG 3.25Å; C186-E190 PolarHBondContact O-N 3.48Å; M187-E190 PolarHBondContact O-N 2.92Å; E190-I193 PolarHBondContact O-N 3.04Å; E190-D194 PolarHBondContact O-N 2.9Å
191	D	37.9	Very low	42	Very low	67 Å²	67	90.5 Å²	90.5	36%	0.358	46%	0.457	S	S	.	.	H	α-helix	trans	-65.8	-36.9	175.6	-82.1	-13	0	0	0	112.2	M187 I193 D194 L195	M187-D191 VanDerWaalsContact O-CB 3.23Å; M187-D191 WeakPolarHBondContact O-CB 3.43Å; M187-D191 PolarHBondContact O-N 2.86Å; D191-I193 VanDerWaalsContact C-N 3.34Å; D191-D194 PolarHBondContact O-N 3.48Å; D191-L195 WeakPolarHBondContact O-CB 3.08Å; D191-L195 WeakPolarHBondContact O-CD1 3.5Å; D191-L195 WeakPolarHBondContact O-CG 3.45Å; D191-L195 PolarHBondContact O-N 3.26Å
192	Q	41	Very low	40.9	Very low	117 Å²	117	92.6 Å²	92.6	55%	0.547	46%	0.462	S	S	.	.	H	α-helix	trans	-63.3	-41.2	171.8	-83.8	-175.1	5.4	0	0	111.8	L188 S189 Q196	L188-Q192 WeakPolarHBondContact O-CG 3.38Å; L188-Q192 PolarHBondContact O-N 3Å; S189-Q192 PolarHBondContact O-N 2.98Å; Q192-Q196 WeakPolarHBondContact O-CB 3.44Å; Q192-Q196 VanDerWaalsContact O-CG 3.27Å; Q192-Q196 WeakPolarHBondContact O-CG 3.49Å; Q192-Q196 PolarHBondContact O-N 3.37Å
193	I	42.1	Very low	39.8	Very low	94 Å²	94	93 Å²	93	48%	0.482	47%	0.468	S	S	.	.	H	α-helix	trans	-67	-43.7	177.6	-70.1	163.9	0	0	0	110.3	S189 E190 D191 Q196 N197	S189-I193 WeakPolarHBondContact O-CB 3.48Å; S189-I193 WeakPolarHBondContact O-CD1 3.43Å; S189-I193 VanDerWaalsContact O-CG1 3.24Å; S189-I193 WeakPolarHBondContact O-CG1 3.27Å; S189-I193 PolarHBondContact O-N 3.16Å; E190-I193 PolarHBondContact O-N 3.04Å; D191-I193 VanDerWaalsContact C-N 3.34Å; I193-Q196 PolarHBondContact O-N 3.3Å; I193-N197 VanDerWaalsContact CG2-ND2 3.34Å; I193-N197 WeakPolarHBondContact CG2-ND2 3.08Å; I193-N197 VanDerWaalsContact O-CB 3.27Å; I193-N197 WeakPolarHBondContact O-CB 3.37Å; I193-N197 PolarHBondContact O-N 2.94Å; I193-N197 PolarHBondContact O-ND2 2.68Å; I193-N197 VanDerWaalsContact O-ND2 3.11Å
194	D	35.9	Very low	39	Very low	99 Å²	99	99 Å²	99	53%	0.529	50%	0.496	S	S	.	.	H	α-helix	trans	-72.2	-33.5	177.8	-98.6	-2.5	0	0	0	112.9	E190 D191 N197 T198	E190-D194 PolarHBondContact O-N 2.9Å; D191-D194 PolarHBondContact O-N 3.48Å; D194-N197 PolarHBondContact O-N 3.48Å; D194-T198 VanDerWaalsContact O-CB 3.25Å; D194-T198 WeakPolarHBondContact O-CB 3.27Å; D194-T198 VanDerWaalsContact O-CG2 3.23Å; D194-T198 WeakPolarHBondContact O-CG2 3.44Å; D194-T198 PolarHBondContact O-N 3.43Å; D194-T198 PolarHBondContact O-OG1 3.37Å
195	L	36	Very low	38.3	Very low	60 Å²	60	104.5 Å²	104.5	31%	0.314	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-47	168.5	-75.9	163.2	0	0	0	110.6	D191 N197 T198 F199	D191-L195 WeakPolarHBondContact O-CB 3.08Å; D191-L195 WeakPolarHBondContact O-CD1 3.5Å; D191-L195 WeakPolarHBondContact O-CG 3.45Å; D191-L195 PolarHBondContact O-N 3.26Å; L195-N197 PolarHBondContact O-N 3.35Å; L195-T198 PolarHBondContact O-N 3.42Å; L195-T198 PolarHBondContact O-OG1 3.25Å; L195-F199 HydrophobicContact CB-CD2 4.35Å; L195-F199 HydrophobicContact CB-CE2 4.31Å; L195-F199 HydrophobicContact CD2-CD2 4.49Å; L195-F199 HydrophobicContact CD2-CE2 3.73Å; L195-F199 HydrophobicContact CD2-CZ 4.36Å; L195-F199 WeakPolarHBondContact O-CB 3.24Å; L195-F199 WeakPolarHBondContact O-CD2 3.27Å; L195-F199 WeakPolarHBondContact O-CG 3.32Å; L195-F199 PolarHBondContact O-N 3.39Å
196	Q	40.5	Very low	37.3	Very low	128 Å²	128	106.8 Å²	106.8	60%	0.598	53%	0.53	S	S	*	.	H	α-helix	trans	-62.3	-43.4	176.5	-72.8	178.2	14.4	0	0	112.1	Q192 I193 Q200	Q192-Q196 WeakPolarHBondContact O-CB 3.44Å; Q192-Q196 VanDerWaalsContact O-CG 3.27Å; Q192-Q196 WeakPolarHBondContact O-CG 3.49Å; Q192-Q196 PolarHBondContact O-N 3.37Å; I193-Q196 PolarHBondContact O-N 3.3Å; Q196-Q200 WeakPolarHBondContact O-CB 3.27Å; Q196-Q200 WeakPolarHBondContact O-CG 3.24Å; Q196-Q200 PolarHBondContact O-N 3.22Å
197	N	42.6	Very low	36.5	Very low	68 Å²	68	111.8 Å²	111.8	36%	0.364	55%	0.554	S	S	.	*	H	α-helix	trans	-70.4	-35	179.4	-75	-34.7	0	0	0	113.6	I193 D194 L195 K201	I193-N197 VanDerWaalsContact CG2-ND2 3.34Å; I193-N197 WeakPolarHBondContact CG2-ND2 3.08Å; I193-N197 VanDerWaalsContact O-CB 3.27Å; I193-N197 WeakPolarHBondContact O-CB 3.37Å; I193-N197 PolarHBondContact O-N 2.94Å; I193-N197 PolarHBondContact O-ND2 2.68Å; I193-N197 VanDerWaalsContact O-ND2 3.11Å; D194-N197 PolarHBondContact O-N 3.48Å; L195-N197 PolarHBondContact O-N 3.35Å; N197-K201 PolarHBondContact O-N 2.96Å
198	T	37	Very low	35.9	Very low	65 Å²	65	117.9 Å²	117.9	40%	0.399	58%	0.579	S	S	.	*	H	α-helix	trans	-76.4	-40	176.2	53.6	0	0	0	0	111.8	D194 L195 Q200 K201 Y202	D194-T198 VanDerWaalsContact O-CB 3.25Å; D194-T198 WeakPolarHBondContact O-CB 3.27Å; D194-T198 VanDerWaalsContact O-CG2 3.23Å; D194-T198 WeakPolarHBondContact O-CG2 3.44Å; D194-T198 PolarHBondContact O-N 3.43Å; D194-T198 PolarHBondContact O-OG1 3.37Å; L195-T198 PolarHBondContact O-N 3.42Å; L195-T198 PolarHBondContact O-OG1 3.25Å; T198-Q200 PolarHBondContact O-N 3.24Å; T198-K201 PolarHBondContact O-N 2.87Å; T198-Y202 WeakPolarHBondContact O-CD2 3.45Å; T198-Y202 PolarHBondContact O-N 3.2Å
199	F	33.8	Very low	35.3	Very low	149 Å²	149	121.6 Å²	121.6	65%	0.654	61%	0.605	S	S	*	*	H	α-helix	trans	-67.6	-33.6	175.3	-74.4	-55.3	0	0	0	113.1	L195	L195-F199 HydrophobicContact CB-CD2 4.35Å; L195-F199 HydrophobicContact CB-CE2 4.31Å; L195-F199 HydrophobicContact CD2-CD2 4.49Å; L195-F199 HydrophobicContact CD2-CE2 3.73Å; L195-F199 HydrophobicContact CD2-CZ 4.36Å; L195-F199 WeakPolarHBondContact O-CB 3.24Å; L195-F199 WeakPolarHBondContact O-CD2 3.27Å; L195-F199 WeakPolarHBondContact O-CG 3.32Å; L195-F199 PolarHBondContact O-N 3.39Å
200	Q	37.4	Very low	34.2	Very low	150 Å²	150	129.9 Å²	129.9	70%	0.701	63%	0.628	S	S	*	*	H	α-helix	trans	-65.9	-39.4	172.7	-78.7	-172.1	-2.9	0	0	112.7	Q196 T198 S203	Q196-Q200 WeakPolarHBondContact O-CB 3.27Å; Q196-Q200 WeakPolarHBondContact O-CG 3.24Å; Q196-Q200 PolarHBondContact O-N 3.22Å; T198-Q200 PolarHBondContact O-N 3.24Å; Q200-S203 PolarHBondContact O-OG 2.82Å
201	K	34.8	Very low	33.5	Very low	168 Å²	168	136.9 Å²	136.9	73%	0.73	65%	0.651	S	S	*	*	H	α-helix	trans	-79	-16	-177.6	-74.9	173.6	-179.5	166.6	0	114.9	N197 T198	N197-K201 PolarHBondContact O-N 2.96Å; T198-K201 PolarHBondContact O-N 2.87Å
202	Y	28.4	Very low	33	Very low	197 Å²	197	143.5 Å²	143.5	77%	0.773	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	21.4	178.8	-67.8	-71.9	0	0	0	115.7	T198 K204	T198-Y202 WeakPolarHBondContact O-CD2 3.45Å; T198-Y202 PolarHBondContact O-N 3.2Å; Y202-K204 PolarHBondContact O-N 3.12Å
203	S	28.3	Very low	32.3	Very low	90 Å²	90	146.3 Å²	146.3	63%	0.629	69%	0.694	S	S	*	*			trans	-82.6	23.7	167.4	71.5	0	0	0	0	114.4	Q200 K205	Q200-S203 PolarHBondContact O-OG 2.82Å; S203-K205 PolarHBondContact O-N 3.32Å
204	K	31.9	Very low	31.5	Very low	194 Å²	194	152.9 Å²	152.9	84%	0.843	71%	0.713	S	S	*	*			trans	-60.3	102.3	164.1	-86	-177.1	179.5	171.1	0	108.5	Y202 C206	Y202-K204 PolarHBondContact O-N 3.12Å; K204-C206 PolarHBondContact O-N 3.26Å
205	K	29.4	Very low	31.3	Very low	191 Å²	191	154.9 Å²	154.9	83%	0.83	73%	0.729	S	S	*	*			trans	-35.8	110.2	172.8	-79.3	179.1	175.1	174.6	0	109.7	S203 N207	S203-K205 PolarHBondContact O-N 3.32Å; K205-N207 PolarHBondContact O-N 2.92Å
206	C	24.9	Very low	30.7	Very low	106 Å²	106	159.1 Å²	159.1	72%	0.716	75%	0.752	S	S	*	*			trans	-61.3	102.9	174	-178.1	0	0	0	0	107.3	K204 K208	K204-C206 PolarHBondContact O-N 3.26Å; C206-K208 PolarHBondContact O-N 3.41Å
207	N	29	Very low	30.2	Very low	147 Å²	147	162 Å²	162	79%	0.786	76%	0.762	S	S	*	*			trans	-66.2	79.6	172.4	-84.1	-25.8	0	0	0	108.2	K205 T209	K205-N207 PolarHBondContact O-N 2.92Å; N207-T209 VanDerWaalsContact C-N 3.28Å; N207-T209 PolarHBondContact O-N 2.67Å
208	K	32.2	Very low	29.6	Very low	177 Å²	177	164.6 Å²	164.6	77%	0.77	78%	0.776	S	S	*	*			trans	-63.9	93.8	170.8	-79.5	-177.3	176.7	171.5	0	107.8	C206 R210	C206-K208 PolarHBondContact O-N 3.41Å; K208-R210 PolarHBondContact O-N 3.42Å
209	T	26.6	Very low	29.2	Very low	146 Å²	146	167.9 Å²	167.9	90%	0.896	79%	0.79	S	S	*	*			trans	-58.4	75.1	163.1	22.6	0	0	0	0	109.7	N207	N207-T209 VanDerWaalsContact C-N 3.28Å; N207-T209 PolarHBondContact O-N 2.67Å
210	R	26.9	Very low	28.9	Very low	229 Å²	229	170 Å²	170	86%	0.864	80%	0.795	S	S	*	*			trans	-112.7	87.8	176.3	-150.5	173.6	-167.7	178	3.5	110.4	K208	K208-R210 PolarHBondContact O-N 3.42Å
211	R	27.7	Very low	28.6	Very low	233 Å²	233	169.9 Å²	169.9	88%	0.879	79%	0.794	S	S	*	*			trans	29.8	113	153.6	-69.2	179.4	173.7	165.4	-1.8	117.6	L213	R211-L213 PolarHBondContact O-N 3.02Å
212	K	25.6	Very low	28.3	Very low	206 Å²	206	169.4 Å²	169.4	90%	0.896	80%	0.795	S	S	*	*			trans	4.6	114.1	139.5	-63.6	175.4	178.3	176.4	0	115.3
213	L	27.4	Very low	28.2	Very low	175 Å²	175	167 Å²	167	92%	0.916	80%	0.795	S	S	*	*			trans	-144.6	130.4	130.6	-135.2	84.1	0	0	0	109	R211	R211-L213 PolarHBondContact O-N 3.02Å
214	R	25.3	Very low	28.3	Very low	232 Å²	232	171.9 Å²	171.9	88%	0.875	81%	0.808	S	S	*	*			trans	-82	146.4	172.8	-64.5	170.6	169	172.7	-6.4	108.4
215	T	30.5	Very low	28.1	Very low	142 Å²	142	169.7 Å²	169.7	87%	0.871	81%	0.805	S	S	*	*				-171.3	136.9	114.2	25.7	0	0	0	0	112
216	N	24.9	Very low	28.1	Very low	149 Å²	149	170.8 Å²	170.8	80%	0.797	81%	0.806	S	S	*	*			trans	-61.4	156.1	174.4	-58.8	-17.8	0	0	0	112.9
217	K	30	Very low	28.3	Very low	187 Å²	187	173.7 Å²	173.7	81%	0.813	81%	0.814	S	S	*	*				-168.9	122.6	114.2	-102.8	164.3	-177.5	-178.2	0	113.2
218	N	30.2	Very low	28.3	Very low	124 Å²	124	172.7 Å²	172.7	66%	0.663	81%	0.809	S	S	*	*			trans	57.7	119.9	142	-51.9	1.4	0	0	0	118.9
219	I	27.4	Very low	28.2	Very low	133 Å²	133	170.7 Å²	170.7	68%	0.682	81%	0.805	S	S	*	*				83	139.8	50.4	-62.8	165.8	0	0	0	112.5
220	Y	28.7	Very low	28.4	Very low	194 Å²	194	170 Å²	170	76%	0.761	80%	0.796	S	S	*	*			trans	83.6	141.1	-176.8	-56.3	-63.2	0	0	0	114.5
221	H	30	Very low	28.7	Very low	147 Å²	147	164.8 Å²	164.8	68%	0.681	78%	0.781	S	S	*	*			cis	-156.6	156.1	-6.1	-99.8	-65.2	0	0	0	104.9
222	E	29.2	Very low	28.9	Very low	159 Å²	159	158.5 Å²	158.5	74%	0.743	77%	0.765	S	S	*	*			cis	-160.2	-169.8	-5.6	-170.7	137.5	-84.6	0	0	108.5
223	D	27	Very low	29.3	Very low	146 Å²	146	154.1 Å²	154.1	78%	0.781	75%	0.751	S	S	*	*			trans	-69.3	150.5	-177.8	-53.3	-74.5	0	0	0	115.8
224	Q	30.3	Very low	29.7	Very low	192 Å²	192	152.8 Å²	152.8	90%	0.897	74%	0.737	S	S	*	*				-162.7	139.2	129.9	-79.8	-133.5	2.8	0	0	113.1
225	N	27.4	Very low	30.2	Very low	149 Å²	149	145.8 Å²	145.8	80%	0.797	72%	0.718	S	S	*	*			trans	-42.7	127.5	177.6	-68.4	-52.8	0	0	0	116.4
226	Y	28.3	Very low	30.4	Very low	213 Å²	213	144.2 Å²	144.2	84%	0.835	70%	0.699	S	S	*	*			trans	-147.3	121.7	143.3	-98.8	-78.9	0	0	0	111.4	N228	Y226-N228 PolarHBondContact O-N 3.27Å
227	N	29	Very low	31	Very low	167 Å²	167	142.3 Å²	142.3	89%	0.893	69%	0.688	S	S	*	*			trans	-79.1	67.1	174.9	-77.1	-29.8	0	0	0	111.1
228	N	29	Very low	31.3	Very low	126 Å²	126	138.8 Å²	138.8	67%	0.674	68%	0.677	S	S	*	*			trans	-94.5	99.8	165.9	-83.1	6.7	0	0	0	109.3	Y226 D230	Y226-N228 PolarHBondContact O-N 3.27Å; N228-D230 VanDerWaalsContact C-N 3.26Å; N228-D230 PolarHBondContact O-N 2.73Å; N228-D230 VanDerWaalsContact O-N 3.07Å
229	I	30.5	Very low	31.4	Very low	136 Å²	136	138.4 Å²	138.4	70%	0.697	68%	0.675	S	S	*	*			trans	-77	86.9	162.9	-59	175.7	0	0	0	106.3	H231	I229-H231 PolarHBondContact O-N 3.36Å
230	D	30.5	Very low	31.5	Very low	131 Å²	131	137.4 Å²	137.4	70%	0.701	67%	0.67	S	S	*	*			trans	-62.5	105.9	168.8	-87.5	-19.6	0	0	0	108.5	N228 N232	N228-D230 VanDerWaalsContact C-N 3.26Å; N228-D230 PolarHBondContact O-N 2.73Å; N228-D230 VanDerWaalsContact O-N 3.07Å; D230-N232 PolarHBondContact O-N 3.27Å
231	H	33.2	Very low	31.4	Very low	120 Å²	120	136.1 Å²	136.1	56%	0.556	67%	0.671	S	S	*	*			trans	-72.8	74.2	172.5	-74.4	-56.7	0	0	0	110.1	I229 L233	I229-H231 PolarHBondContact O-N 3.36Å; H231-L233 PolarHBondContact O-N 3.09Å
232	N	32.8	Very low	31.2	Very low	100 Å²	100	137 Å²	137	54%	0.535	68%	0.68	S	S	.	*			trans	-63.8	132.2	173.3	-156	-47	0	0	0	108.9	D230 K234 D235 F236	D230-N232 PolarHBondContact O-N 3.27Å; N232-K234 PolarHBondContact O-N 2.8Å; N232-D235 PolarHBondContact O-N 3.04Å; N232-F236 PolarHBondContact O-N 3.49Å
233	L	34.4	Very low	31.1	Very low	114 Å²	114	136.2 Å²	136.2	60%	0.597	68%	0.681	S	S	*	*	H	α-helix	trans	-50.2	-29.1	-177.9	-166.7	75.7	0	0	0	112.7	H231 D235 F236 I237	H231-L233 PolarHBondContact O-N 3.09Å; L233-D235 PolarHBondContact O-N 3.1Å; L233-F236 PolarHBondContact O-N 2.68Å; L233-I237 HydrophobicContact CG-CD1 4.33Å; L233-I237 WeakPolarHBondContact O-CG1 3.4Å; L233-I237 PolarHBondContact O-N 2.9Å
234	K	34.3	Very low	31	Very low	147 Å²	147	132.4 Å²	132.4	64%	0.639	68%	0.676	S	S	*	*	H	α-helix	trans	-62.1	-37.1	176.3	-143.7	174.8	-172.8	-177.8	0	113.8	N232 N238	N232-K234 PolarHBondContact O-N 2.8Å; K234-N238 WeakPolarHBondContact O-CB 3.37Å; K234-N238 PolarHBondContact O-N 2.72Å; K234-N238 VanDerWaalsContact O-N 3.14Å; K234-N238 PolarHBondContact O-ND2 2.78Å
235	D	36.2	Very low	30.8	Very low	86 Å²	86	130.9 Å²	130.9	46%	0.46	67%	0.674	S	S	.	*	H	α-helix	trans	-83.6	-22.1	-179.7	-61.3	-30.5	0	0	0	111.7	N232 L233 N239	N232-D235 PolarHBondContact O-N 3.04Å; L233-D235 PolarHBondContact O-N 3.1Å; D235-N239 PolarHBondContact O-ND2 3.37Å
236	F	34.4	Very low	30.8	Very low	109 Å²	109	132 Å²	132	48%	0.478	68%	0.68	S	S	.	*	H	α-helix	trans	-68.7	-42.7	169.8	-161	-95	0	0	0	111.4	N232 L233	N232-F236 PolarHBondContact O-N 3.49Å; L233-F236 PolarHBondContact O-N 2.68Å
237	I	37.9	Very low	30.6	Very low	109 Å²	109	130.9 Å²	130.9	56%	0.559	68%	0.683	S	S	*	*	H	α-helix	trans	-72.8	-36.3	179.4	-65.1	168	0	0	0	111.9	L233 N239	L233-I237 HydrophobicContact CG-CD1 4.33Å; L233-I237 WeakPolarHBondContact O-CG1 3.4Å; L233-I237 PolarHBondContact O-N 2.9Å; I237-N239 VanDerWaalsContact C-N 3.34Å; I237-N239 PolarHBondContact O-N 3.44Å
238	N	35.9	Very low	30.5	Very low	112 Å²	112	127.9 Å²	127.9	60%	0.599	67%	0.672	S	S	*	*	H	α-helix	trans	-74.6	-17.1	-177.6	-73	-22.6	0	0	0	114.7	K234	K234-N238 WeakPolarHBondContact O-CB 3.37Å; K234-N238 PolarHBondContact O-N 2.72Å; K234-N238 VanDerWaalsContact O-N 3.14Å; K234-N238 PolarHBondContact O-ND2 2.78Å
239	N	32.8	Very low	30.3	Very low	116 Å²	116	126.7 Å²	126.7	62%	0.62	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	14.7	-177.1	-77.3	-53.6	0	0	0	113.9	D235 I237 E241	D235-N239 PolarHBondContact O-ND2 3.37Å; I237-N239 VanDerWaalsContact C-N 3.34Å; I237-N239 PolarHBondContact O-N 3.44Å; N239-E241 PolarHBondContact O-N 2.89Å
240	I	29.3	Very low	30	Very low	112 Å²	112	131.1 Å²	131.1	57%	0.574	68%	0.683	S	S	*	*			trans	-94.1	86	176.3	-55.8	178.3	0	0	0	109.4	L242	I240-L242 PolarHBondContact O-N 2.73Å
241	E	27.7	Very low	29.6	Very low	167 Å²	167	136.7 Å²	136.7	78%	0.78	70%	0.695	S	S	*	*			trans	-75.4	105.1	169.9	-73.7	-169.5	158.5	0	0	111.1	N239 N243	N239-E241 PolarHBondContact O-N 2.89Å; E241-N243 PolarHBondContact O-N 3.39Å; E241-N243 VanDerWaalsContact O-N 3.08Å
242	L	26	Very low	29.2	Very low	166 Å²	166	136.1 Å²	136.1	87%	0.869	70%	0.704	S	S	*	*			trans	-74.4	90.9	171.6	-77.3	165.9	0	0	0	110.9	I240	I240-L242 PolarHBondContact O-N 2.73Å
243	N	26.2	Very low	28.7	Very low	142 Å²	142	140 Å²	140	76%	0.759	72%	0.717	S	S	*	*			trans	-95.6	113.4	174.1	-86.7	-52.1	0	0	0	112.5	E241	E241-N243 PolarHBondContact O-N 3.39Å; E241-N243 VanDerWaalsContact O-N 3.08Å
244	G	24.5	Very low	28.2	Very low	66 Å²	66	142.2 Å²	142.2	68%	0.68	73%	0.729	S	S	*	*	S	Bend	trans	98.8	91.9	143.8	0	0	0	0	0	118.9
245	N	26.1	Very low	27.7	Very low	160 Å²	160	143.2 Å²	143.2	86%	0.856	74%	0.741	S	S	*	*			trans	43.8	78.5	134.2	-55.4	-6.4	0	0	0	119.2
246	D	28.5	Very low	27.1	Very low	172 Å²	172	142.7 Å²	142.7	92%	0.92	74%	0.744	S	S	*	*			trans	-153.6	120.7	143	-89.7	-38.8	0	0	0	108.3
247	E	23.9	Very low	26.7	Very low	190 Å²	190	146.2 Å²	146.2	89%	0.888	76%	0.762	S	S	*	*			trans	-79.6	161.5	165.9	-96.7	-170.7	164	0	0	110.1
248	P	26.2	Very low	26	Very low	104 Å²	104	150 Å²	150	68%	0.675	77%	0.771	S	S	*	*			cis	-136.9	-170.9	2.9	34.2	-12.3	0	0	0	115.1
249	S	24.1	Very low	25.6	Very low	101 Å²	101	151.8 Å²	151.8	71%	0.706	78%	0.779	S	S	*	*			trans	69.1	89.4	150.1	63.9	0	0	0	0	120.3
250	Y	24.8	Very low	25.2	Very low	230 Å²	230	152.6 Å²	152.6	90%	0.902	78%	0.783	S	S	*	*				-164.3	70.7	124.2	-131.3	-94	0	0	0	111.8
251	W	23.4	Very low	25.1	Very low	248 Å²	248	153.3 Å²	153.3	94%	0.939	79%	0.788	S	S	*	*			trans	-131	146.7	167.1	-87.9	68.1	0	0	0	109.3
252	S	23.1	Very low	25.2	Very low	107 Å²	107	155 Å²	155	75%	0.748	79%	0.789	S	S	*	*			trans	65.5	113.2	-176.7	72.2	0	0	0	0	116.9
253	F	23.4	Very low	25.1	Very low	183 Å²	183	154.9 Å²	154.9	80%	0.803	78%	0.784	S	S	*	*			trans	-164.5	80.4	134.2	-105.2	-66.2	0	0	0	109.5
254	N	24.4	Very low	25.2	Very low	159 Å²	159	157.4 Å²	157.4	85%	0.85	79%	0.791	S	S	*	*	S	Bend	trans	-168.4	73	155.9	-109.1	-7.3	0	0	0	107.5
255	N	22.1	Very low	25.2	Very low	169 Å²	169	161.1 Å²	161.1	90%	0.904	80%	0.795	S	S	*	*			trans	172.2	86	162.3	-91.3	-16	0	0	0	109.1
256	S	24.8	Very low	25.3	Very low	74 Å²	74	159.9 Å²	159.9	52%	0.517	79%	0.793	S	S	.	*			trans	-171.8	130.5	173.9	52.3	0	0	0	0	108.7
257	Q	25.3	Very low	25.2	Very low	184 Å²	184	159.3 Å²	159.3	86%	0.86	79%	0.785	S	S	*	*			cis	-143.3	131.5	1.3	-88.6	130.9	-6.3	0	0	110.1
258	Y	23.1	Very low	25.3	Very low	189 Å²	189	154.9 Å²	154.9	74%	0.741	78%	0.775	S	S	*	*			trans	-120.9	153.1	147.8	-116.7	-88.9	0	0	0	105.8	E146	E146-Y258 PolarHBondContact OE1-OH 3.14Å
259	I	27.8	Very low	25.3	Very low	149 Å²	149	161.8 Å²	161.8	76%	0.764	79%	0.787	S	S	*	*			trans	83.4	87.3	176.1	-48.5	164	0	0	0	115.3
260	D	25.2	Very low	25.3	Very low	132 Å²	132	162 Å²	162	71%	0.706	79%	0.789	S	S	*	*				53.3	115.3	117.8	-65.4	-14	0	0	0	123.4
261	N	25.9	Very low	25.4	Very low	127 Å²	127	156.8 Å²	156.8	68%	0.679	79%	0.786	S	S	*	*				75.5	145.1	127.1	-59.6	-39	0	0	0	122.6
262	Y	29.6	Very low	25.4	Very low	202 Å²	202	152.4 Å²	152.4	79%	0.792	78%	0.781	S	S	*	*			trans	72.4	106	174.3	-61.5	-78.9	0	0	0	115.9
263	E	24.4	Very low	25.5	Very low	165 Å²	165	157.2 Å²	157.2	77%	0.771	79%	0.792	S	S	*	*				67.8	100.5	75.5	-73	-170.6	150.9	0	0	113.5
264	E	28.2	Very low	25.5	Very low	194 Å²	194	157.4 Å²	157.4	91%	0.907	79%	0.792	S	S	*	*				177.6	161.3	103.1	-95.3	-170.9	152.9	0	0	112
265	D	24.5	Very low	25.4	Very low	145 Å²	145	156.5 Å²	156.5	78%	0.775	79%	0.787	S	S	*	*			trans	-71.9	161.6	-174.5	-71	-62.7	0	0	0	114.7
266	V	28.7	Very low	25.4	Very low	133 Å²	133	153.8 Å²	153.8	81%	0.806	78%	0.776	S	S	*	*				174.5	136.2	107.4	155.8	0	0	0	0	112.5
267	H	25.9	Very low	25.3	Very low	161 Å²	161	159 Å²	159	75%	0.745	79%	0.79	S	S	*	*			trans	-52	149.2	174.7	-46.6	-84	0	0	0	115.9
268	S	26.4	Very low	25.1	Very low	97 Å²	97	158.7 Å²	158.7	68%	0.678	79%	0.786	S	S	*	*				160.3	144.3	90.7	57	0	0	0	0	117
269	W	26.9	Very low	25.1	Very low	248 Å²	248	157.9 Å²	157.9	94%	0.939	79%	0.788	S	S	*	*			trans	71.4	113.2	140.9	-66.1	-13.5	0	0	0	124.4
270	S	23	Very low	24.8	Very low	106 Å²	106	159.7 Å²	159.7	74%	0.741	79%	0.791	S	S	*	*			trans	-59.9	158.7	153.4	56.7	0	0	0	0	115.9
271	S	27.6	Very low	24.7	Very low	121 Å²	121	160 Å²	160	85%	0.846	79%	0.793	S	S	*	*				-167.7	150.9	126.4	36.3	0	0	0	0	114.7
272	N	22.4	Very low	24.6	Very low	155 Å²	155	159.1 Å²	159.1	83%	0.829	80%	0.796	S	S	*	*			trans	-78.6	153.7	-179.1	-62.1	-83.9	0	0	0	113.2
273	Q	26.3	Very low	24.4	Very low	208 Å²	208	154.9 Å²	154.9	97%	0.972	80%	0.796	S	S	*	*			trans	-158.2	172.6	137.5	-116.8	163	80.2	0	0	115.3
274	K	23.2	Very low	24.4	Very low	187 Å²	187	156.8 Å²	156.8	81%	0.813	80%	0.802	S	S	*	*			trans	-129.4	166.4	-153.4	-114.3	177.9	-178.3	170.5	0	112.1
275	L	22.1	Very low	24.2	Very low	140 Å²	140	156 Å²	156	73%	0.733	80%	0.798	S	S	*	*			trans	85.9	97.4	150.7	-72.6	149.9	0	0	0	121.2
276	T	22.1	Very low	24.2	Very low	112 Å²	112	155.1 Å²	155.1	69%	0.687	79%	0.793	S	S	*	*				42.3	124.5	121.3	63.4	0	0	0	0	121.6
277	K	22.9	Very low	24	Very low	184 Å²	184	156.9 Å²	156.9	80%	0.8	79%	0.793	S	S	*	*				157.4	136.1	93.2	-115.7	167.9	-177.3	171.6	0	112.8
278	K	21.6	Very low	23.9	Very low	178 Å²	178	155.1 Å²	155.1	77%	0.774	79%	0.793	S	S	*	*			trans	50.6	115.5	152.5	-66.9	-176.5	174.1	-168.4	0	119.3
279	H	23.7	Very low	23.9	Very low	172 Å²	172	155.5 Å²	155.5	80%	0.796	79%	0.791	S	S	*	*				177.9	113.8	112.2	-95.8	-77.7	0	0	0	107
280	F	21.4	Very low	23.9	Very low	187 Å²	187	150.1 Å²	150.1	82%	0.82	78%	0.781	S	S	*	*				66	125.7	99.3	-109.5	-81.5	0	0	0	115.6
281	N	23.1	Very low	23.9	Very low	138 Å²	138	148.4 Å²	148.4	74%	0.738	77%	0.769	S	S	*	*			trans	86.1	128.1	169.1	-64	-19	0	0	0	120.2
282	S	23.2	Very low	23.9	Very low	109 Å²	109	151.2 Å²	151.2	76%	0.762	77%	0.768	S	S	*	*			trans	51.2	92	148.8	58.9	0	0	0	0	118.9
283	S	24.7	Very low	24	Very low	113 Å²	113	152.1 Å²	152.1	79%	0.79	76%	0.761	S	S	*	*			trans	-161.4	139.8	134	-82.9	0	0	0	0	110	Q285	S283-Q285 PolarHBondContact O-N 2.58Å; S283-Q285 VanDerWaalsContact O-N 3.1Å
284	K	24.7	Very low	23.9	Very low	204 Å²	204	147.2 Å²	147.2	89%	0.887	75%	0.75	S	S	*	*			trans	-74.6	93.6	176.6	-67.3	178.1	177.4	-177.5	0	109.1
285	Q	23.6	Very low	24	Very low	177 Å²	177	145.8 Å²	145.8	83%	0.827	75%	0.746	S	S	*	*			trans	-91.8	128.2	169.1	-77.3	-178.2	-32.1	0	0	109.9	S283 Q287	S283-Q285 PolarHBondContact O-N 2.58Å; S283-Q285 VanDerWaalsContact O-N 3.1Å; Q285-Q287 PolarHBondContact O-N 3.26Å
286	L	24.5	Very low	24.1	Very low	127 Å²	127	146 Å²	146	67%	0.665	75%	0.747	S	S	*	*			trans	-60.8	121.8	167.6	-97.5	106	0	0	0	109.1	N312	L286-N312 WeakPolarHBondContact CD1-ND2 3.32Å
287	Q	24.2	Very low	24.3	Very low	171 Å²	171	147.6 Å²	147.6	80%	0.799	75%	0.747	S	S	*	*			trans	-85.6	108.5	159.3	-74.8	-172	-26.3	0	0	108.4	Q285 T289	Q285-Q287 PolarHBondContact O-N 3.26Å; Q287-T289 HydrophobicContact CB-CG2 4.33Å; Q287-T289 PolarHBondContact O-N 2.84Å; Q287-T289 VanDerWaalsContact O-N 3.16Å
288	V	25.6	Very low	24.4	Very low	124 Å²	124	146.4 Å²	146.4	75%	0.752	75%	0.75	S	S	*	*			trans	-77.6	94.6	165.6	-178.9	0	0	0	0	107.5
289	T	25.7	Very low	24.5	Very low	105 Å²	105	144.9 Å²	144.9	64%	0.644	75%	0.75	S	S	*	*			trans	-95.2	98.7	173.5	49.4	0	0	0	0	110.2	Q287 S291	Q287-T289 HydrophobicContact CB-CG2 4.33Å; Q287-T289 PolarHBondContact O-N 2.84Å; Q287-T289 VanDerWaalsContact O-N 3.16Å; T289-S291 VanDerWaalsContact C-N 3.31Å; T289-S291 PolarHBondContact O-N 3.12Å
290	N	25.7	Very low	24.5	Very low	134 Å²	134	148.1 Å²	148.1	72%	0.717	76%	0.757	S	S	*	*			trans	-67.3	91.9	162.8	-80.5	9.2	0	0	0	109	H292	N290-H292 PolarHBondContact O-N 3.12Å
291	S	24.7	Very low	24.6	Very low	70 Å²	70	147.2 Å²	147.2	49%	0.49	76%	0.755	S	S	.	*			trans	-84.3	105.2	170.4	54.1	0	0	0	0	109.9	T289 Y293	T289-S291 VanDerWaalsContact C-N 3.31Å; T289-S291 PolarHBondContact O-N 3.12Å; S291-Y293 PolarHBondContact O-N 3.29Å; S291-Y293 VanDerWaalsContact O-N 3.08Å
292	H	26.9	Very low	24.8	Very low	180 Å²	180	144 Å²	144	83%	0.833	74%	0.74	S	S	*	*			trans	-69.3	101.2	167	-67.6	-75.1	0	0	0	109.5	N290 S294	N290-H292 PolarHBondContact O-N 3.12Å; H292-S294 PolarHBondContact O-N 3.35Å
293	Y	23.9	Very low	24.9	Very low	174 Å²	174	143.9 Å²	143.9	68%	0.682	75%	0.746	S	S	*	*			trans	-84.4	104.1	167.9	-101.4	-89.4	0	0	0	109.6	S291	S291-Y293 PolarHBondContact O-N 3.29Å; S291-Y293 VanDerWaalsContact O-N 3.08Å
294	S	24.6	Very low	25.1	Very low	106 Å²	106	142.9 Å²	142.9	74%	0.741	73%	0.731	S	S	*	*			trans	-90.7	112.3	159.2	55.2	0	0	0	0	108.2	H292	H292-S294 PolarHBondContact O-N 3.35Å
295	H	25.7	Very low	25.4	Very low	157 Å²	157	140.8 Å²	140.8	73%	0.727	72%	0.724	S	S	*	*			trans	-107.7	100.3	173.4	-150.9	40.3	0	0	0	109.5	H297	H295-H297 PolarHBondContact O-N 3.12Å; H295-H297 VanDerWaalsContact O-N 3.12Å
296	D	24.3	Very low	26	Very low	143 Å²	143	136.7 Å²	136.7	77%	0.765	71%	0.706	S	S	*	*			trans	-68.3	101.3	168.8	-76.2	-38.3	0	0	0	109
297	H	26.1	Very low	26.6	Very low	147 Å²	147	133.9 Å²	133.9	68%	0.681	69%	0.691	S	S	*	*	S	Bend	trans	-167.8	103.5	149.9	-89	-35.6	0	0	0	111.1	H295 N299	H295-H297 PolarHBondContact O-N 3.12Å; H295-H297 VanDerWaalsContact O-N 3.12Å; H297-N299 PolarHBondContact O-N 2.91Å
298	N	24.1	Very low	27.3	Very low	159 Å²	159	131.9 Å²	131.9	85%	0.85	68%	0.677	S	S	*	*	S	Bend	trans	24.1	62.1	148.3	-63.3	-10.9	0	0	0	118
299	N	25.2	Very low	28.1	Very low	146 Å²	146	130 Å²	130	78%	0.781	66%	0.657	S	S	*	*			trans	-160.6	129.8	157.9	-95	-36	0	0	0	109.7	H297 H301	H297-N299 PolarHBondContact O-N 2.91Å; N299-H301 PolarHBondContact O-N 3.34Å; N299-H301 VanDerWaalsContact O-N 3.09Å
300	Y	22.6	Very low	28.9	Very low	239 Å²	239	128.6 Å²	128.6	94%	0.937	65%	0.648	S	S	*	*			trans	-75.7	96.9	178.5	-79.5	-98.5	0	0	0	110.1
301	H	24.5	Very low	29.9	Very low	169 Å²	169	122.9 Å²	122.9	78%	0.782	62%	0.619	S	S	*	*			trans	-129.5	121.9	161.8	-86.8	-72.9	0	0	0	110.8	N299	N299-H301 PolarHBondContact O-N 3.34Å; N299-H301 VanDerWaalsContact O-N 3.09Å
302	T	26.9	Very low	30.6	Very low	69 Å²	69	124.4 Å²	124.4	42%	0.423	62%	0.621	S	S	.	*			trans	1.5	124.8	155.3	47.3	0	0	0	0	116.5	L304	T302-L304 PolarHBondContact O-N 3.41Å
303	A	25.6	Very low	31.3	Very low	108 Å²	108	122.4 Å²	122.4	89%	0.893	62%	0.615	S	S	*	*			trans	-67.1	67.6	162.4	0	0	0	0	0	111.5	Q305	A303-Q305 PolarHBondContact O-N 3.07Å
304	L	28.5	Very low	32.6	Very low	92 Å²	92	116.7 Å²	116.7	48%	0.482	60%	0.6	S	S	.	*			trans	-64	117	169.3	-79.6	160	0	0	0	107.7	T302 Q306	T302-L304 PolarHBondContact O-N 3.41Å; L304-Q306 HydrophobicContact CB-CG 4.12Å; L304-Q306 PolarHBondContact O-N 3.03Å
305	Q	31.1	Very low	33.6	Very low	159 Å²	159	117.5 Å²	117.5	74%	0.743	60%	0.596	S	S	*	*			trans	-67.5	84.7	161.9	-73	-175.5	-19.7	0	0	107.9	A303 N307	A303-Q305 PolarHBondContact O-N 3.07Å; Q305-N307 PolarHBondContact O-N 3.28Å; Q305-N307 VanDerWaalsContact O-N 3.11Å
306	Q	35.5	Very low	34.6	Very low	92 Å²	92	115.4 Å²	115.4	43%	0.43	59%	0.585	S	S	.	*			trans	-72.6	100.3	171.8	-68.9	-174	-9.6	0	0	108	L304 Y308	L304-Q306 HydrophobicContact CB-CG 4.12Å; L304-Q306 PolarHBondContact O-N 3.03Å; Q306-Y308 HydrophobicContact CB-CD2 4.45Å; Q306-Y308 HydrophobicContact CB-CE2 3.95Å; Q306-Y308 VanDerWaalsContact O-CD2 3.3Å; Q306-Y308 WeakPolarHBondContact O-CD2 3.36Å; Q306-Y308 PolarHBondContact O-N 3.5Å; Q306-Y308 PolarHBondContact OE1-OH 3.3Å
307	N	36.7	Very low	35.7	Very low	67 Å²	67	113.6 Å²	113.6	36%	0.358	57%	0.572	S	S	.	*			trans	-71.3	114.2	168.1	-68.2	-34.5	0	0	0	108	Q305 Y309 F319 E320	Q305-N307 PolarHBondContact O-N 3.28Å; Q305-N307 VanDerWaalsContact O-N 3.11Å; N307-Y309 HydrophobicContact CB-CD2 4.47Å; N307-Y309 HydrophobicContact CB-CE2 3.47Å; N307-Y309 VanDerWaalsContact CB-CE2 3.47Å; N307-Y309 VanDerWaalsContact CB-OH 3.29Å; N307-Y309 WeakPolarHBondContact CB-OH 3.27Å; N307-Y309 WeakPolarHBondContact O-CD2 3.49Å; N307-Y309 VanDerWaalsContact O-CE2 3.27Å; N307-Y309 WeakPolarHBondContact O-CE2 3.29Å; N307-F319 WeakPolarHBondContact O-CA 3.42Å; N307-E320 HydrophobicContact CB-CB 4.17Å; N307-E320 PolarHBondContact ND2-OE2 3.25Å; N307-E320 PolarHBondContact O-N 3.18Å; N307-E320 VanDerWaalsContact O-N 3.09Å
308	Y	40	Very low	36.4	Very low	129 Å²	129	107.8 Å²	107.8	51%	0.506	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129	175.2	-69	-83.3	0	0	0	110.3	Q306	Q306-Y308 HydrophobicContact CB-CD2 4.45Å; Q306-Y308 HydrophobicContact CB-CE2 3.95Å; Q306-Y308 VanDerWaalsContact O-CD2 3.3Å; Q306-Y308 WeakPolarHBondContact O-CD2 3.36Å; Q306-Y308 PolarHBondContact O-N 3.5Å; Q306-Y308 PolarHBondContact OE1-OH 3.3Å
309	Y	42.2	Very low	37.3	Very low	86 Å²	86	102.5 Å²	102.5	34%	0.337	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.1	176.5	-51.3	-97.1	0	0	0	110.3	N307 H317 Y318 E320	N307-Y309 HydrophobicContact CB-CD2 4.47Å; N307-Y309 HydrophobicContact CB-CE2 3.47Å; N307-Y309 VanDerWaalsContact CB-CE2 3.47Å; N307-Y309 VanDerWaalsContact CB-OH 3.29Å; N307-Y309 WeakPolarHBondContact CB-OH 3.27Å; N307-Y309 WeakPolarHBondContact O-CD2 3.49Å; N307-Y309 VanDerWaalsContact O-CE2 3.27Å; N307-Y309 WeakPolarHBondContact O-CE2 3.29Å; Y309-H317 WeakPolarHBondContact O-CA 3.23Å; Y309-Y318 PolarHBondContact N-O 2.75Å; Y309-Y318 PolarHBondContact O-N 3.46Å; Y309-E320 HydrophobicContact CE2-CB 3.88Å; Y309-E320 PolarHBondContact OH-OE2 2.87Å
310	V	42.4	Very low	38	Very low	74 Å²	74	99.1 Å²	99.1	45%	0.448	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.2	174.1	-177	0	0	0	0	108.1	N312	V310-N312 PolarHBondContact O-N 2.87Å
311	C	47.3	Very low	38.7	Very low	15 Å²	15	91.8 Å²	91.8	10%	0.101	47%	0.467	C	S	.	.			trans	-79.3	115.4	176.3	176.7	0	0	0	0	110.8	I313 C314 N315 K316 Y318	C311-I313 PolarHBondContact O-N 2.83Å; C311-I313 PolarHBondContact SG-N 3.02Å; C311-C314 VanDerWaalsContact CB-SG 3.56Å; C311-C314 PolarHBondContact O-N 3.02Å; C311-N315 WeakPolarHBondContact O-CA 3.39Å; C311-N315 PolarHBondContact O-N 3.02Å; C311-K316 PolarHBondContact N-O 3.37Å; C311-Y318 HydrophobicContact CB-CD2 4.33Å; C311-Y318 HydrophobicContact CB-CE2 3.55Å
312	N	39.5	Very low	39.2	Very low	101 Å²	101	88 Å²	88	54%	0.54	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-8.8	179	-70.6	-33.6	0	0	0	115.3	L286 V310	L286-N312 WeakPolarHBondContact CD1-ND2 3.32Å; V310-N312 PolarHBondContact O-N 2.87Å
313	I	40.9	Very low	39.5	Very low	139 Å²	139	89.5 Å²	89.5	71%	0.713	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-38.7	180	-59.9	174.1	0	0	0	111.2	C311	C311-I313 PolarHBondContact O-N 2.83Å; C311-I313 PolarHBondContact SG-N 3.02Å
314	C	51	Low	39.8	Very low	54 Å²	54	95 Å²	95	37%	0.365	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	2.6	-173.6	65.4	0	0	0	0	114.8	C311 K316	C311-C314 VanDerWaalsContact CB-SG 3.56Å; C311-C314 PolarHBondContact O-N 3.02Å; C314-K316 HydrophobicContact CB-CG 4.41Å; C314-K316 PolarHBondContact O-N 3.46Å
315	N	46	Very low	40	Very low	123 Å²	123	99.3 Å²	99.3	66%	0.658	48%	0.475	S	S	*	.			trans	53.1	14.8	-174.9	-76	-0.9	0	0	0	115.4	C311	C311-N315 WeakPolarHBondContact O-CA 3.39Å; C311-N315 PolarHBondContact O-N 3.02Å
316	K	46.6	Very low	39.9	Very low	112 Å²	112	97.3 Å²	97.3	49%	0.487	47%	0.469	S	S	.	.			trans	-73.7	140.7	176.2	-69.5	-174.2	176.7	-170.9	0	110.9	C311 C314 Y318 T331	C311-K316 PolarHBondContact N-O 3.37Å; C314-K316 HydrophobicContact CB-CG 4.41Å; C314-K316 PolarHBondContact O-N 3.46Å; K316-Y318 HydrophobicContact CB-CD2 4.47Å; K316-Y318 HydrophobicContact CB-CE2 3.64Å; K316-Y318 VanDerWaalsContact O-CD2 3.3Å; K316-Y318 WeakPolarHBondContact O-CD2 3.28Å; K316-Y318 VanDerWaalsContact O-CE2 3.28Å; K316-Y318 WeakPolarHBondContact O-CE2 3.3Å; K316-T331 HydrophobicContact CD-CG2 4.4Å
317	H	46	Very low	39.7	Very low	106 Å²	106	101.4 Å²	101.4	49%	0.491	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	138.1	170.4	-66.1	-87.6	0	0	0	109.8	Y309 I332	Y309-H317 WeakPolarHBondContact O-CA 3.23Å; H317-I332 HydrophobicContact CB-CD1 4.11Å
318	Y	41.2	Very low	39.4	Very low	25 Å²	25	103.4 Å²	103.4	10%	0.098	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.7	177.4	-59.8	-90.8	0	0	0	108.6	Y309 C311 K316 F329 T331	Y309-Y318 PolarHBondContact N-O 2.75Å; Y309-Y318 PolarHBondContact O-N 3.46Å; C311-Y318 HydrophobicContact CB-CD2 4.33Å; C311-Y318 HydrophobicContact CB-CE2 3.55Å; K316-Y318 HydrophobicContact CB-CD2 4.47Å; K316-Y318 HydrophobicContact CB-CE2 3.64Å; K316-Y318 VanDerWaalsContact O-CD2 3.3Å; K316-Y318 WeakPolarHBondContact O-CD2 3.28Å; K316-Y318 VanDerWaalsContact O-CE2 3.28Å; K316-Y318 WeakPolarHBondContact O-CE2 3.3Å; Y318-F329 HydrophobicContact CD1-CB 3.92Å; Y318-F329 HydrophobicContact CD1-CD1 4.01Å; Y318-F329 HydrophobicContact CD1-CG 4.22Å; Y318-F329 HydrophobicContact CE1-CB 4.37Å; Y318-F329 HydrophobicContact CG-CD1 4.28Å; Y318-T331 HydrophobicContact CE1-CG2 4.26Å
319	F	43.8	Very low	39.1	Very low	48 Å²	48	101.9 Å²	101.9	21%	0.211	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.5	172.2	54.6	-83	0	0	0	108.8	N307 Q321 N330 I332	N307-F319 WeakPolarHBondContact O-CA 3.42Å; F319-Q321 HydrophobicContact CD2-CB 4.09Å; F319-Q321 HydrophobicContact CE2-CB 4.14Å; F319-Q321 HydrophobicContact CE2-CG 4.46Å; F319-Q321 PolarHBondContact O-N 2.95Å; F319-N330 HydrophobicContact CE1-CB 3.89Å; F319-N330 WeakPolarHBondContact CE1-O 3.48Å; F319-N330 HydrophobicContact CE2-CB 4.06Å; F319-N330 HydrophobicContact CZ-CB 3.44Å; F319-N330 VanDerWaalsContact CZ-CB 3.44Å; F319-I332 HydrophobicContact CD1-CD1 4.42Å; F319-I332 HydrophobicContact CD1-CG1 4.21Å; F319-I332 HydrophobicContact CE1-CG1 3.97Å
320	E	39.3	Very low	38.8	Very low	74 Å²	74	101 Å²	101	35%	0.346	50%	0.501	S	S	.	.			trans	-80.5	104.3	168.5	-176.8	170.4	-123.9	0	0	108	N307 Y309 N322	N307-E320 HydrophobicContact CB-CB 4.17Å; N307-E320 PolarHBondContact ND2-OE2 3.25Å; N307-E320 PolarHBondContact O-N 3.18Å; N307-E320 VanDerWaalsContact O-N 3.09Å; Y309-E320 HydrophobicContact CE2-CB 3.88Å; Y309-E320 PolarHBondContact OH-OE2 2.87Å; E320-N322 PolarHBondContact O-N 3.24Å
321	Q	38.2	Very low	38.4	Very low	85 Å²	85	101 Å²	101	40%	0.397	50%	0.502	S	S	.	.			trans	-84.9	108	173.3	-163.9	170.4	-15.5	0	0	106.8	F319 D323 N330	F319-Q321 HydrophobicContact CD2-CB 4.09Å; F319-Q321 HydrophobicContact CE2-CB 4.14Å; F319-Q321 HydrophobicContact CE2-CG 4.46Å; F319-Q321 PolarHBondContact O-N 2.95Å; Q321-D323 VanDerWaalsContact CD-OD2 3.27Å; Q321-D323 WeakPolarHBondContact CG-OD2 3.34Å; Q321-D323 PolarHBondContact NE2-OD2 2.94Å; Q321-D323 PolarHBondContact O-N 3.37Å; Q321-N330 PolarHBondContact OE1-ND2 3Å
322	N	34.1	Very low	37.8	Very low	90 Å²	90	104.4 Å²	104.4	48%	0.481	52%	0.518	S	S	.	.			trans	-74.3	47.3	178.8	-81.1	-42.2	0	0	0	112.2	E320	E320-N322 PolarHBondContact O-N 3.24Å
323	D	33	Very low	37.5	Very low	100 Å²	100	105.9 Å²	105.9	54%	0.535	53%	0.526	S	S	.	.			trans	-84.4	113.1	168.1	-71.5	-25.4	0	0	0	107.8	Q321 H325	Q321-D323 VanDerWaalsContact CD-OD2 3.27Å; Q321-D323 WeakPolarHBondContact CG-OD2 3.34Å; Q321-D323 PolarHBondContact NE2-OD2 2.94Å; Q321-D323 PolarHBondContact O-N 3.37Å; D323-H325 PolarHBondContact O-N 3.16Å
324	Y	32.5	Very low	37	Very low	224 Å²	224	108.4 Å²	108.4	88%	0.878	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	86.4	167	-82.5	-107.3	0	0	0	108.4
325	H	32.5	Very low	36.1	Very low	183 Å²	183	114.8 Å²	114.8	85%	0.847	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177.8	-19.7	139.3	-98.9	-60.1	0	0	0	114.7	D323	D323-H325 PolarHBondContact O-N 3.16Å
326	D	29.8	Very low	35.2	Very low	117 Å²	117	118.6 Å²	118.6	63%	0.626	57%	0.566	S	S	*	*			trans	-135.4	126.5	-179.5	-85.5	-51.6	0	0	0	113.5	L328	D326-L328 HydrophobicContact CB-CB 4.38Å; D326-L328 HydrophobicContact CB-CD1 3.84Å; D326-L328 HydrophobicContact CB-CG 4.07Å; D326-L328 PolarHBondContact O-N 2.81Å
327	N	31.4	Very low	34.1	Very low	177 Å²	177	119.8 Å²	119.8	95%	0.947	58%	0.576	S	S	*	*			trans	-76.4	54.8	171.1	-71.2	-61.2	0	0	0	111.4
328	L	29.7	Very low	33.1	Very low	110 Å²	110	120.2 Å²	120.2	58%	0.576	59%	0.588	S	S	*	*			trans	-94.8	107.3	-177.3	-84.1	167.4	0	0	0	111.5	D326 N330	D326-L328 HydrophobicContact CB-CB 4.38Å; D326-L328 HydrophobicContact CB-CD1 3.84Å; D326-L328 HydrophobicContact CB-CG 4.07Å; D326-L328 PolarHBondContact O-N 2.81Å; L328-N330 PolarHBondContact O-N 3.46Å
329	F	34.2	Very low	32.3	Very low	96 Å²	96	124.9 Å²	124.9	42%	0.421	62%	0.619	S	S	.	*			trans	-70.2	91	167.7	-84.4	-65.3	0	0	0	110.7	Y318 T331	Y318-F329 HydrophobicContact CD1-CB 3.92Å; Y318-F329 HydrophobicContact CD1-CD1 4.01Å; Y318-F329 HydrophobicContact CD1-CG 4.22Å; Y318-F329 HydrophobicContact CE1-CB 4.37Å; Y318-F329 HydrophobicContact CG-CD1 4.28Å; F329-T331 PolarHBondContact O-N 3.32Å
330	N	35.9	Very low	31.3	Very low	67 Å²	67	130.2 Å²	130.2	36%	0.358	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-67.6	122	177.2	-77.1	-32.3	0	0	0	111.4	F319 Q321 L328	F319-N330 HydrophobicContact CE1-CB 3.89Å; F319-N330 WeakPolarHBondContact CE1-O 3.48Å; F319-N330 HydrophobicContact CE2-CB 4.06Å; F319-N330 HydrophobicContact CZ-CB 3.44Å; F319-N330 VanDerWaalsContact CZ-CB 3.44Å; Q321-N330 PolarHBondContact OE1-ND2 3Å; L328-N330 PolarHBondContact O-N 3.46Å
331	T	34.4	Very low	30.6	Very low	76 Å²	76	132.3 Å²	132.3	47%	0.466	66%	0.664	S	S	.	*	B	Isolated β-bridge	trans	-81.4	129.8	173.3	49.3	0	0	0	0	111	K316 Y318 F329 N333	K316-T331 HydrophobicContact CD-CG2 4.4Å; Y318-T331 HydrophobicContact CE1-CG2 4.26Å; F329-T331 PolarHBondContact O-N 3.32Å; T331-N333 PolarHBondContact O-N 2.78Å
332	I	34.4	Very low	29.8	Very low	85 Å²	85	133.5 Å²	133.5	44%	0.436	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-69.4	120.3	171.2	-57.7	176.1	0	0	0	109.1	H317 F319	H317-I332 HydrophobicContact CB-CD1 4.11Å; F319-I332 HydrophobicContact CD1-CD1 4.42Å; F319-I332 HydrophobicContact CD1-CG1 4.21Å; F319-I332 HydrophobicContact CE1-CG1 3.97Å
333	N	31.6	Very low	29.4	Very low	132 Å²	132	138.1 Å²	138.1	71%	0.706	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-71.3	140.9	165.4	-76.4	-21	0	0	0	109.5	T331 E335	T331-N333 PolarHBondContact O-N 2.78Å; N333-E335 PolarHBondContact O-N 2.87Å
334	E	32.3	Very low	28.8	Very low	192 Å²	192	139.3 Å²	139.3	90%	0.897	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	13.1	-164.6	-60	-177.1	146.5	0	0	116.5
335	E	31.5	Very low	28.3	Very low	188 Å²	188	136.5 Å²	136.5	88%	0.879	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-14.2	-177.6	-73.5	-172.3	135.5	0	0	115.1	N333 I337	N333-E335 PolarHBondContact O-N 2.87Å; E335-I337 PolarHBondContact O-N 3.37Å
336	Y	26	Very low	27.9	Very low	204 Å²	204	132.9 Å²	132.9	80%	0.8	70%	0.701	S	S	*	*			trans	-96.5	86.6	178.8	-101.8	-98.1	0	0	0	112.7
337	I	23.5	Very low	27.6	Very low	136 Å²	136	135.1 Å²	135.1	70%	0.697	71%	0.713	S	S	*	*			trans	-113.5	97.3	167	-56.4	176.6	0	0	0	108.9	E335 V339	E335-I337 PolarHBondContact O-N 3.37Å; I337-V339 PolarHBondContact O-N 2.98Å; I337-V339 VanDerWaalsContact O-N 3.15Å
338	P	25.8	Very low	27.2	Very low	116 Å²	116	136.2 Å²	136.2	75%	0.753	71%	0.705	S	S	*	*			trans	-72.8	106.3	175.8	-16.1	31.6	0	0	0	110.8
339	V	24.3	Very low	27	Very low	123 Å²	123	138.6 Å²	138.6	75%	0.745	72%	0.717	S	S	*	*			trans	-76.3	128.1	172.9	178.1	0	0	0	0	109.2	I337 P341	I337-V339 PolarHBondContact O-N 2.98Å; I337-V339 VanDerWaalsContact O-N 3.15Å; V339-P341 VanDerWaalsContact O-CD 3.29Å; V339-P341 WeakPolarHBondContact O-CD 3.48Å
340	H	23.2	Very low	26.6	Very low	159 Å²	159	139.6 Å²	139.6	74%	0.736	73%	0.726	S	S	*	*			trans	-58.3	133.9	174.7	-80.2	-73	0	0	0	112.8
341	P	23.7	Very low	26	Very low	118 Å²	118	146 Å²	146	77%	0.766	75%	0.752	S	S	*	*			trans	-116.3	136.8	151.8	19.5	1.3	0	0	0	111.1	V339	V339-P341 VanDerWaalsContact O-CD 3.29Å; V339-P341 WeakPolarHBondContact O-CD 3.48Å
342	S	23	Very low	25.5	Very low	110 Å²	110	151 Å²	151	77%	0.769	77%	0.769	S	S	*	*			trans	-83	124.2	171.1	51	0	0	0	0	111
343	E	23.8	Very low	25	Very low	188 Å²	188	151.2 Å²	151.2	88%	0.879	78%	0.784	S	S	*	*			trans	-169.7	150.6	141.9	-108.9	157.9	-155.3	0	0	112.4
344	V	22.1	Very low	24.6	Very low	125 Å²	125	155.2 Å²	155.2	76%	0.758	80%	0.795	S	S	*	*			trans	-110.8	129.1	-168.8	172.3	0	0	0	0	110	T346	V344-T346 HydrophobicContact CG1-CG2 4.2Å
345	I	21.6	Very low	24.2	Very low	164 Å²	164	153 Å²	153	84%	0.841	79%	0.794	S	S	*	*			trans	-133.2	136	157.6	-60.8	-176.2	0	0	0	108.6
346	T	22.9	Very low	23.9	Very low	108 Å²	108	149.5 Å²	149.5	66%	0.663	78%	0.781	S	S	*	*			trans	-114.6	131.3	-175.2	47.2	0	0	0	0	110.4	V344	V344-T346 HydrophobicContact CG1-CG2 4.2Å
347	D	23.8	Very low	23.8	Very low	163 Å²	163	145.9 Å²	145.9	87%	0.872	78%	0.783	S	S	*	*			trans	-138.8	121.5	158	-89.9	-44.6	0	0	0	110
348	Y	23.7	Very low	23.9	Very low	201 Å²	201	148.8 Å²	148.8	79%	0.788	79%	0.785	S	S	*	*			trans	-103.6	133.5	179.5	-116.2	-108.8	0	0	0	108.3
349	I	25.5	Very low	24.1	Very low	160 Å²	160	155.3 Å²	155.3	82%	0.821	80%	0.795	S	S	*	*			trans	-131.8	111.5	162.7	-59.8	-176.9	0	0	0	108.7
350	D	25.1	Very low	24.1	Very low	116 Å²	116	159.9 Å²	159.9	62%	0.62	81%	0.805	S	S	*	*			trans	-73.3	142.1	-175.7	-78.8	-53.3	0	0	0	113.7
351	F	22.9	Very low	24.3	Very low	203 Å²	203	155.3 Å²	155.3	89%	0.89	80%	0.8	S	S	*	*			trans	-117.2	45.3	161	-105.1	-82.6	0	0	0	112
352	H	24.1	Very low	24.5	Very low	181 Å²	181	156.4 Å²	156.4	84%	0.838	80%	0.8	S	S	*	*			trans	-134.5	80.3	171	-79.9	-48.9	0	0	0	111.5
353	A	23.8	Very low	24.6	Very low	89 Å²	89	161.7 Å²	161.7	74%	0.736	80%	0.803	S	S	*	*			trans	-147.7	62.3	-178.6	0	0	0	0	0	114.8
354	F	23.2	Very low	24.6	Very low	216 Å²	216	160.2 Å²	160.2	95%	0.947	80%	0.801	S	S	*	*			trans	-140.6	74.9	156.7	-102.5	-79.5	0	0	0	110.9
355	V	25.6	Very low	24.8	Very low	145 Å²	145	162.7 Å²	162.7	88%	0.879	80%	0.802	S	S	*	*	S	Bend	trans	-129.1	123.1	167	179.6	0	0	0	0	109.2
356	D	24.5	Very low	25	Very low	114 Å²	114	165.6 Å²	165.6	61%	0.61	80%	0.802	S	S	*	*			trans	-28	122.8	-174.9	-170.8	1.3	0	0	0	117	R358	D356-R358 PolarHBondContact O-N 3.43Å; D356-R358 IonicContact OD1-NE 3.07Å
357	P	24.1	Very low	25	Very low	128 Å²	128	167.8 Å²	167.8	83%	0.831	81%	0.808	S	S	*	*	S	Bend	trans	-77.4	52.8	-177.2	34.3	-38.4	0	0	0	113.8
358	R	25.5	Very low	25.1	Very low	198 Å²	198	167.2 Å²	167.2	75%	0.747	80%	0.804	S	S	*	*			trans	-140.8	60.9	-178.5	-60.2	-170.4	-153.9	-159.2	5.5	116.1	D356	D356-R358 PolarHBondContact O-N 3.43Å; D356-R358 IonicContact OD1-NE 3.07Å
359	R	28.8	Very low	25.1	Very low	252 Å²	252	163.5 Å²	163.5	95%	0.951	80%	0.797	S	S	*	*			trans	-167.6	89.4	146.3	-101.3	142.5	-161.3	-144.2	6.5	112.5	G361	R359-G361 PolarHBondContact O-N 2.82Å
360	K	25.9	Very low	25.1	Very low	220 Å²	220	163.9 Å²	163.9	96%	0.957	80%	0.795	S	S	*	*			trans	-64.1	127.3	157.5	-77.6	178	173.8	175.1	0	108.9
361	G	26.2	Very low	25	Very low	62 Å²	62	162.9 Å²	162.9	64%	0.639	80%	0.797	S	S	*	*			trans	159.5	106.5	163.4	0	0	0	0	0	115.9	R359	R359-G361 PolarHBondContact O-N 2.82Å
362	N	28	Very low	25	Very low	142 Å²	142	164.6 Å²	164.6	76%	0.759	80%	0.798	S	S	*	*			trans	58.3	117.5	142.8	-66.3	-15.8	0	0	0	118.4
363	W	25.2	Very low	25	Very low	220 Å²	220	166.7 Å²	166.7	83%	0.833	80%	0.798	S	S	*	*			cis	-170.2	140.4	29.8	-90.6	-18	0	0	0	111.5	K365	W363-K365 PolarHBondContact O-N 3.49Å
364	N	23.1	Very low	25	Very low	157 Å²	157	173.1 Å²	173.1	84%	0.84	80%	0.803	S	S	*	*			trans	-65.8	122.8	150.1	-78.1	-30.3	0	0	0	109.8
365	K	27.2	Very low	25	Very low	178 Å²	178	167.2 Å²	167.2	77%	0.774	79%	0.789	S	S	*	*			trans	-178.6	136.1	141.5	-104	151.6	-170.9	171.1	0	115	W363	W363-K365 PolarHBondContact O-N 3.49Å
366	R	26	Very low	24.9	Very low	224 Å²	224	164.9 Å²	164.9	85%	0.845	78%	0.778	S	S	*	*			trans	81	88.7	151.3	-64.6	170.7	-176.7	178.1	0.2	119
367	I	23.4	Very low	24.9	Very low	155 Å²	155	168.4 Å²	168.4	80%	0.795	79%	0.79	S	S	*	*				-21.4	133.9	120.1	-53.7	164.2	0	0	0	112.4
368	I	25.6	Very low	25	Very low	151 Å²	151	167.4 Å²	167.4	77%	0.774	79%	0.787	S	S	*	*			trans	-179.9	138.4	130.4	-91.1	153.2	0	0	0	111.1
369	N	23.8	Very low	25	Very low	122 Å²	122	162.9 Å²	162.9	65%	0.652	78%	0.784	S	S	*	*			trans	-43.9	146.6	173.6	-53.3	-33.4	0	0	0	115.8
370	H	24.7	Very low	24.9	Very low	168 Å²	168	155 Å²	155	78%	0.778	77%	0.768	S	S	*	*				157.1	133.4	108.5	-87.6	-64.9	0	0	0	114.1
371	S	22.6	Very low	24.9	Very low	95 Å²	95	150.9 Å²	150.9	66%	0.664	76%	0.756	S	S	*	*			trans	-38.7	130.7	153.5	54.4	0	0	0	0	115.4
372	R	23.9	Very low	25.1	Very low	240 Å²	240	156.9 Å²	156.9	91%	0.906	77%	0.765	S	S	*	*				172.4	116	122.7	-94.8	165.3	-178.4	-169.2	1.6	113.7
373	R	23.2	Very low	25	Very low	225 Å²	225	155.1 Å²	155.1	85%	0.849	76%	0.763	S	S	*	*			trans	30.3	140	130.5	-100.5	-176	176.8	-171.3	-0.6	121.5
374	R	23.9	Very low	25.1	Very low	223 Å²	223	153.5 Å²	153.5	84%	0.842	77%	0.765	S	S	*	*			trans	81	147.6	157.1	-67.1	177.2	177.6	-178.5	-1.5	116.3
375	S	23.5	Very low	25.4	Very low	92 Å²	92	154.9 Å²	154.9	64%	0.643	77%	0.767	S	S	*	*			cis	-176.3	169.2	-17.1	50.6	0	0	0	0	110.5
376	C	23.8	Very low	25.2	Very low	96 Å²	96	156 Å²	156	65%	0.649	77%	0.767	S	S	*	*			trans	78.5	115.5	163.8	-52.7	0	0	0	0	115.9
377	H	25.3	Very low	25.3	Very low	188 Å²	188	152.7 Å²	152.7	87%	0.87	77%	0.766	S	S	*	*				80.9	139.3	82.4	-61.5	-18.2	0	0	0	112.9
378	S	26.3	Very low	25.4	Very low	108 Å²	108	151.9 Å²	151.9	76%	0.755	76%	0.764	S	S	*	*			cis	-138	-177.5	-1	61.1	0	0	0	0	108.6
379	C	25.3	Very low	25.4	Very low	103 Å²	103	155.3 Å²	155.3	70%	0.696	77%	0.767	S	S	*	*			cis	-113.7	-171.5	6.5	-72.9	0	0	0	0	110.8
380	S	26.1	Very low	25.6	Very low	87 Å²	87	158.2 Å²	158.2	61%	0.608	77%	0.774	S	S	*	*			cis	81	124.2	18.2	122.4	0	0	0	0	114.7
381	D	26.7	Very low	25.7	Very low	133 Å²	133	156.9 Å²	156.9	71%	0.711	77%	0.772	S	S	*	*			cis	-153.7	161.6	16.7	-88.9	-54.8	0	0	0	115.3
382	K	29.9	Very low	25.8	Very low	187 Å²	187	160 Å²	160	81%	0.813	78%	0.776	S	S	*	*			trans	75.9	96.5	164.3	-66.5	157	-170	-178.4	0	117.1
383	S	25.4	Very low	25.9	Very low	105 Å²	105	156 Å²	156	73%	0.734	77%	0.767	S	S	*	*				78.8	127.9	81.5	68.3	0	0	0	0	112.3
384	E	28.5	Very low	26	Very low	186 Å²	186	152.4 Å²	152.4	87%	0.869	77%	0.765	S	S	*	*			cis	-135.5	-174.3	29.1	-68.8	174.8	148.5	0	0	114.1
385	E	28.1	Very low	26	Very low	187 Å²	187	150 Å²	150	87%	0.874	76%	0.761	S	S	*	*			trans	-65.2	135.7	-149	-64	172.7	134.7	0	0	119.3
386	Y	23.5	Very low	26.1	Very low	201 Å²	201	152 Å²	152	79%	0.788	76%	0.763	S	S	*	*			trans	-69.2	134.5	158.8	-99.9	-107.3	0	0	0	111.2
387	N	28.6	Very low	26.2	Very low	154 Å²	154	155 Å²	155	82%	0.824	77%	0.768	S	S	*	*			trans	-121.2	103.6	153.5	-106	-47.6	0	0	0	110	R389	N387-R389 PolarHBondContact O-N 3.33Å; N387-R389 VanDerWaalsContact O-N 3.11Å
388	N	24.9	Very low	26.2	Very low	139 Å²	139	152.2 Å²	152.2	74%	0.743	76%	0.759	S	S	*	*			trans	-68.2	105.1	174.8	-71.6	-53.7	0	0	0	110.1
389	R	26.1	Very low	26.2	Very low	222 Å²	222	151.4 Å²	151.4	84%	0.838	75%	0.753	S	S	*	*			trans	-106.4	129.9	154.1	-72.8	-173.2	176.1	-176	-0.9	108.2	N387 D391	N387-R389 PolarHBondContact O-N 3.33Å; N387-R389 VanDerWaalsContact O-N 3.11Å; R389-D391 PolarHBondContact O-N 2.99Å
390	K	27.6	Very low	26.4	Very low	184 Å²	184	151.4 Å²	151.4	80%	0.8	75%	0.745	S	S	*	*			trans	-77.8	108.4	171.4	-72.6	178.3	173.8	-177.7	0	107	H392	K390-H392 VanDerWaalsContact C-N 3.34Å; K390-H392 PolarHBondContact O-N 2.82Å
391	D	26.2	Very low	26.4	Very low	139 Å²	139	149.5 Å²	149.5	74%	0.743	73%	0.732	S	S	*	*			trans	-70.3	90.3	177.4	-65.1	-44.8	0	0	0	110.5	R389 H393	R389-D391 PolarHBondContact O-N 2.99Å; D391-H393 PolarHBondContact O-N 3.09Å; D391-H393 VanDerWaalsContact O-N 3.12Å
392	H	25.6	Very low	26.5	Very low	161 Å²	161	148.1 Å²	148.1	75%	0.745	72%	0.724	S	S	*	*			trans	-81.4	55.8	162.6	-79.1	-70.2	0	0	0	110.3	K390 N394	K390-H392 VanDerWaalsContact C-N 3.34Å; K390-H392 PolarHBondContact O-N 2.82Å; H392-N394 PolarHBondContact O-N 2.88Å; H392-N394 VanDerWaalsContact O-N 3.12Å
393	H	26	Very low	26.7	Very low	155 Å²	155	142 Å²	142	72%	0.718	70%	0.698	S	S	*	*			trans	-84.2	64.6	169.3	-99.9	-68.8	0	0	0	110.8	D391 F395	D391-H393 PolarHBondContact O-N 3.09Å; D391-H393 VanDerWaalsContact O-N 3.12Å; H393-F395 PolarHBondContact O-N 3.26Å; H393-F395 VanDerWaalsContact O-N 3.12Å
394	N	25.2	Very low	27	Very low	150 Å²	150	142.5 Å²	142.5	80%	0.802	69%	0.693	S	S	*	*			trans	-81.1	37.9	165.4	-84.2	7.9	0	0	0	111.7	H392 I396	H392-N394 PolarHBondContact O-N 2.88Å; H392-N394 VanDerWaalsContact O-N 3.12Å; N394-I396 PolarHBondContact O-N 3.11Å
395	F	24.4	Very low	27.2	Very low	173 Å²	173	136.2 Å²	136.2	76%	0.759	67%	0.665	S	S	*	*			trans	-86.1	95.8	162.8	-107	-89.3	0	0	0	107.2	H393 Q397	H393-F395 PolarHBondContact O-N 3.26Å; H393-F395 VanDerWaalsContact O-N 3.12Å; F395-Q397 PolarHBondContact O-N 2.84Å
396	I	25.6	Very low	27.4	Very low	134 Å²	134	131.9 Å²	131.9	69%	0.687	65%	0.651	S	S	*	*			trans	-70.4	83.4	170.6	-64.9	-179.7	0	0	0	107.2	N394 N398	N394-I396 PolarHBondContact O-N 3.11Å; I396-N398 HydrophobicContact CG2-CB 4.07Å; I396-N398 VanDerWaalsContact CG2-ND2 3.35Å; I396-N398 WeakPolarHBondContact CG2-ND2 3.35Å; I396-N398 VanDerWaalsContact CG2-OD1 3.23Å; I396-N398 WeakPolarHBondContact CG2-OD1 3.3Å; I396-N398 PolarHBondContact O-N 3.26Å
397	Q	25.6	Very low	27.8	Very low	159 Å²	159	125.4 Å²	125.4	74%	0.743	63%	0.63	S	S	*	*			trans	-80.2	64.6	178.2	-163.2	170.7	5.2	0	0	108.7	F395 S399	F395-Q397 PolarHBondContact O-N 2.84Å; Q397-S399 PolarHBondContact O-N 3.08Å
398	N	25.7	Very low	27.9	Very low	129 Å²	129	123.5 Å²	123.5	69%	0.69	62%	0.62	S	S	*	*			trans	-71	25.2	-175.6	-90.3	2.6	0	0	0	114.5	I396 I400	I396-N398 HydrophobicContact CG2-CB 4.07Å; I396-N398 VanDerWaalsContact CG2-ND2 3.35Å; I396-N398 WeakPolarHBondContact CG2-ND2 3.35Å; I396-N398 VanDerWaalsContact CG2-OD1 3.23Å; I396-N398 WeakPolarHBondContact CG2-OD1 3.3Å; I396-N398 PolarHBondContact O-N 3.26Å; N398-I400 VanDerWaalsContact C-N 3.33Å; N398-I400 PolarHBondContact O-N 2.88Å
399	S	25.8	Very low	28.2	Very low	91 Å²	91	126.8 Å²	126.8	64%	0.636	63%	0.628	S	S	*	*			trans	-85.6	77	162.5	53.3	0	0	0	0	108.9	Q397 S401	Q397-S399 PolarHBondContact O-N 3.08Å; S399-S401 PolarHBondContact O-N 2.94Å
400	I	28.7	Very low	28.4	Very low	103 Å²	103	124.1 Å²	124.1	53%	0.528	63%	0.625	S	S	.	*			trans	-61.3	116.9	164.6	-62.3	174.2	0	0	0	106.4	N398 L402 I405	N398-I400 VanDerWaalsContact C-N 3.33Å; N398-I400 PolarHBondContact O-N 2.88Å; I400-L402 PolarHBondContact O-N 3.1Å; I400-I405 HydrophobicContact CG2-CD1 3.97Å; I400-I405 HydrophobicContact CG2-CG1 4.34Å
401	S	26	Very low	28.5	Very low	47 Å²	47	119.2 Å²	119.2	33%	0.329	61%	0.607	S	S	.	*			trans	-67.2	135.9	173.8	92.7	0	0	0	0	108.2	S399 Q403 D404	S399-S401 PolarHBondContact O-N 2.94Å; S401-Q403 PolarHBondContact O-N 2.96Å; S401-Q403 PolarHBondContact OG-N 2.95Å; S401-D404 WeakPolarHBondContact CB-OD2 3.46Å; S401-D404 PolarHBondContact O-N 2.95Å; S401-D404 VanDerWaalsContact OG-CG 3.23Å; S401-D404 PolarHBondContact OG-N 2.87Å; S401-D404 PolarHBondContact OG-OD2 3.01Å
402	L	29.4	Very low	28.7	Very low	104 Å²	104	122.9 Å²	122.9	55%	0.545	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.2	-12.1	176.8	-90.3	155.4	0	0	0	112.7	I400 I421	I400-L402 PolarHBondContact O-N 3.1Å; L402-I421 HydrophobicContact CD2-CD1 4.38Å
403	Q	33.6	Very low	29.1	Very low	58 Å²	58	121.9 Å²	121.9	27%	0.271	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.5	-24.6	-179.3	-69.3	175.5	-7.8	0	0	113.8	E156 S401 I405	E156-Q403 VanDerWaalsContact CG-NE2 3.33Å; E156-Q403 PolarHBondContact OE1-NE2 3.11Å; S401-Q403 PolarHBondContact O-N 2.96Å; S401-Q403 PolarHBondContact OG-N 2.95Å; Q403-I405 PolarHBondContact O-N 3.05Å; Q403-I405 VanDerWaalsContact O-N 3.14Å
404	D	31.5	Very low	30	Very low	116 Å²	116	117.7 Å²	117.7	62%	0.62	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-10.5	176	-66.9	-57.9	0	0	0	112.8	S401	S401-D404 WeakPolarHBondContact CB-OD2 3.46Å; S401-D404 PolarHBondContact O-N 2.95Å; S401-D404 VanDerWaalsContact OG-CG 3.23Å; S401-D404 PolarHBondContact OG-N 2.87Å; S401-D404 PolarHBondContact OG-OD2 3.01Å
405	I	33.4	Very low	31.2	Very low	55 Å²	55	116.8 Å²	116.8	28%	0.282	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.7	-29.6	-174.6	-62.6	-179.6	0	0	0	112.2	I400 Q403 I419	I400-I405 HydrophobicContact CG2-CD1 3.97Å; I400-I405 HydrophobicContact CG2-CG1 4.34Å; Q403-I405 PolarHBondContact O-N 3.05Å; Q403-I405 VanDerWaalsContact O-N 3.14Å; I405-I419 HydrophobicContact CD1-CD1 3.75Å; I405-I419 HydrophobicContact CG1-CD1 4.49Å; I405-I419 HydrophobicContact CG2-CD1 3.38Å
406	T	31.9	Very low	33.1	Very low	96 Å²	96	114.3 Å²	114.3	59%	0.589	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-21.7	-167.3	48.8	0	0	0	0	114.5
407	N	33	Very low	35.2	Very low	64 Å²	64	112.3 Å²	112.3	34%	0.342	57%	0.571	S	S	.	*	S	Bend	trans	-104.2	-13.6	-160	-69.9	24.9	0	0	0	114.5	E163 K409	E163-N407 VanDerWaalsContact CD-ND2 3.34Å; E163-N407 PolarHBondContact OE1-ND2 2.85Å; E163-N407 PolarHBondContact OE2-ND2 2.73Å; N407-K409 PolarHBondContact O-N 3.47Å
408	N	30	Very low	37.4	Very low	115 Å²	115	105.1 Å²	105.1	62%	0.615	54%	0.537	S	S	*	.			trans	-85.1	102.2	172	-85.5	-26.8	0	0	0	111.4	Q410	N408-Q410 PolarHBondContact O-N 2.95Å
409	K	32	Very low	39.8	Very low	208 Å²	208	99.8 Å²	99.8	90%	0.904	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	28.8	167.3	-70.9	173.3	177	161.3	0	113.5	N407	N407-K409 PolarHBondContact O-N 3.47Å
410	Q	28.9	Very low	42.4	Very low	166 Å²	166	95.5 Å²	95.5	78%	0.776	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.8	20.7	-174.2	-78.2	-168.3	-43	0	0	114.7	N408 Y412	N408-Q410 PolarHBondContact O-N 2.95Å; Q410-Y412 PolarHBondContact O-N 2.79Å
411	D	30.3	Very low	44.8	Very low	80 Å²	80	90.8 Å²	90.8	43%	0.428	45%	0.454	S	S	.	.			trans	-94.6	75.7	169.7	-82.6	-52.3	0	0	0	113.2	L413 L414	D411-L413 PolarHBondContact O-N 3.14Å; D411-L414 HydrophobicContact CB-CD1 4.26Å
412	Y	29.8	Very low	47.5	Very low	217 Å²	217	88.5 Å²	88.5	85%	0.851	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	19.7	165.5	-87.7	-92.7	0	0	0	113.7	Q410	Q410-Y412 PolarHBondContact O-N 2.79Å
413	L	35.3	Very low	50	Low	139 Å²	139	87.6 Å²	87.6	73%	0.728	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	-3.7	-169.1	-75.5	166.8	0	0	0	114.6	D411	D411-L413 PolarHBondContact O-N 3.14Å
414	L	44.3	Very low	52.1	Low	68 Å²	68	85 Å²	85	36%	0.356	42%	0.417	S	S	.	.			trans	-92.2	0.6	178.3	-85.7	169.9	0	0	0	114.9	D411 D416 F417 L434	D411-L414 HydrophobicContact CB-CD1 4.26Å; L414-D416 PolarHBondContact O-N 3.1Å; L414-D416 VanDerWaalsContact O-N 3.07Å; L414-F417 HydrophobicContact CD2-CB 4.08Å; L414-F417 PolarHBondContact O-N 3.16Å; L414-F417 VanDerWaalsContact O-O 3.05Å; L414-L434 HydrophobicContact CD2-CD1 4.45Å
415	N	50.3	Low	53.8	Low	131 Å²	131	82.6 Å²	82.6	70%	0.701	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.8	-179.5	-82.7	-9.1	0	0	0	113.7	N437	N415-N437 WeakPolarHBondContact O-CB 3.26Å; N415-N437 PolarHBondContact O-ND2 2.99Å
416	D	64.5	Low	54.9	Low	120 Å²	120	83.8 Å²	83.8	64%	0.642	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.5	-176.8	-60.1	-28.6	0	0	0	113.3	L414 E436 N437	L414-D416 PolarHBondContact O-N 3.1Å; L414-D416 VanDerWaalsContact O-N 3.07Å; D416-E436 CarbonylContact O-C 3.55Å; D416-E436 WeakPolarHBondContact O-CA 3.38Å; D416-N437 PolarHBondContact O-N 2.83Å
417	F	68.8	Low	56.3	Low	93 Å²	93	81.2 Å²	81.2	41%	0.408	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.4	-177.1	-60.3	-81.2	0	0	0	114.3	L414 L434 C435	L414-F417 HydrophobicContact CD2-CB 4.08Å; L414-F417 PolarHBondContact O-N 3.16Å; L414-F417 VanDerWaalsContact O-O 3.05Å; F417-L434 HydrophobicContact CB-CD1 3.82Å; F417-L434 HydrophobicContact CB-CD2 4.42Å; F417-L434 HydrophobicContact CB-CG 4.07Å; F417-L434 HydrophobicContact CD1-CD2 4.14Å; F417-L434 HydrophobicContact CD1-CG 4.05Å; F417-L434 HydrophobicContact CG-CD1 4.47Å; F417-L434 HydrophobicContact CG-CD2 4.21Å; F417-L434 HydrophobicContact CG-CG 4.23Å; F417-C435 CarbonylContact C-O 3.6Å; F417-C435 WeakPolarHBondContact CA-O 3.37Å; F417-C435 WeakPolarHBondContact CB-O 3.42Å; F417-C435 WeakPolarHBondContact CD1-O 3.34Å
418	I	73.5	Confident	57.3	Low	7 Å²	7	83.8 Å²	83.8	4%	0.036	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.7	172.7	-171.8	164.6	0	0	0	108.7	C435 E436 R502 G505 I507	I418-C435 HydrophobicContact CG2-CB 3.8Å; I418-C435 PolarHBondContact N-O 3.12Å; I418-C435 WeakPolarHBondContact O-CA 3.35Å; I418-C435 WeakPolarHBondContact O-CB 3.32Å; I418-C435 PolarHBondContact O-N 3.02Å; I418-C435 VanDerWaalsContact O-O 3.1Å; I418-E436 VanDerWaalsContact CG2-O 3.32Å; I418-E436 WeakPolarHBondContact CG2-O 3.44Å; I418-R502 HydrophobicContact CD1-CG 4.08Å; I418-G505 WeakPolarHBondContact CD1-O 3.29Å; I418-G505 WeakPolarHBondContact CG1-O 3.09Å; I418-I507 HydrophobicContact CD1-CD1 4.24Å; I418-I507 HydrophobicContact CD1-CG1 3.92Å; I418-I507 HydrophobicContact CG1-CG1 4.48Å; I418-I507 HydrophobicContact CG2-CD1 4.24Å
419	I	74.4	Confident	58.8	Low	18 Å²	18	83.7 Å²	83.7	9%	0.092	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	131	176.7	-61.7	145.8	0	0	0	109.4	I405 I421 V432 L434 L506 I507	I405-I419 HydrophobicContact CD1-CD1 3.75Å; I405-I419 HydrophobicContact CG1-CD1 4.49Å; I405-I419 HydrophobicContact CG2-CD1 3.38Å; I419-I421 HydrophobicContact CG2-CG1 4.28Å; I419-V432 HydrophobicContact CG2-CG1 3.7Å; I419-L434 HydrophobicContact CG1-CD1 3.76Å; I419-L506 HydrophobicContact CB-CD2 4.08Å; I419-L506 HydrophobicContact CD1-CD2 4.49Å; I419-I507 PolarHBondContact O-N 3.16Å
420	S	80.8	Confident	60.9	Low	0 Å²	0	76.1 Å²	76.1	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.7	174.6	-177.8	0	0	0	0	109.3	V422 I433 I507	S420-V422 WeakPolarHBondContact OG-CG2 3.47Å; S420-I433 PolarHBondContact N-O 3.22Å; S420-I433 PolarHBondContact O-N 2.7Å; S420-I507 CarbonylContact C-O 3.53Å; S420-I507 WeakPolarHBondContact CA-O 3.5Å
421	I	80.1	Confident	63	Low	4 Å²	4	69.2 Å²	69.2	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.1	174.2	-60.1	172.8	0	0	0	107	L402 I419 Y423 P430 L506 I507 W508 A509	L402-I421 HydrophobicContact CD2-CD1 4.38Å; I419-I421 HydrophobicContact CG2-CG1 4.28Å; I421-Y423 HydrophobicContact CG2-CE2 3.82Å; I421-P430 HydrophobicContact CG2-CB 3.87Å; I421-L506 HydrophobicContact CD1-CD1 4.04Å; I421-I507 PolarHBondContact N-O 2.73Å; I421-W508 HydrophobicContact CB-CD2 4.42Å; I421-W508 HydrophobicContact CB-CE3 4.41Å; I421-W508 HydrophobicContact CD1-CD2 4.32Å; I421-W508 HydrophobicContact CD1-CH2 3.85Å; I421-W508 HydrophobicContact CD1-CZ2 3.58Å; I421-W508 HydrophobicContact CD1-CZ3 4.34Å; I421-W508 HydrophobicContact CG2-CE3 4.2Å; I421-W508 HydrophobicContact CG2-CZ3 4.17Å; I421-W508 WeakPolarHBondContact O-CA 3.35Å; I421-A509 PolarHBondContact O-N 3.35Å
422	V	82.9	Confident	65.1	Low	0 Å²	0	68 Å²	68	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.5	-170.9	-166.8	0	0	0	0	111.3	S420 V424 P430 H431 I433 F445 V449 L453 A509 I511	S420-V422 WeakPolarHBondContact OG-CG2 3.47Å; V422-V424 HydrophobicContact CG1-CG2 4.5Å; V422-P430 CarbonylContact O-C 3.57Å; V422-P430 WeakPolarHBondContact O-CA 3.47Å; V422-H431 HydrophobicContact CB-CB 4.48Å; V422-H431 PolarHBondContact N-O 2.86Å; V422-H431 PolarHBondContact O-N 3.24Å; V422-I433 HydrophobicContact CG2-CD1 4.36Å; V422-F445 HydrophobicContact CG1-CZ 4.37Å; V422-F445 HydrophobicContact CG2-CE2 4.5Å; V422-F445 HydrophobicContact CG2-CZ 4.12Å; V422-V449 HydrophobicContact CG2-CG1 3.8Å; V422-L453 HydrophobicContact CB-CD2 4.38Å; V422-L453 HydrophobicContact CG1-CD1 4.03Å; V422-L453 HydrophobicContact CG1-CD2 4.42Å; V422-A509 CarbonylContact C-O 3.59Å; V422-A509 WeakPolarHBondContact CA-O 3.43Å; V422-A509 HydrophobicContact CG1-CB 4.16Å; V422-A509 HydrophobicContact CG2-CB 4.38Å; V422-I511 HydrophobicContact CG1-CD1 3.64Å; V422-I511 HydrophobicContact CG1-CG1 3.98Å
423	Y	80.4	Confident	67.3	Low	84 Å²	84	57.9 Å²	57.9	33%	0.329	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.2	170.1	-61.7	-93.3	0	0	0	108.7	I421 P430 W508 A509 K510 I511	I421-Y423 HydrophobicContact CG2-CE2 3.82Å; Y423-P430 HydrophobicContact CD1-CB 3.91Å; Y423-P430 HydrophobicContact CD2-CB 4.45Å; Y423-P430 HydrophobicContact CE1-CB 3.64Å; Y423-P430 HydrophobicContact CE1-CG 3.91Å; Y423-P430 HydrophobicContact CE2-CB 4.19Å; Y423-P430 HydrophobicContact CG-CB 4.31Å; Y423-W508 AromaticContact CE2-CE3 3.97Å; Y423-W508 HydrophobicContact CE2-CE3 3.97Å; Y423-W508 HydrophobicContact CE2-CZ3 4.01Å; Y423-A509 PolarHBondContact N-O 2.88Å; Y423-K510 CarbonylContact O-C 3.5Å; Y423-K510 WeakPolarHBondContact O-CA 3.25Å; Y423-I511 PolarHBondContact O-N 3.37Å
424	V	77.4	Confident	69.1	Low	5 Å²	5	55.1 Å²	55.1	3%	0.03	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.3	172.6	-178.1	0	0	0	0	107.1	V422 E426 D427 L453 L460 F468 I511 I513	V422-V424 HydrophobicContact CG1-CG2 4.5Å; V424-E426 PolarHBondContact O-N 2.92Å; V424-D427 HydrophobicContact CB-CB 4.29Å; V424-D427 PolarHBondContact O-N 3.47Å; V424-L453 HydrophobicContact CG2-CD1 4.07Å; V424-L453 HydrophobicContact CG2-CD2 4.31Å; V424-L460 HydrophobicContact CG1-CD2 4.47Å; V424-F468 HydrophobicContact CG1-CZ 4.37Å; V424-I511 HydrophobicContact CG2-CD1 4.49Å; V424-I513 HydrophobicContact CG1-CD1 3.72Å
425	S	68.4	Low	70.6	Confident	64 Å²	64	52.1 Å²	52.1	45%	0.448	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.4	-169.9	51.3	0	0	0	0	115.5	I511 I513	S425-I511 PolarHBondContact N-O 3.49Å; S425-I513 WeakPolarHBondContact OG-CD1 3.39Å; S425-I513 PolarHBondContact OG-N 3.34Å; S425-I513 VanDerWaalsContact OG-N 3.1Å
426	E	56.9	Low	71.9	Confident	80 Å²	80	50.3 Å²	50.3	37%	0.374	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-16.9	175.4	-66.4	165.3	172.8	0	0	113.3	V424 L460 I464 I513 H515	V424-E426 PolarHBondContact O-N 2.92Å; E426-L460 VanDerWaalsContact OE2-CD2 3.3Å; E426-L460 WeakPolarHBondContact OE2-CD2 3.43Å; E426-I464 VanDerWaalsContact OE2-CD1 3.24Å; E426-I464 WeakPolarHBondContact OE2-CD1 3.32Å; E426-I513 HydrophobicContact CG-CD1 3.86Å; E426-H515 IonicContact OE1-CE1 3.61Å; E426-H515 PolarHBondContact OE1-CE1 3.21Å; E426-H515 VanDerWaalsContact OE1-CE1 3.31Å; E426-H515 IonicContact OE1-NE2 3.61Å
427	D	59.8	Low	72.7	Confident	43 Å²	43	47.6 Å²	47.6	23%	0.23	26%	0.256	C	S	.	.			trans	-101.1	132.5	-172.6	-78.4	-39.5	0	0	0	112.4	V424 L429 H431 N457	V424-D427 HydrophobicContact CB-CB 4.29Å; V424-D427 PolarHBondContact O-N 3.47Å; D427-L429 VanDerWaalsContact C-N 3.29Å; D427-L429 PolarHBondContact O-N 3.27Å; D427-H431 IonicContact OD2-CD2 3.74Å; D427-H431 IonicContact OD2-CE1 2.62Å; D427-H431 IonicContact OD2-NE2 2.72Å; D427-H431 PolarHBondContact OD2-NE2 3.3Å; D427-N457 PolarHBondContact OD1-ND2 2.75Å; D427-N457 PolarHBondContact OD2-ND2 3.09Å
428	S	54.9	Low	73.5	Confident	117 Å²	117	46.1 Å²	46.1	82%	0.818	25%	0.252	S	S	*	.	S	Bend	trans	-76.4	-12.8	178.3	57.1	0	0	0	0	114.4
429	L	61.4	Low	74.1	Confident	113 Å²	113	50.5 Å²	50.5	59%	0.592	27%	0.272	S	S	*	.	S	Bend	trans	-127.6	141.6	-178.3	-67.3	174.9	0	0	0	110.8	D427	D427-L429 VanDerWaalsContact C-N 3.29Å; D427-L429 PolarHBondContact O-N 3.27Å
430	P	76.5	Confident	74.8	Confident	49 Å²	49	49.8 Å²	49.8	32%	0.318	27%	0.268	S	S	.	.			trans	-71	139.1	173.2	28.4	-32.4	0	0	0	111.5	I421 V422 Y423	I421-P430 HydrophobicContact CG2-CB 3.87Å; V422-P430 CarbonylContact O-C 3.57Å; V422-P430 WeakPolarHBondContact O-CA 3.47Å; Y423-P430 HydrophobicContact CD1-CB 3.91Å; Y423-P430 HydrophobicContact CD2-CB 4.45Å; Y423-P430 HydrophobicContact CE1-CB 3.64Å; Y423-P430 HydrophobicContact CE1-CG 3.91Å; Y423-P430 HydrophobicContact CE2-CB 4.19Å; Y423-P430 HydrophobicContact CG-CB 4.31Å
431	H	72.5	Confident	75.4	Confident	22 Å²	22	51.2 Å²	51.2	10%	0.102	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123.7	170.1	-61.5	-83.9	0	0	0	109.9	V422 D427 I433 L453	V422-H431 HydrophobicContact CB-CB 4.48Å; V422-H431 PolarHBondContact N-O 2.86Å; V422-H431 PolarHBondContact O-N 3.24Å; D427-H431 IonicContact OD2-CD2 3.74Å; D427-H431 IonicContact OD2-CE1 2.62Å; D427-H431 IonicContact OD2-NE2 2.72Å; D427-H431 PolarHBondContact OD2-NE2 3.3Å; H431-I433 HydrophobicContact CB-CD1 4.33Å; H431-I433 HydrophobicContact CB-CG1 4.45Å; H431-L453 HydrophobicContact CB-CD2 3.46Å; H431-L453 VanDerWaalsContact CB-CD2 3.46Å; H431-L453 VanDerWaalsContact CD2-CD2 3.43Å; H431-L453 WeakPolarHBondContact CD2-CD2 3.42Å
432	V	75.3	Confident	75.9	Confident	53 Å²	53	51 Å²	51	32%	0.321	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.9	175.1	-177.3	0	0	0	0	108.7	I419	I419-V432 HydrophobicContact CG2-CG1 3.7Å
433	I	74.7	Confident	76.1	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.7	-172.9	-66.3	172.1	0	0	0	109.5	S420 V422 H431 V449 K452 L453 I456	S420-I433 PolarHBondContact N-O 3.22Å; S420-I433 PolarHBondContact O-N 2.7Å; V422-I433 HydrophobicContact CG2-CD1 4.36Å; H431-I433 HydrophobicContact CB-CD1 4.33Å; H431-I433 HydrophobicContact CB-CG1 4.45Å; I433-V449 HydrophobicContact CD1-CG1 3.74Å; I433-K452 HydrophobicContact CD1-CB 4.11Å; I433-K452 HydrophobicContact CG2-CB 4.36Å; I433-K452 HydrophobicContact CG2-CD 3.48Å; I433-K452 VanDerWaalsContact CG2-CD 3.48Å; I433-L453 HydrophobicContact CD1-CD2 3.78Å; I433-L453 HydrophobicContact CD1-CG 3.98Å; I433-I456 HydrophobicContact CD1-CD1 4.33Å; I433-I456 HydrophobicContact CG1-CD1 4.06Å
434	L	74.4	Confident	76.5	Confident	82 Å²	82	52.9 Å²	52.9	43%	0.429	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.1	170.2	-165	68.4	0	0	0	110	L414 F417 I419 K452	L414-L434 HydrophobicContact CD2-CD1 4.45Å; F417-L434 HydrophobicContact CB-CD1 3.82Å; F417-L434 HydrophobicContact CB-CD2 4.42Å; F417-L434 HydrophobicContact CB-CG 4.07Å; F417-L434 HydrophobicContact CD1-CD2 4.14Å; F417-L434 HydrophobicContact CD1-CG 4.05Å; F417-L434 HydrophobicContact CG-CD1 4.47Å; F417-L434 HydrophobicContact CG-CD2 4.21Å; F417-L434 HydrophobicContact CG-CG 4.23Å; I419-L434 HydrophobicContact CG1-CD1 3.76Å; L434-K452 PolarHBondContact O-NZ 3.41Å
435	C	74.3	Confident	77	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.034	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	159.1	-173.4	-83.6	0	0	0	0	110.1	F417 I418 W440	F417-C435 CarbonylContact C-O 3.6Å; F417-C435 WeakPolarHBondContact CA-O 3.37Å; F417-C435 WeakPolarHBondContact CB-O 3.42Å; F417-C435 WeakPolarHBondContact CD1-O 3.34Å; I418-C435 HydrophobicContact CG2-CB 3.8Å; I418-C435 PolarHBondContact N-O 3.12Å; I418-C435 WeakPolarHBondContact O-CA 3.35Å; I418-C435 WeakPolarHBondContact O-CB 3.32Å; I418-C435 PolarHBondContact O-N 3.02Å; I418-C435 VanDerWaalsContact O-O 3.1Å; C435-W440 HydrophobicContact CB-CH2 4.16Å; C435-W440 HydrophobicContact CB-CZ2 3.51Å
436	E	78.8	Confident	77.8	Confident	93 Å²	93	52.5 Å²	52.5	44%	0.435	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	142.7	173.2	-65.9	159	166.6	0	0	110.7	D416 I418 I438 W440 K448	D416-E436 CarbonylContact O-C 3.55Å; D416-E436 WeakPolarHBondContact O-CA 3.38Å; I418-E436 VanDerWaalsContact CG2-O 3.32Å; I418-E436 WeakPolarHBondContact CG2-O 3.44Å; E436-I438 HydrophobicContact CB-CG1 4.45Å; E436-I438 HydrophobicContact CB-CG2 4.24Å; E436-I438 PolarHBondContact O-N 2.83Å; E436-W440 PolarHBondContact O-NE1 2.84Å; E436-K448 IonicContact OE2-NZ 3.82Å; E436-K448 PolarHBondContact OE2-NZ 2.94Å
437	N	81.1	Confident	78.9	Confident	63 Å²	63	55.5 Å²	55.5	34%	0.337	29%	0.287	S	S	.	.	S	Bend	trans	-78.6	57	179.8	-170.4	12.6	0	0	0	112.5	N415 D416 R502	N415-N437 WeakPolarHBondContact O-CB 3.26Å; N415-N437 PolarHBondContact O-ND2 2.99Å; D416-N437 PolarHBondContact O-N 2.83Å; N437-R502 VanDerWaalsContact OD1-CZ 3.29Å; N437-R502 PolarHBondContact OD1-NH1 2.91Å; N437-R502 PolarHBondContact OD1-NH2 2.59Å
438	I	84.4	Confident	79.9	Confident	62 Å²	62	57 Å²	57	32%	0.318	29%	0.291	S	S	.	.	S	Bend	trans	-101.6	171.1	176.3	60.8	173.5	0	0	0	111.1	E436 W440 L444 R502	E436-I438 HydrophobicContact CB-CG1 4.45Å; E436-I438 HydrophobicContact CB-CG2 4.24Å; E436-I438 PolarHBondContact O-N 2.83Å; I438-W440 HydrophobicContact CD1-CZ2 4.49Å; I438-W440 HydrophobicContact CG1-CD2 4.43Å; I438-W440 HydrophobicContact CG1-CG 4.41Å; I438-W440 HydrophobicContact CG1-CZ2 4.37Å; I438-W440 PolarHBondContact O-N 3.06Å; I438-L444 HydrophobicContact CD1-CD1 4.23Å; I438-R502 PolarHBondContact O-NH2 2.72Å
439	Q	86.4	Confident	81	Confident	98 Å²	98	51.4 Å²	51.4	46%	0.458	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-72.3	120.6	164.1	-162.2	63.7	-2.6	0	0	108.3	E499	Q439-E499 HydrophobicContact CG-CG 4.19Å; Q439-E499 PolarHBondContact NE2-OE2 2.9Å
440	W	90	Very high	81.6	Confident	3 Å²	3	46.8 Å²	46.8	1%	0.011	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-96	128.4	-175.6	-78.2	83.6	0	0	0	109.7	C435 E436 I438 L444 F445 K448 V449 E499 I500 I507	C435-W440 HydrophobicContact CB-CH2 4.16Å; C435-W440 HydrophobicContact CB-CZ2 3.51Å; E436-W440 PolarHBondContact O-NE1 2.84Å; I438-W440 HydrophobicContact CD1-CZ2 4.49Å; I438-W440 HydrophobicContact CG1-CD2 4.43Å; I438-W440 HydrophobicContact CG1-CG 4.41Å; I438-W440 HydrophobicContact CG1-CZ2 4.37Å; I438-W440 PolarHBondContact O-N 3.06Å; W440-L444 HydrophobicContact CE3-CB 3.99Å; W440-L444 HydrophobicContact CZ3-CB 4.27Å; W440-F445 HydrophobicContact CE3-CB 4.22Å; W440-K448 HydrophobicContact CH2-CB 3.83Å; W440-K448 HydrophobicContact CH2-CD 3.55Å; W440-K448 HydrophobicContact CH2-CG 4.29Å; W440-K448 HydrophobicContact CZ2-CD 4.44Å; W440-K448 HydrophobicContact CZ3-CB 3.91Å; W440-K448 HydrophobicContact CZ3-CD 4.03Å; W440-K448 HydrophobicContact CZ3-CG 4.46Å; W440-V449 HydrophobicContact CH2-CG2 4.37Å; W440-V449 HydrophobicContact CZ3-CG2 4.03Å; W440-E499 WeakPolarHBondContact O-CA 3.21Å; W440-I500 HydrophobicContact CB-CB 4.24Å; W440-I500 HydrophobicContact CB-CD1 4.25Å; W440-I500 PolarHBondContact O-N 3.37Å; W440-I507 HydrophobicContact CB-CD1 4.22Å; W440-I507 HydrophobicContact CD2-CD1 4.29Å; W440-I507 HydrophobicContact CG-CD1 3.77Å
441	T	92.3	Very high	81.3	Confident	30 Å²	30	50.3 Å²	50.3	18%	0.184	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-98.2	163.3	164.6	62.4	0	0	0	0	110.3	E443 L444 F445 E498	T441-E443 VanDerWaalsContact C-N 3.26Å; T441-E443 PolarHBondContact O-N 2.88Å; T441-L444 PolarHBondContact O-N 2.99Å; T441-L444 PolarHBondContact OG1-N 2.73Å; T441-F445 PolarHBondContact O-N 3.41Å; T441-E498 VanDerWaalsContact CA-O 3.31Å; T441-E498 WeakPolarHBondContact CA-O 3.29Å
442	L	91.3	Very high	81.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-36.3	174.2	178.7	62.8	0	0	0	112.5	L444 F445 K446 F475 F477 I493 E498	L442-L444 PolarHBondContact O-N 3.01Å; L442-F445 PolarHBondContact O-N 3.31Å; L442-K446 HydrophobicContact CD1-CD 4.22Å; L442-K446 HydrophobicContact CD1-CG 4.07Å; L442-K446 HydrophobicContact CG-CD 3.98Å; L442-K446 HydrophobicContact CG-CG 4.31Å; L442-K446 WeakPolarHBondContact O-CB 3.34Å; L442-K446 WeakPolarHBondContact O-CG 3.45Å; L442-K446 PolarHBondContact O-N 3.46Å; L442-F475 HydrophobicContact CD1-CB 3.81Å; L442-F475 HydrophobicContact CD1-CD1 4.06Å; L442-F475 HydrophobicContact CD1-CD2 4.12Å; L442-F475 HydrophobicContact CD1-CG 3.73Å; L442-F477 HydrophobicContact CD1-CE2 4.01Å; L442-F477 HydrophobicContact CD1-CZ 4.01Å; L442-I493 HydrophobicContact CB-CG2 3.99Å; L442-I493 HydrophobicContact CD2-CB 4.41Å; L442-I493 HydrophobicContact CD2-CG2 3.88Å; L442-I493 WeakPolarHBondContact CD2-O 3.43Å; L442-I493 HydrophobicContact CG-CG2 4.46Å; L442-E498 PolarHBondContact N-O 2.75Å; L442-E498 VanDerWaalsContact N-O 3.16Å
443	E	87.2	Confident	81.1	Confident	72 Å²	72	51.3 Å²	51.3	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-58.2	-47.8	173.5	-169.8	-172.8	-177.5	0	0	112.1	T441 K446 R447 D496	T441-E443 VanDerWaalsContact C-N 3.26Å; T441-E443 PolarHBondContact O-N 2.88Å; E443-K446 PolarHBondContact O-N 2.6Å; E443-R447 WeakPolarHBondContact O-CG 3.48Å; E443-R447 PolarHBondContact O-N 3.1Å; E443-R447 IonicContact OE1-CZ 2.98Å; E443-R447 IonicContact OE1-NH1 2.7Å; E443-R447 PolarHBondContact OE1-NH1 2.74Å; E443-R447 IonicContact OE1-NH2 2.67Å; E443-R447 PolarHBondContact OE1-NH2 3.07Å; E443-D496 HydrophobicContact CB-CB 4.12Å; E443-D496 WeakPolarHBondContact CB-O 3.38Å; E443-D496 PolarHBondContact N-O 2.83Å
444	L	87.9	Confident	80.8	Confident	52 Å²	52	52.9 Å²	52.9	27%	0.272	25%	0.246	S	C	.	.	H	α-helix	trans	-66.4	-39.6	179.8	-73	174.5	0	0	0	111.7	I438 W440 T441 L442 R447 K448	I438-L444 HydrophobicContact CD1-CD1 4.23Å; W440-L444 HydrophobicContact CE3-CB 3.99Å; W440-L444 HydrophobicContact CZ3-CB 4.27Å; T441-L444 PolarHBondContact O-N 2.99Å; T441-L444 PolarHBondContact OG1-N 2.73Å; L442-L444 PolarHBondContact O-N 3.01Å; L444-R447 PolarHBondContact O-N 2.77Å; L444-K448 PolarHBondContact O-N 3.46Å
445	F	88.5	Confident	80.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-50.1	175.8	-175.6	-86.6	0	0	0	111.4	V422 W440 T441 L442 R447 K448 V449 F475 F477 I500 I507 A509 I511	V422-F445 HydrophobicContact CG1-CZ 4.37Å; V422-F445 HydrophobicContact CG2-CE2 4.5Å; V422-F445 HydrophobicContact CG2-CZ 4.12Å; W440-F445 HydrophobicContact CE3-CB 4.22Å; T441-F445 PolarHBondContact O-N 3.41Å; L442-F445 PolarHBondContact O-N 3.31Å; F445-R447 VanDerWaalsContact C-N 3.27Å; F445-R447 PolarHBondContact O-N 3.26Å; F445-K448 PolarHBondContact O-N 3.15Å; F445-V449 HydrophobicContact CD1-CB 4.34Å; F445-V449 HydrophobicContact CD2-CB 4.02Å; F445-V449 HydrophobicContact CD2-CG1 4.39Å; F445-V449 HydrophobicContact CD2-CG2 3.59Å; F445-V449 HydrophobicContact CE1-CB 4.27Å; F445-V449 HydrophobicContact CE1-CG1 4.24Å; F445-V449 HydrophobicContact CE2-CB 3.95Å; F445-V449 HydrophobicContact CE2-CG1 3.8Å; F445-V449 HydrophobicContact CE2-CG2 3.77Å; F445-V449 HydrophobicContact CG-CB 4.21Å; F445-V449 HydrophobicContact CG-CG2 4.09Å; F445-V449 HydrophobicContact CZ-CB 4.06Å; F445-V449 HydrophobicContact CZ-CG1 3.7Å; F445-V449 HydrophobicContact CZ-CG2 4.39Å; F445-V449 WeakPolarHBondContact O-CA 3.42Å; F445-V449 VanDerWaalsContact O-CB 3.27Å; F445-V449 WeakPolarHBondContact O-CB 3.42Å; F445-V449 PolarHBondContact O-N 2.98Å; F445-F475 HydrophobicContact CD1-CD1 4.31Å; F445-F475 HydrophobicContact CE1-CD1 4.13Å; F445-F475 HydrophobicContact CE1-CE1 4.37Å; F445-F477 HydrophobicContact CD1-CE1 4.27Å; F445-F477 AromaticContact CD1-CZ 3.99Å; F445-F477 HydrophobicContact CD1-CZ 3.99Å; F445-F477 HydrophobicContact CD2-CE1 4.03Å; F445-F477 HydrophobicContact CD2-CZ 4.45Å; F445-F477 HydrophobicContact CE1-CE1 4.16Å; F445-F477 HydrophobicContact CE1-CZ 4.12Å; F445-F477 AromaticContact CE2-CE1 3.91Å; F445-F477 HydrophobicContact CE2-CE1 3.91Å; F445-F477 HydrophobicContact CG-CE1 4.22Å; F445-F477 HydrophobicContact CG-CZ 4.18Å; F445-F477 AromaticContact CZ-CE1 3.99Å; F445-F477 HydrophobicContact CZ-CE1 3.99Å; F445-F477 HydrophobicContact CZ-CZ 4.42Å; F445-I500 HydrophobicContact CB-CD1 3.33Å; F445-I500 HydrophobicContact CD2-CD1 3.85Å; F445-I500 HydrophobicContact CG-CD1 3.7Å; F445-I507 HydrophobicContact CE2-CG2 4.1Å; F445-A509 HydrophobicContact CE1-CB 4.23Å; F445-A509 HydrophobicContact CE2-CB 3.95Å; F445-A509 HydrophobicContact CZ-CB 3.4Å; F445-A509 VanDerWaalsContact CZ-CB 3.4Å; F445-I511 HydrophobicContact CE1-CD1 4.25Å
446	K	85.8	Confident	79.9	Confident	61 Å²	61	57 Å²	57	27%	0.265	28%	0.275	S	S	.	.	H	α-helix	trans	-54.3	-42.4	175.3	-78.8	171.8	177.3	168.1	0	111.9	L442 E443 I450 F475 D496	L442-K446 HydrophobicContact CD1-CD 4.22Å; L442-K446 HydrophobicContact CD1-CG 4.07Å; L442-K446 HydrophobicContact CG-CD 3.98Å; L442-K446 HydrophobicContact CG-CG 4.31Å; L442-K446 WeakPolarHBondContact O-CB 3.34Å; L442-K446 WeakPolarHBondContact O-CG 3.45Å; L442-K446 PolarHBondContact O-N 3.46Å; E443-K446 PolarHBondContact O-N 2.6Å; K446-I450 HydrophobicContact CB-CD1 4.1Å; K446-I450 HydrophobicContact CG-CD1 4.06Å; K446-I450 VanDerWaalsContact O-CB 3.29Å; K446-I450 WeakPolarHBondContact O-CB 3.15Å; K446-I450 WeakPolarHBondContact O-CD1 3.15Å; K446-I450 VanDerWaalsContact O-CG1 3.3Å; K446-I450 WeakPolarHBondContact O-CG1 3.44Å; K446-F475 HydrophobicContact CD-CE2 4.34Å; K446-F475 HydrophobicContact CD-CZ 4.43Å; K446-F475 HydrophobicContact CG-CE1 4.18Å; K446-F475 HydrophobicContact CG-CE2 4.24Å; K446-F475 HydrophobicContact CG-CZ 3.86Å; K446-D496 VanDerWaalsContact CD-OD1 3.25Å; K446-D496 WeakPolarHBondContact CD-OD1 3.47Å; K446-D496 WeakPolarHBondContact CE-OD1 3.3Å; K446-D496 IonicContact NZ-OD1 2.68Å; K446-D496 PolarHBondContact NZ-OD1 2.89Å; K446-D496 IonicContact NZ-OD2 3.66Å
447	R	80.1	Confident	79.1	Confident	142 Å²	142	53.4 Å²	53.4	54%	0.536	26%	0.259	S	S	.	.	H	α-helix	trans	-68.5	-64.9	175.7	-73.4	-177	177.5	136.7	13.3	112.7	E443 L444 F445 Q451	E443-R447 WeakPolarHBondContact O-CG 3.48Å; E443-R447 PolarHBondContact O-N 3.1Å; E443-R447 IonicContact OE1-CZ 2.98Å; E443-R447 IonicContact OE1-NH1 2.7Å; E443-R447 PolarHBondContact OE1-NH1 2.74Å; E443-R447 IonicContact OE1-NH2 2.67Å; E443-R447 PolarHBondContact OE1-NH2 3.07Å; L444-R447 PolarHBondContact O-N 2.77Å; F445-R447 VanDerWaalsContact C-N 3.27Å; F445-R447 PolarHBondContact O-N 3.26Å; R447-Q451 VanDerWaalsContact O-CB 3.31Å; R447-Q451 WeakPolarHBondContact O-CB 3.48Å; R447-Q451 WeakPolarHBondContact O-CG 3.41Å; R447-Q451 PolarHBondContact O-N 3.48Å; R447-Q451 PolarHBondContact O-OE1 2.99Å
448	K	80.6	Confident	77.9	Confident	74 Å²	74	54.2 Å²	54.2	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-76.2	-39	-168.2	-70.8	-179.3	171.4	175.7	0	113.4	E436 W440 L444 F445 K452	E436-K448 IonicContact OE2-NZ 3.82Å; E436-K448 PolarHBondContact OE2-NZ 2.94Å; W440-K448 HydrophobicContact CH2-CB 3.83Å; W440-K448 HydrophobicContact CH2-CD 3.55Å; W440-K448 HydrophobicContact CH2-CG 4.29Å; W440-K448 HydrophobicContact CZ2-CD 4.44Å; W440-K448 HydrophobicContact CZ3-CB 3.91Å; W440-K448 HydrophobicContact CZ3-CD 4.03Å; W440-K448 HydrophobicContact CZ3-CG 4.46Å; L444-K448 PolarHBondContact O-N 3.46Å; F445-K448 PolarHBondContact O-N 3.15Å; K448-K452 WeakPolarHBondContact O-CG 3.46Å; K448-K452 PolarHBondContact O-N 2.88Å
449	V	77.6	Confident	76.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-83.1	-41.7	-171.9	-176.7	0	0	0	0	111	V422 I433 W440 F445 Q451 K452 L453	V422-V449 HydrophobicContact CG2-CG1 3.8Å; I433-V449 HydrophobicContact CD1-CG1 3.74Å; W440-V449 HydrophobicContact CH2-CG2 4.37Å; W440-V449 HydrophobicContact CZ3-CG2 4.03Å; F445-V449 HydrophobicContact CD1-CB 4.34Å; F445-V449 HydrophobicContact CD2-CB 4.02Å; F445-V449 HydrophobicContact CD2-CG1 4.39Å; F445-V449 HydrophobicContact CD2-CG2 3.59Å; F445-V449 HydrophobicContact CE1-CB 4.27Å; F445-V449 HydrophobicContact CE1-CG1 4.24Å; F445-V449 HydrophobicContact CE2-CB 3.95Å; F445-V449 HydrophobicContact CE2-CG1 3.8Å; F445-V449 HydrophobicContact CE2-CG2 3.77Å; F445-V449 HydrophobicContact CG-CB 4.21Å; F445-V449 HydrophobicContact CG-CG2 4.09Å; F445-V449 HydrophobicContact CZ-CB 4.06Å; F445-V449 HydrophobicContact CZ-CG1 3.7Å; F445-V449 HydrophobicContact CZ-CG2 4.39Å; F445-V449 WeakPolarHBondContact O-CA 3.42Å; F445-V449 VanDerWaalsContact O-CB 3.27Å; F445-V449 WeakPolarHBondContact O-CB 3.42Å; F445-V449 PolarHBondContact O-N 2.98Å; V449-Q451 PolarHBondContact O-N 2.85Å; V449-K452 PolarHBondContact O-N 2.78Å; V449-K452 VanDerWaalsContact O-N 3.15Å; V449-L453 WeakPolarHBondContact O-CG 3.32Å; V449-L453 PolarHBondContact O-N 2.82Å
450	I	73.4	Confident	75	Confident	16 Å²	16	53.7 Å²	53.7	8%	0.082	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-38.4	177.3	-47.7	179.1	0	0	0	111.2	K446 K452 L453 Y454 F475	K446-I450 HydrophobicContact CB-CD1 4.1Å; K446-I450 HydrophobicContact CG-CD1 4.06Å; K446-I450 VanDerWaalsContact O-CB 3.29Å; K446-I450 WeakPolarHBondContact O-CB 3.15Å; K446-I450 WeakPolarHBondContact O-CD1 3.15Å; K446-I450 VanDerWaalsContact O-CG1 3.3Å; K446-I450 WeakPolarHBondContact O-CG1 3.44Å; I450-K452 VanDerWaalsContact C-N 3.27Å; I450-K452 PolarHBondContact O-N 2.79Å; I450-L453 WeakPolarHBondContact O-CB 3.31Å; I450-L453 PolarHBondContact O-N 2.93Å; I450-L453 VanDerWaalsContact O-N 3.14Å; I450-Y454 HydrophobicContact CG2-CD2 3.97Å; I450-Y454 HydrophobicContact CG2-CE1 4.4Å; I450-Y454 HydrophobicContact CG2-CE2 3.49Å; I450-Y454 VanDerWaalsContact CG2-CE2 3.49Å; I450-Y454 WeakPolarHBondContact O-CD2 3.36Å; I450-Y454 PolarHBondContact O-N 2.85Å; I450-F475 HydrophobicContact CD1-CE1 3.85Å; I450-F475 HydrophobicContact CD1-CZ 3.78Å
451	Q	70.8	Confident	73.3	Confident	124 Å²	124	56.8 Å²	56.8	58%	0.579	28%	0.276	S	S	*	.	H	α-helix	trans	-57.2	-39.8	171.3	-76.3	174.4	-7.2	0	0	112.5	R447 V449 S455	R447-Q451 VanDerWaalsContact O-CB 3.31Å; R447-Q451 WeakPolarHBondContact O-CB 3.48Å; R447-Q451 WeakPolarHBondContact O-CG 3.41Å; R447-Q451 PolarHBondContact O-N 3.48Å; R447-Q451 PolarHBondContact O-OE1 2.99Å; V449-Q451 PolarHBondContact O-N 2.85Å; Q451-S455 PolarHBondContact O-N 3.15Å; Q451-S455 VanDerWaalsContact O-N 3.1Å; Q451-S455 PolarHBondContact O-OG 3.37Å
452	K	72.4	Confident	71.1	Confident	91 Å²	91	61.3 Å²	61.3	40%	0.396	30%	0.299	S	S	.	.	H	α-helix	trans	-68.8	-41.2	173.2	-73.7	-175.1	-178.1	-169.1	0	112.6	I433 L434 K448 V449 I450 Y454 S455 I456	I433-K452 HydrophobicContact CD1-CB 4.11Å; I433-K452 HydrophobicContact CG2-CB 4.36Å; I433-K452 HydrophobicContact CG2-CD 3.48Å; I433-K452 VanDerWaalsContact CG2-CD 3.48Å; L434-K452 PolarHBondContact O-NZ 3.41Å; K448-K452 WeakPolarHBondContact O-CG 3.46Å; K448-K452 PolarHBondContact O-N 2.88Å; V449-K452 PolarHBondContact O-N 2.78Å; V449-K452 VanDerWaalsContact O-N 3.15Å; I450-K452 VanDerWaalsContact C-N 3.27Å; I450-K452 PolarHBondContact O-N 2.79Å; K452-Y454 PolarHBondContact O-N 3.14Å; K452-S455 WeakPolarHBondContact O-CA 3.24Å; K452-S455 WeakPolarHBondContact O-CB 3.3Å; K452-S455 PolarHBondContact O-N 3.05Å; K452-I456 WeakPolarHBondContact O-CD1 3.45Å; K452-I456 VanDerWaalsContact O-CG1 3.26Å; K452-I456 WeakPolarHBondContact O-CG1 3.46Å; K452-I456 PolarHBondContact O-N 3.05Å
453	L	72	Confident	69	Low	4 Å²	4	68.4 Å²	68.4	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-48.9	174.7	-70.2	171.2	0	0	0	111.6	V422 V424 H431 I433 V449 I450 S455 I456 N457 L460 I511	V422-L453 HydrophobicContact CB-CD2 4.38Å; V422-L453 HydrophobicContact CG1-CD1 4.03Å; V422-L453 HydrophobicContact CG1-CD2 4.42Å; V424-L453 HydrophobicContact CG2-CD1 4.07Å; V424-L453 HydrophobicContact CG2-CD2 4.31Å; H431-L453 HydrophobicContact CB-CD2 3.46Å; H431-L453 VanDerWaalsContact CB-CD2 3.46Å; H431-L453 VanDerWaalsContact CD2-CD2 3.43Å; H431-L453 WeakPolarHBondContact CD2-CD2 3.42Å; I433-L453 HydrophobicContact CD1-CD2 3.78Å; I433-L453 HydrophobicContact CD1-CG 3.98Å; V449-L453 WeakPolarHBondContact O-CG 3.32Å; V449-L453 PolarHBondContact O-N 2.82Å; I450-L453 WeakPolarHBondContact O-CB 3.31Å; I450-L453 PolarHBondContact O-N 2.93Å; I450-L453 VanDerWaalsContact O-N 3.14Å; L453-S455 PolarHBondContact O-N 2.92Å; L453-I456 PolarHBondContact O-N 3.49Å; L453-I456 VanDerWaalsContact O-N 3.09Å; L453-N457 PolarHBondContact O-N 3.49Å; L453-L460 HydrophobicContact CB-CD1 4.47Å; L453-I511 HydrophobicContact CD1-CD1 3.66Å
454	Y	67.4	Low	67	Low	38 Å²	38	65.2 Å²	65.2	15%	0.149	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-36.1	174	-65.2	-51	0	0	0	112	I450 K452 I456 L460 Q461 F468 K473	I450-Y454 HydrophobicContact CG2-CD2 3.97Å; I450-Y454 HydrophobicContact CG2-CE1 4.4Å; I450-Y454 HydrophobicContact CG2-CE2 3.49Å; I450-Y454 VanDerWaalsContact CG2-CE2 3.49Å; I450-Y454 WeakPolarHBondContact O-CD2 3.36Å; I450-Y454 PolarHBondContact O-N 2.85Å; K452-Y454 PolarHBondContact O-N 3.14Å; Y454-I456 VanDerWaalsContact C-N 3.3Å; Y454-I456 PolarHBondContact O-N 2.87Å; Y454-L460 HydrophobicContact CD1-CB 4.18Å; Y454-Q461 VanDerWaalsContact O-CG 3.32Å; Y454-Q461 WeakPolarHBondContact O-CG 3.4Å; Y454-Q461 PolarHBondContact O-NE2 3.34Å; Y454-F468 AromaticContact CE1-CD1 3.61Å; Y454-F468 HydrophobicContact CE1-CD1 3.61Å; Y454-F468 HydrophobicContact CE1-CE1 4.14Å; Y454-F468 HydrophobicContact CE1-CG 4.48Å; Y454-F468 AromaticContact CZ-CD1 3.91Å; Y454-F468 WeakPolarHBondContact OH-CD1 3.41Å; Y454-K473 PolarHBondContact OH-NZ 3.27Å
455	S	66.4	Low	64.9	Low	96 Å²	96	69.7 Å²	69.7	67%	0.671	33%	0.332	S	S	*	.	H	α-helix	trans	-70.6	-25	178	-55.6	0	0	0	0	113.4	Q451 K452 L453	Q451-S455 PolarHBondContact O-N 3.15Å; Q451-S455 VanDerWaalsContact O-N 3.1Å; Q451-S455 PolarHBondContact O-OG 3.37Å; K452-S455 WeakPolarHBondContact O-CA 3.24Å; K452-S455 WeakPolarHBondContact O-CB 3.3Å; K452-S455 PolarHBondContact O-N 3.05Å; L453-S455 PolarHBondContact O-N 2.92Å
456	I	63.4	Low	62.6	Low	79 Å²	79	75.8 Å²	75.8	41%	0.405	36%	0.364	S	S	.	.	H	α-helix	trans	-91.4	-41.8	-177.2	-68.2	162.4	0	0	0	111.3	I433 K452 L453 Y454 P458	I433-I456 HydrophobicContact CD1-CD1 4.33Å; I433-I456 HydrophobicContact CG1-CD1 4.06Å; K452-I456 WeakPolarHBondContact O-CD1 3.45Å; K452-I456 VanDerWaalsContact O-CG1 3.26Å; K452-I456 WeakPolarHBondContact O-CG1 3.46Å; K452-I456 PolarHBondContact O-N 3.05Å; L453-I456 PolarHBondContact O-N 3.49Å; L453-I456 VanDerWaalsContact O-N 3.09Å; Y454-I456 VanDerWaalsContact C-N 3.3Å; Y454-I456 PolarHBondContact O-N 2.87Å; I456-P458 WeakPolarHBondContact O-CD 3.47Å
457	N	61.7	Low	60.7	Low	17 Å²	17	78.6 Å²	78.6	9%	0.091	38%	0.378	C	S	.	.			trans	-110.7	99	-174.5	-167	-12	0	0	0	111.5	D427 L453 K459 L460 Q461	D427-N457 PolarHBondContact OD1-ND2 2.75Å; D427-N457 PolarHBondContact OD2-ND2 3.09Å; L453-N457 PolarHBondContact O-N 3.49Å; N457-K459 PolarHBondContact O-N 2.77Å; N457-K459 WeakPolarHBondContact OD1-CB 3.36Å; N457-K459 PolarHBondContact OD1-N 3.1Å; N457-K459 VanDerWaalsContact OD1-N 3.1Å; N457-L460 HydrophobicContact CB-CB 4.27Å; N457-L460 HydrophobicContact CB-CD1 3.85Å; N457-L460 HydrophobicContact CB-CG 3.86Å; N457-L460 WeakPolarHBondContact O-CB 3.43Å; N457-L460 PolarHBondContact O-N 2.82Å; N457-L460 VanDerWaalsContact O-N 3.14Å; N457-Q461 PolarHBondContact O-N 2.75Å
458	P	55.6	Low	59.2	Low	79 Å²	79	72.2 Å²	72.2	51%	0.513	35%	0.354	S	S	.	.	H	α-helix	trans	-66.8	-15.3	178.1	26.4	-33.8	0	0	0	113.7	I456 Q461 N462	I456-P458 WeakPolarHBondContact O-CD 3.47Å; P458-Q461 WeakPolarHBondContact O-CB 3.31Å; P458-Q461 PolarHBondContact O-N 3.09Å; P458-N462 PolarHBondContact O-N 2.83Å
459	K	55.6	Low	57.8	Low	146 Å²	146	74.6 Å²	74.6	64%	0.635	37%	0.367	S	S	*	.	H	α-helix	trans	-67.2	-43.2	170.3	-61.4	-173.1	174.3	-171.5	0	111.2	N457 Q461 N462 E463	N457-K459 PolarHBondContact O-N 2.77Å; N457-K459 WeakPolarHBondContact OD1-CB 3.36Å; N457-K459 PolarHBondContact OD1-N 3.1Å; N457-K459 VanDerWaalsContact OD1-N 3.1Å; K459-Q461 PolarHBondContact O-N 2.82Å; K459-Q461 VanDerWaalsContact O-N 3.16Å; K459-N462 PolarHBondContact O-N 2.88Å; K459-N462 VanDerWaalsContact O-N 3.12Å; K459-E463 PolarHBondContact O-N 3.12Å; K459-E463 VanDerWaalsContact O-N 3.16Å
460	L	56	Low	56.3	Low	3 Å²	3	81 Å²	81	2%	0.016	40%	0.401	C	S	.	.	H	α-helix	trans	-62.7	-18.9	173	-60.4	-178.8	0	0	0	113.3	V424 E426 L453 Y454 N457 I464 F468	V424-L460 HydrophobicContact CG1-CD2 4.47Å; E426-L460 VanDerWaalsContact OE2-CD2 3.3Å; E426-L460 WeakPolarHBondContact OE2-CD2 3.43Å; L453-L460 HydrophobicContact CB-CD1 4.47Å; Y454-L460 HydrophobicContact CD1-CB 4.18Å; N457-L460 HydrophobicContact CB-CB 4.27Å; N457-L460 HydrophobicContact CB-CD1 3.85Å; N457-L460 HydrophobicContact CB-CG 3.86Å; N457-L460 WeakPolarHBondContact O-CB 3.43Å; N457-L460 PolarHBondContact O-N 2.82Å; N457-L460 VanDerWaalsContact O-N 3.14Å; L460-I464 HydrophobicContact CB-CD1 4.47Å; L460-I464 HydrophobicContact CD2-CD1 3.67Å; L460-F468 HydrophobicContact CD2-CE1 4.36Å; L460-F468 HydrophobicContact CD2-CE2 4.29Å; L460-F468 HydrophobicContact CD2-CZ 3.73Å
461	Q	52.9	Low	55.6	Low	69 Å²	69	81.3 Å²	81.3	32%	0.322	40%	0.403	S	S	.	.	H	α-helix	trans	-80.3	-50.9	169.3	-61.5	-171.7	-0.5	0	0	111.5	Y454 N457 P458 K459 Y465	Y454-Q461 VanDerWaalsContact O-CG 3.32Å; Y454-Q461 WeakPolarHBondContact O-CG 3.4Å; Y454-Q461 PolarHBondContact O-NE2 3.34Å; N457-Q461 PolarHBondContact O-N 2.75Å; P458-Q461 WeakPolarHBondContact O-CB 3.31Å; P458-Q461 PolarHBondContact O-N 3.09Å; K459-Q461 PolarHBondContact O-N 2.82Å; K459-Q461 VanDerWaalsContact O-N 3.16Å; Q461-Y465 WeakPolarHBondContact O-CB 3.49Å; Q461-Y465 PolarHBondContact O-N 2.82Å
462	N	46.4	Very low	55.4	Low	124 Å²	124	82.5 Å²	82.5	66%	0.663	40%	0.402	S	S	*	.	H	α-helix	trans	-81.3	-38.7	-162.5	-75.5	-3.5	0	0	0	114.9	P458 K459 I464	P458-N462 PolarHBondContact O-N 2.83Å; K459-N462 PolarHBondContact O-N 2.88Å; K459-N462 VanDerWaalsContact O-N 3.12Å; N462-I464 VanDerWaalsContact C-N 3.27Å
463	E	46.9	Very low	55.7	Low	149 Å²	149	80.3 Å²	80.3	70%	0.696	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.6	177.4	-74.5	172.7	149.9	0	0	111.3	K459	K459-E463 PolarHBondContact O-N 3.12Å; K459-E463 VanDerWaalsContact O-N 3.16Å
464	I	46	Very low	56.3	Low	6 Å²	6	85.1 Å²	85.1	3%	0.031	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.2	4.9	-152.9	4.6	170.3	0	0	0	116.5	E426 L460 N462 N466 E467 F468 L471	E426-I464 VanDerWaalsContact OE2-CD1 3.24Å; E426-I464 WeakPolarHBondContact OE2-CD1 3.32Å; L460-I464 HydrophobicContact CB-CD1 4.47Å; L460-I464 HydrophobicContact CD2-CD1 3.67Å; N462-I464 VanDerWaalsContact C-N 3.27Å; I464-N466 PolarHBondContact O-N 3.47Å; I464-E467 HydrophobicContact CG2-CB 3.58Å; I464-E467 PolarHBondContact O-N 3.02Å; I464-F468 HydrophobicContact CB-CB 3.88Å; I464-F468 HydrophobicContact CB-CD2 3.76Å; I464-F468 HydrophobicContact CB-CE2 4.43Å; I464-F468 HydrophobicContact CB-CG 4.1Å; I464-F468 HydrophobicContact CD1-CD2 3.7Å; I464-F468 HydrophobicContact CD1-CE2 3.45Å; I464-F468 VanDerWaalsContact CD1-CE2 3.45Å; I464-F468 HydrophobicContact CD1-CG 4.49Å; I464-F468 HydrophobicContact CD1-CZ 4.13Å; I464-F468 HydrophobicContact CG1-CD2 4.32Å; I464-F468 HydrophobicContact CG2-CB 3.99Å; I464-F468 HydrophobicContact CG2-CD2 3.49Å; I464-F468 VanDerWaalsContact CG2-CD2 3.49Å; I464-F468 HydrophobicContact CG2-CE2 4.26Å; I464-F468 HydrophobicContact CG2-CG 4.16Å; I464-F468 WeakPolarHBondContact O-CA 3.27Å; I464-F468 WeakPolarHBondContact O-CB 3.46Å; I464-F468 PolarHBondContact O-N 2.68Å; I464-L471 HydrophobicContact CG2-CD1 4.23Å
465	Y	42.5	Very low	57.4	Low	146 Å²	146	83.8 Å²	83.8	57%	0.573	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.9	176.9	-160.1	-95.7	0	0	0	114.6	Q461 Q469	Q461-Y465 WeakPolarHBondContact O-CB 3.49Å; Q461-Y465 PolarHBondContact O-N 2.82Å; Y465-Q469 WeakPolarHBondContact O-CG 3.35Å; Y465-Q469 PolarHBondContact O-NE2 3.48Å
466	N	42	Very low	58.6	Low	127 Å²	127	80.7 Å²	80.7	68%	0.679	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-40.5	172.4	-70.6	-26.8	0	0	0	112.8	I464 N470	I464-N466 PolarHBondContact O-N 3.47Å; N466-N470 PolarHBondContact O-ND2 2.88Å
467	E	44.4	Very low	59.9	Low	121 Å²	121	77 Å²	77	57%	0.565	36%	0.36	S	S	*	.	H	α-helix	trans	-72.5	-42.1	179.8	-75.2	-173.4	179.4	0	0	112.4	I464 Q469 N470 L471	I464-E467 HydrophobicContact CG2-CB 3.58Å; I464-E467 PolarHBondContact O-N 3.02Å; E467-Q469 PolarHBondContact O-N 3.36Å; E467-N470 CarbonylContact O-C 3.56Å; E467-N470 PolarHBondContact O-N 3.06Å; E467-L471 HydrophobicContact CB-CD1 4.03Å; E467-L471 WeakPolarHBondContact O-CB 3.32Å; E467-L471 VanDerWaalsContact O-CG 3.23Å; E467-L471 WeakPolarHBondContact O-CG 3.37Å; E467-L471 PolarHBondContact O-N 3.17Å
468	F	48.9	Very low	61	Low	7 Å²	7	77.8 Å²	77.8	3%	0.031	36%	0.362	C	S	.	.	H	α-helix	trans	-70	-13.7	179.5	-123.4	-135.2	0	0	0	113	V424 Y454 L460 I464 L471 K473 I513	V424-F468 HydrophobicContact CG1-CZ 4.37Å; Y454-F468 AromaticContact CE1-CD1 3.61Å; Y454-F468 HydrophobicContact CE1-CD1 3.61Å; Y454-F468 HydrophobicContact CE1-CE1 4.14Å; Y454-F468 HydrophobicContact CE1-CG 4.48Å; Y454-F468 AromaticContact CZ-CD1 3.91Å; Y454-F468 WeakPolarHBondContact OH-CD1 3.41Å; L460-F468 HydrophobicContact CD2-CE1 4.36Å; L460-F468 HydrophobicContact CD2-CE2 4.29Å; L460-F468 HydrophobicContact CD2-CZ 3.73Å; I464-F468 HydrophobicContact CB-CB 3.88Å; I464-F468 HydrophobicContact CB-CD2 3.76Å; I464-F468 HydrophobicContact CB-CE2 4.43Å; I464-F468 HydrophobicContact CB-CG 4.1Å; I464-F468 HydrophobicContact CD1-CD2 3.7Å; I464-F468 HydrophobicContact CD1-CE2 3.45Å; I464-F468 VanDerWaalsContact CD1-CE2 3.45Å; I464-F468 HydrophobicContact CD1-CG 4.49Å; I464-F468 HydrophobicContact CD1-CZ 4.13Å; I464-F468 HydrophobicContact CG1-CD2 4.32Å; I464-F468 HydrophobicContact CG2-CB 3.99Å; I464-F468 HydrophobicContact CG2-CD2 3.49Å; I464-F468 VanDerWaalsContact CG2-CD2 3.49Å; I464-F468 HydrophobicContact CG2-CE2 4.26Å; I464-F468 HydrophobicContact CG2-CG 4.16Å; I464-F468 WeakPolarHBondContact O-CA 3.27Å; I464-F468 WeakPolarHBondContact O-CB 3.46Å; I464-F468 PolarHBondContact O-N 2.68Å; F468-L471 HydrophobicContact CD2-CD1 4.44Å; F468-K473 HydrophobicContact CD1-CD 4.46Å; F468-K473 WeakPolarHBondContact O-CE 3.39Å; F468-K473 PolarHBondContact O-NZ 2.82Å; F468-I513 HydrophobicContact CD2-CD1 4.49Å; F468-I513 HydrophobicContact CD2-CG1 4.41Å; F468-I513 HydrophobicContact CD2-CG2 4.37Å; F468-I513 HydrophobicContact CE2-CD1 3.34Å; F468-I513 HydrophobicContact CE2-CG1 3.62Å; F468-I513 HydrophobicContact CE2-CG2 4.17Å; F468-I513 HydrophobicContact CZ-CD1 3.39Å; F468-I513 HydrophobicContact CZ-CG1 3.79Å
469	Q	50.5	Low	62.5	Low	124 Å²	124	75.6 Å²	75.6	58%	0.579	35%	0.348	S	S	*	.	H	α-helix	trans	-81.4	-27.5	168.8	-73.9	-168.9	57.9	0	0	111.9	Y465 E467	Y465-Q469 WeakPolarHBondContact O-CG 3.35Å; Y465-Q469 PolarHBondContact O-NE2 3.48Å; E467-Q469 PolarHBondContact O-N 3.36Å
470	N	47.6	Very low	63.6	Low	136 Å²	136	74.5 Å²	74.5	73%	0.727	35%	0.345	S	S	*	.	H	α-helix	trans	-94.8	-31.6	-179.2	-64.8	-26.9	0	0	0	112.9	N466 E467 R472	N466-N470 PolarHBondContact O-ND2 2.88Å; E467-N470 CarbonylContact O-C 3.56Å; E467-N470 PolarHBondContact O-N 3.06Å; N470-R472 PolarHBondContact O-N 2.86Å
471	L	57.2	Low	64.7	Low	21 Å²	21	74.9 Å²	74.9	11%	0.11	35%	0.348	C	S	.	.	S	Bend	trans	-67.9	128.2	178.3	-72.3	165.3	0	0	0	110.6	I464 E467 F468 K473 I513 D514	I464-L471 HydrophobicContact CG2-CD1 4.23Å; E467-L471 HydrophobicContact CB-CD1 4.03Å; E467-L471 WeakPolarHBondContact O-CB 3.32Å; E467-L471 VanDerWaalsContact O-CG 3.23Å; E467-L471 WeakPolarHBondContact O-CG 3.37Å; E467-L471 PolarHBondContact O-N 3.17Å; F468-L471 HydrophobicContact CD2-CD1 4.44Å; L471-K473 PolarHBondContact O-N 3.18Å; L471-I513 HydrophobicContact CB-CG2 4.06Å; L471-I513 HydrophobicContact CD1-CG2 3.77Å; L471-I513 HydrophobicContact CG-CG2 4.38Å; L471-D514 WeakPolarHBondContact CD2-O 3.35Å
472	R	68.5	Low	65.7	Low	150 Å²	150	79.3 Å²	79.3	57%	0.566	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	130.1	173.4	-72.5	-171.7	177.2	152.2	19.3	109.7	N470 D514 E517	N470-R472 PolarHBondContact O-N 2.86Å; R472-D514 HydrophobicContact CB-CB 4.23Å; R472-D514 WeakPolarHBondContact O-CB 3.47Å; R472-D514 PolarHBondContact O-N 2.68Å; R472-E517 WeakPolarHBondContact CD-OE2 3.4Å; R472-E517 IonicContact CZ-OE1 3.8Å; R472-E517 IonicContact CZ-OE2 2.72Å; R472-E517 IonicContact NE-OE1 3.88Å; R472-E517 IonicContact NE-OE2 3.03Å; R472-E517 PolarHBondContact NE-OE2 2.7Å; R472-E517 IonicContact NH1-OE1 2.73Å; R472-E517 PolarHBondContact NH1-OE1 2.75Å; R472-E517 IonicContact NH1-OE2 2.78Å; R472-E517 PolarHBondContact NH1-OE2 2.94Å; R472-E517 IonicContact NH2-OE1 3.25Å; R472-E517 PolarHBondContact NH2-OE1 2.67Å; R472-E517 IonicContact NH2-OE2 2.99Å; R472-E517 PolarHBondContact NH2-OE2 2.67Å
473	K	77.8	Confident	66.7	Low	45 Å²	45	81.2 Å²	81.2	20%	0.196	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.7	176	-65.6	167.7	-164.8	164	0	109.4	Y454 F468 L471 F475 I511 E512	Y454-K473 PolarHBondContact OH-NZ 3.27Å; F468-K473 HydrophobicContact CD1-CD 4.46Å; F468-K473 WeakPolarHBondContact O-CE 3.39Å; F468-K473 PolarHBondContact O-NZ 2.82Å; L471-K473 PolarHBondContact O-N 3.18Å; K473-F475 HydrophobicContact CB-CD2 4.39Å; K473-F475 HydrophobicContact CB-CE2 3.53Å; K473-F475 HydrophobicContact CB-CZ 3.71Å; K473-F475 HydrophobicContact CD-CZ 4.2Å; K473-F475 WeakPolarHBondContact O-CE2 3.5Å; K473-I511 HydrophobicContact CB-CG2 4.36Å; K473-I511 HydrophobicContact CG-CG2 4.49Å; K473-E512 CarbonylContact C-O 3.59Å; K473-E512 VanDerWaalsContact CA-O 3.32Å; K473-E512 WeakPolarHBondContact CA-O 3.35Å
474	R	85.3	Confident	67.4	Low	105 Å²	105	78.2 Å²	78.2	40%	0.396	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.2	172.7	-55.8	-173.5	-165.5	-164.4	6.7	109	Y476 I511 E512 D514	R474-Y476 HydrophobicContact CB-CD2 4.35Å; R474-Y476 HydrophobicContact CB-CE2 3.51Å; R474-Y476 VanDerWaalsContact CD-OH 3.23Å; R474-Y476 WeakPolarHBondContact CD-OH 3.49Å; R474-I511 WeakPolarHBondContact O-CA 3.34Å; R474-E512 HydrophobicContact CB-CB 4.46Å; R474-E512 PolarHBondContact N-O 3.03Å; R474-E512 PolarHBondContact O-N 3.18Å; R474-D514 IonicContact CZ-OD2 3.12Å; R474-D514 IonicContact NE-OD2 3.23Å; R474-D514 PolarHBondContact NE-OD2 2.91Å; R474-D514 IonicContact NH2-OD2 3.34Å; R474-D514 PolarHBondContact NH2-OD2 2.99Å
475	F	89.5	Confident	67.8	Low	9 Å²	9	86.3 Å²	86.3	4%	0.039	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	107.7	-172.4	-64.7	-93.1	0	0	0	109.4	L442 F445 K446 I450 K473 F477 E492 I493 I511	L442-F475 HydrophobicContact CD1-CB 3.81Å; L442-F475 HydrophobicContact CD1-CD1 4.06Å; L442-F475 HydrophobicContact CD1-CD2 4.12Å; L442-F475 HydrophobicContact CD1-CG 3.73Å; F445-F475 HydrophobicContact CD1-CD1 4.31Å; F445-F475 HydrophobicContact CE1-CD1 4.13Å; F445-F475 HydrophobicContact CE1-CE1 4.37Å; K446-F475 HydrophobicContact CD-CE2 4.34Å; K446-F475 HydrophobicContact CD-CZ 4.43Å; K446-F475 HydrophobicContact CG-CE1 4.18Å; K446-F475 HydrophobicContact CG-CE2 4.24Å; K446-F475 HydrophobicContact CG-CZ 3.86Å; I450-F475 HydrophobicContact CD1-CE1 3.85Å; I450-F475 HydrophobicContact CD1-CZ 3.78Å; K473-F475 HydrophobicContact CB-CD2 4.39Å; K473-F475 HydrophobicContact CB-CE2 3.53Å; K473-F475 HydrophobicContact CB-CZ 3.71Å; K473-F475 HydrophobicContact CD-CZ 4.2Å; K473-F475 WeakPolarHBondContact O-CE2 3.5Å; F475-F477 HydrophobicContact CB-CE2 3.66Å; F475-F477 HydrophobicContact CB-CZ 4.12Å; F475-E492 WeakPolarHBondContact O-CA 3.12Å; F475-I493 PolarHBondContact O-N 3.29Å; F475-I511 HydrophobicContact CD1-CD1 4.38Å; F475-I511 HydrophobicContact CD1-CG1 3.98Å; F475-I511 HydrophobicContact CE1-CD1 4.02Å; F475-I511 HydrophobicContact CE1-CG1 4.03Å; F475-I511 HydrophobicContact CE1-CG2 4.18Å
476	Y	91.4	Very high	68.5	Low	32 Å²	32	83.1 Å²	83.1	13%	0.125	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.1	-179.8	-60.5	-84.5	0	0	0	110.1	R474 Y491 E492 A509 K510 E512	R474-Y476 HydrophobicContact CB-CD2 4.35Å; R474-Y476 HydrophobicContact CB-CE2 3.51Å; R474-Y476 VanDerWaalsContact CD-OH 3.23Å; R474-Y476 WeakPolarHBondContact CD-OH 3.49Å; Y476-Y491 CarbonylContact C-O 3.51Å; Y476-Y491 VanDerWaalsContact CA-O 3.32Å; Y476-Y491 WeakPolarHBondContact CA-O 3.02Å; Y476-E492 HydrophobicContact CD1-CB 3.69Å; Y476-E492 HydrophobicContact CD1-CG 3.98Å; Y476-E492 HydrophobicContact CE1-CB 3.47Å; Y476-E492 VanDerWaalsContact CE1-CB 3.47Å; Y476-E492 HydrophobicContact CE1-CG 3.53Å; Y476-E492 WeakPolarHBondContact CE1-OE2 3.46Å; Y476-E492 VanDerWaalsContact CZ-OE2 3.27Å; Y476-E492 PolarHBondContact OH-OE2 2.99Å; Y476-A509 CarbonylContact O-C 3.55Å; Y476-A509 WeakPolarHBondContact O-CA 3.38Å; Y476-K510 PolarHBondContact N-O 2.9Å; Y476-K510 PolarHBondContact O-N 3.35Å; Y476-E512 HydrophobicContact CD2-CG 4.05Å; Y476-E512 HydrophobicContact CE2-CB 4.15Å; Y476-E512 VanDerWaalsContact CE2-CD 3.48Å; Y476-E512 HydrophobicContact CE2-CG 3.84Å; Y476-E512 WeakPolarHBondContact CE2-OE2 3.31Å
477	F	91	Very high	69.8	Low	0 Å²	0	81.3 Å²	81.3	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.3	-178.9	-62.3	-88	0	0	0	111.4	L442 F445 F475 T479 Y490 Y491 I493 I500 P501 I507 W508 A509	L442-F477 HydrophobicContact CD1-CE2 4.01Å; L442-F477 HydrophobicContact CD1-CZ 4.01Å; F445-F477 HydrophobicContact CD1-CE1 4.27Å; F445-F477 AromaticContact CD1-CZ 3.99Å; F445-F477 HydrophobicContact CD1-CZ 3.99Å; F445-F477 HydrophobicContact CD2-CE1 4.03Å; F445-F477 HydrophobicContact CD2-CZ 4.45Å; F445-F477 HydrophobicContact CE1-CE1 4.16Å; F445-F477 HydrophobicContact CE1-CZ 4.12Å; F445-F477 AromaticContact CE2-CE1 3.91Å; F445-F477 HydrophobicContact CE2-CE1 3.91Å; F445-F477 HydrophobicContact CG-CE1 4.22Å; F445-F477 HydrophobicContact CG-CZ 4.18Å; F445-F477 AromaticContact CZ-CE1 3.99Å; F445-F477 HydrophobicContact CZ-CE1 3.99Å; F445-F477 HydrophobicContact CZ-CZ 4.42Å; F475-F477 HydrophobicContact CB-CE2 3.66Å; F475-F477 HydrophobicContact CB-CZ 4.12Å; F477-T479 PolarHBondContact O-N 2.68Å; F477-Y490 CarbonylContact O-C 3.52Å; F477-Y490 WeakPolarHBondContact O-CA 3.42Å; F477-Y491 PolarHBondContact N-O 3.36Å; F477-Y491 PolarHBondContact O-N 2.72Å; F477-I493 HydrophobicContact CB-CD1 4.43Å; F477-I493 HydrophobicContact CD2-CB 3.98Å; F477-I493 HydrophobicContact CD2-CD1 3.53Å; F477-I493 HydrophobicContact CD2-CG1 3.73Å; F477-I493 HydrophobicContact CE2-CB 4Å; F477-I493 HydrophobicContact CE2-CD1 4.06Å; F477-I493 HydrophobicContact CE2-CG1 4.24Å; F477-I493 HydrophobicContact CG-CD1 4.19Å; F477-I500 HydrophobicContact CB-CG2 4.49Å; F477-I500 HydrophobicContact CD1-CB 4.43Å; F477-I500 HydrophobicContact CD1-CD1 4.42Å; F477-I500 HydrophobicContact CD1-CG1 4.21Å; F477-I500 HydrophobicContact CD1-CG2 3.43Å; F477-I500 VanDerWaalsContact CD1-CG2 3.43Å; F477-I500 HydrophobicContact CD2-CG1 4.41Å; F477-I500 HydrophobicContact CE1-CB 4.45Å; F477-I500 HydrophobicContact CE1-CD1 3.63Å; F477-I500 HydrophobicContact CE1-CG1 3.86Å; F477-I500 HydrophobicContact CE1-CG2 3.72Å; F477-I500 HydrophobicContact CE2-CD1 4.32Å; F477-I500 HydrophobicContact CE2-CG1 4.08Å; F477-I500 HydrophobicContact CG-CG1 4.46Å; F477-I500 HydrophobicContact CG-CG2 3.98Å; F477-I500 HydrophobicContact CZ-CD1 3.57Å; F477-I500 HydrophobicContact CZ-CG1 3.78Å; F477-I500 HydrophobicContact CZ-CG2 4.48Å; F477-P501 HydrophobicContact CB-CG 3.79Å; F477-I507 HydrophobicContact CD1-CG2 4.3Å; F477-I507 HydrophobicContact CE1-CG2 4.42Å; F477-W508 CarbonylContact C-O 3.57Å; F477-W508 VanDerWaalsContact CA-O 3.31Å; F477-W508 WeakPolarHBondContact CA-O 3.38Å; F477-A509 HydrophobicContact CD1-CB 3.83Å; F477-A509 HydrophobicContact CE1-CB 3.65Å
478	K	85.6	Confident	71.4	Confident	34 Å²	34	78.3 Å²	78.3	15%	0.148	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.4	179.3	-159.3	173	177.8	166.2	0	110.3	M488 I489 Y490 W503 W508	K478-M488 VanDerWaalsContact CE-SD 3.52Å; K478-I489 WeakPolarHBondContact CA-O 3.32Å; K478-Y490 HydrophobicContact CB-CD1 4.17Å; K478-Y490 HydrophobicContact CB-CE1 3.81Å; K478-Y490 HydrophobicContact CD-CE2 4.25Å; K478-Y490 HydrophobicContact CG-CE1 4.42Å; K478-Y490 HydrophobicContact CG-CE2 4.29Å; K478-W503 HydrophobicContact CB-CB 4.12Å; K478-W503 HydrophobicContact CB-CG 4.41Å; K478-W503 HydrophobicContact CD-CB 4.45Å; K478-W503 HydrophobicContact CD-CD2 4.49Å; K478-W503 HydrophobicContact CD-CG 3.93Å; K478-W503 HydrophobicContact CG-CB 4.22Å; K478-W503 HydrophobicContact CG-CD2 4.39Å; K478-W503 HydrophobicContact CG-CG 3.99Å; K478-W508 HydrophobicContact CB-CB 3.46Å; K478-W508 VanDerWaalsContact CB-CB 3.46Å; K478-W508 HydrophobicContact CB-CG 4.17Å; K478-W508 HydrophobicContact CD-CB 4.22Å; K478-W508 HydrophobicContact CD-CD2 4.24Å; K478-W508 HydrophobicContact CD-CE3 4.45Å; K478-W508 HydrophobicContact CD-CG 4.15Å; K478-W508 PolarHBondContact N-O 3.16Å
479	T	85.9	Confident	73.1	Confident	33 Å²	33	80.1 Å²	80.1	20%	0.202	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	162.5	177.8	-172.9	0	0	0	0	111	F477 M488 I489 P501	F477-T479 PolarHBondContact O-N 2.68Å; T479-M488 VanDerWaalsContact O-CA 3.31Å; T479-M488 WeakPolarHBondContact O-CA 3.5Å; T479-I489 HydrophobicContact CG2-CD1 3.92Å; T479-I489 HydrophobicContact CG2-CG1 3.53Å; T479-I489 PolarHBondContact N-O 3.5Å; T479-I489 PolarHBondContact O-N 3.28Å; T479-P501 HydrophobicContact CG2-CG 4.5Å
480	E	79.2	Confident	74.7	Confident	123 Å²	123	78.3 Å²	78.3	58%	0.575	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	147.1	168.4	-163.1	148.4	-146.9	0	0	110.2	W503	E480-W503 HydrophobicContact CB-CE3 4.28Å; E480-W503 HydrophobicContact CB-CZ3 3.74Å; E480-W503 HydrophobicContact CG-CZ3 4.09Å
481	S	79	Confident	76.6	Confident	12 Å²	12	77.2 Å²	77.2	8%	0.084	37%	0.368	C	S	.	.			trans	-152.5	131.9	173.7	170.1	0	0	0	0	109.9	E483 N487	S481-E483 PolarHBondContact O-N 3.05Å; S481-E483 WeakPolarHBondContact OG-CB 3.18Å; S481-E483 PolarHBondContact OG-N 3.07Å; S481-E483 VanDerWaalsContact OG-N 3.15Å; S481-N487 PolarHBondContact N-O 3.49Å; S481-N487 CarbonylContact O-C 3.44Å; S481-N487 WeakPolarHBondContact O-CA 3.38Å
482	D	73.8	Confident	78.3	Confident	161 Å²	161	79.1 Å²	79.1	86%	0.861	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.8	175.9	-58.2	-37.1	0	0	0	112.6
483	E	67.8	Low	79.4	Confident	164 Å²	164	72.1 Å²	72.1	77%	0.766	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-17.8	-172.2	-58.2	-175.7	161.5	0	0	113.7	S481	S481-E483 PolarHBondContact O-N 3.05Å; S481-E483 WeakPolarHBondContact OG-CB 3.18Å; S481-E483 PolarHBondContact OG-N 3.07Å; S481-E483 VanDerWaalsContact OG-N 3.15Å
484	L	61.6	Low	79.9	Confident	87 Å²	87	76.1 Å²	76.1	46%	0.455	37%	0.372	S	S	.	.	S	Bend	trans	-124.4	142.9	-176.9	-61.8	-175.2	0	0	0	111.9	T486 N487 I489	L484-T486 WeakPolarHBondContact CB-OG1 3.32Å; L484-T486 PolarHBondContact O-N 3.42Å; L484-N487 PolarHBondContact O-N 2.8Å; L484-I489 HydrophobicContact CD1-CG2 3.57Å; L484-I489 HydrophobicContact CG-CG2 4.17Å
485	N	53.8	Low	80	Confident	176 Å²	176	75.1 Å²	75.1	94%	0.941	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-10.3	173.4	-64.3	-12.2	0	0	0	114.6
486	T	57.2	Low	80	Confident	79 Å²	79	78 Å²	78	49%	0.485	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.3	176.6	50	0	0	0	0	113.8	L484 M488	L484-T486 WeakPolarHBondContact CB-OG1 3.32Å; L484-T486 PolarHBondContact O-N 3.42Å; T486-M488 HydrophobicContact CG2-CE 4.35Å; T486-M488 WeakPolarHBondContact O-CG 3.23Å; T486-M488 PolarHBondContact O-N 2.84Å; T486-M488 PolarHBondContact OG1-O 2.87Å; T486-M488 VanDerWaalsContact OG1-O 3.1Å
487	N	69.6	Low	79.9	Confident	89 Å²	89	81.1 Å²	81.1	48%	0.476	41%	0.413	S	S	.	.	S	Bend	trans	50.5	20.9	-172.2	-67.2	30.2	0	0	0	114.2	S481 L484 W503	S481-N487 PolarHBondContact N-O 3.49Å; S481-N487 CarbonylContact O-C 3.44Å; S481-N487 WeakPolarHBondContact O-CA 3.38Å; L484-N487 PolarHBondContact O-N 2.8Å; N487-W503 WeakPolarHBondContact O-CH2 3.23Å
488	M	79.1	Confident	79.9	Confident	58 Å²	58	84.4 Å²	84.4	29%	0.286	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	141.4	-174.9	69.6	97.9	-157.7	0	0	111.6	K478 T479 T486 W503	K478-M488 VanDerWaalsContact CE-SD 3.52Å; T479-M488 VanDerWaalsContact O-CA 3.31Å; T479-M488 WeakPolarHBondContact O-CA 3.5Å; T486-M488 HydrophobicContact CG2-CE 4.35Å; T486-M488 WeakPolarHBondContact O-CG 3.23Å; T486-M488 PolarHBondContact O-N 2.84Å; T486-M488 PolarHBondContact OG1-O 2.87Å; T486-M488 VanDerWaalsContact OG1-O 3.1Å; M488-W503 HydrophobicContact CB-CH2 3.82Å; M488-W503 HydrophobicContact CB-CZ2 3.97Å; M488-W503 HydrophobicContact CB-CZ3 4.22Å
489	I	82.6	Confident	80.2	Confident	44 Å²	44	88.3 Å²	88.3	23%	0.226	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	163.8	173.1	58.4	174.6	0	0	0	110.2	K478 T479 L484	K478-I489 WeakPolarHBondContact CA-O 3.32Å; T479-I489 HydrophobicContact CG2-CD1 3.92Å; T479-I489 HydrophobicContact CG2-CG1 3.53Å; T479-I489 PolarHBondContact N-O 3.5Å; T479-I489 PolarHBondContact O-N 3.28Å; L484-I489 HydrophobicContact CD1-CG2 3.57Å; L484-I489 HydrophobicContact CG-CG2 4.17Å
490	Y	85.8	Confident	80.5	Confident	87 Å²	87	87 Å²	87	34%	0.341	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	110.5	159.1	-85.9	-84.4	0	0	0	108	F477 K478 K510	F477-Y490 CarbonylContact O-C 3.52Å; F477-Y490 WeakPolarHBondContact O-CA 3.42Å; K478-Y490 HydrophobicContact CB-CD1 4.17Å; K478-Y490 HydrophobicContact CB-CE1 3.81Å; K478-Y490 HydrophobicContact CD-CE2 4.25Å; K478-Y490 HydrophobicContact CG-CE1 4.42Å; K478-Y490 HydrophobicContact CG-CE2 4.29Å; Y490-K510 HydrophobicContact CD1-CB 4.36Å; Y490-K510 HydrophobicContact CE1-CB 4.25Å
491	Y	87.7	Confident	80.9	Confident	112 Å²	112	82.4 Å²	82.4	44%	0.439	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.3	-178.7	-179.8	-101	0	0	0	110.6	Y476 F477 I493 E498	Y476-Y491 CarbonylContact C-O 3.51Å; Y476-Y491 VanDerWaalsContact CA-O 3.32Å; Y476-Y491 WeakPolarHBondContact CA-O 3.02Å; F477-Y491 PolarHBondContact N-O 3.36Å; F477-Y491 PolarHBondContact O-N 2.72Å; Y491-I493 HydrophobicContact CD1-CG1 3.72Å; Y491-I493 HydrophobicContact CE1-CG1 3.96Å; Y491-E498 WeakPolarHBondContact CE1-OE1 3.45Å
492	E	92.2	Very high	81.2	Confident	62 Å²	62	86.3 Å²	86.3	29%	0.29	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.5	177.4	-162.1	172.9	156.6	0	0	110.4	F475 Y476 I494	F475-E492 WeakPolarHBondContact O-CA 3.12Å; Y476-E492 HydrophobicContact CD1-CB 3.69Å; Y476-E492 HydrophobicContact CD1-CG 3.98Å; Y476-E492 HydrophobicContact CE1-CB 3.47Å; Y476-E492 VanDerWaalsContact CE1-CB 3.47Å; Y476-E492 HydrophobicContact CE1-CG 3.53Å; Y476-E492 WeakPolarHBondContact CE1-OE2 3.46Å; Y476-E492 VanDerWaalsContact CZ-OE2 3.27Å; Y476-E492 PolarHBondContact OH-OE2 2.99Å; E492-I494 HydrophobicContact CG-CG1 4.17Å
493	I	90.5	Very high	81.3	Confident	3 Å²	3	80.2 Å²	80.2	2%	0.015	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.5	172.9	-59.2	-176.9	0	0	0	108.2	L442 F475 F477 Y491 E498 I500	L442-I493 HydrophobicContact CB-CG2 3.99Å; L442-I493 HydrophobicContact CD2-CB 4.41Å; L442-I493 HydrophobicContact CD2-CG2 3.88Å; L442-I493 WeakPolarHBondContact CD2-O 3.43Å; L442-I493 HydrophobicContact CG-CG2 4.46Å; F475-I493 PolarHBondContact O-N 3.29Å; F477-I493 HydrophobicContact CB-CD1 4.43Å; F477-I493 HydrophobicContact CD2-CB 3.98Å; F477-I493 HydrophobicContact CD2-CD1 3.53Å; F477-I493 HydrophobicContact CD2-CG1 3.73Å; F477-I493 HydrophobicContact CE2-CB 4Å; F477-I493 HydrophobicContact CE2-CD1 4.06Å; F477-I493 HydrophobicContact CE2-CG1 4.24Å; F477-I493 HydrophobicContact CG-CD1 4.19Å; Y491-I493 HydrophobicContact CD1-CG1 3.72Å; Y491-I493 HydrophobicContact CE1-CG1 3.96Å; I493-E498 HydrophobicContact CD1-CG 4.47Å; I493-E498 HydrophobicContact CG2-CB 3.75Å; I493-E498 HydrophobicContact CG2-CG 3.88Å; I493-I500 HydrophobicContact CD1-CG1 4.19Å
494	I	90	Very high	81.7	Confident	128 Å²	128	80.7 Å²	80.7	66%	0.656	40%	0.397	S	S	*	.			trans	-110.8	-36.9	-177.2	-58.2	175.1	0	0	0	110.6	E492	E492-I494 HydrophobicContact CG-CG1 4.17Å
495	D	87.1	Confident	82.3	Confident	84 Å²	84	78.9 Å²	78.9	45%	0.449	40%	0.399	S	S	.	.			trans	-76.1	126.2	-179.6	-168.6	-33.9	0	0	0	110.4	T497 E498	D495-T497 VanDerWaalsContact CG-OG1 3.3Å; D495-T497 PolarHBondContact O-N 3.46Å; D495-T497 WeakPolarHBondContact OD1-CB 3.49Å; D495-T497 PolarHBondContact OD1-N 3.29Å; D495-T497 PolarHBondContact OD1-OG1 3.45Å; D495-E498 HydrophobicContact CB-CB 4.01Å; D495-E498 PolarHBondContact O-N 3.15Å
496	D	88.6	Confident	83.5	Confident	69 Å²	69	72.6 Å²	72.6	37%	0.369	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.3	179.2	-87	-28.2	0	0	0	113.5	E443 K446	E443-D496 HydrophobicContact CB-CB 4.12Å; E443-D496 WeakPolarHBondContact CB-O 3.38Å; E443-D496 PolarHBondContact N-O 2.83Å; K446-D496 VanDerWaalsContact CD-OD1 3.25Å; K446-D496 WeakPolarHBondContact CD-OD1 3.47Å; K446-D496 WeakPolarHBondContact CE-OD1 3.3Å; K446-D496 IonicContact NZ-OD1 2.68Å; K446-D496 PolarHBondContact NZ-OD1 2.89Å; K446-D496 IonicContact NZ-OD2 3.66Å
497	T	89.5	Confident	84.8	Confident	99 Å²	99	68.9 Å²	68.9	61%	0.607	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-12.9	178.6	68.6	0	0	0	0	113.7	D495	D495-T497 VanDerWaalsContact CG-OG1 3.3Å; D495-T497 PolarHBondContact O-N 3.46Å; D495-T497 WeakPolarHBondContact OD1-CB 3.49Å; D495-T497 PolarHBondContact OD1-N 3.29Å; D495-T497 PolarHBondContact OD1-OG1 3.45Å
498	E	91.6	Very high	85.6	Confident	68 Å²	68	67.1 Å²	67.1	32%	0.318	33%	0.329	S	S	.	.	S	Bend	trans	-71.6	141.4	-178.2	-178.9	169.7	-165.1	0	0	111.6	T441 L442 Y491 I493 D495	T441-E498 VanDerWaalsContact CA-O 3.31Å; T441-E498 WeakPolarHBondContact CA-O 3.29Å; L442-E498 PolarHBondContact N-O 2.75Å; L442-E498 VanDerWaalsContact N-O 3.16Å; Y491-E498 WeakPolarHBondContact CE1-OE1 3.45Å; I493-E498 HydrophobicContact CD1-CG 4.47Å; I493-E498 HydrophobicContact CG2-CB 3.75Å; I493-E498 HydrophobicContact CG2-CG 3.88Å; D495-E498 HydrophobicContact CB-CB 4.01Å; D495-E498 PolarHBondContact O-N 3.15Å
499	E	91.8	Very high	85.9	Confident	117 Å²	117	64.4 Å²	64.4	55%	0.547	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-80.7	133.6	-176.1	-61.7	-170.9	161.4	0	0	111.4	Q439 W440	Q439-E499 HydrophobicContact CG-CG 4.19Å; Q439-E499 PolarHBondContact NE2-OE2 2.9Å; W440-E499 WeakPolarHBondContact O-CA 3.21Å
500	I	91.6	Very high	86.1	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.021	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-77.5	124.4	-178.9	-72.4	166.1	0	0	0	110.1	W440 F445 F477 I493 I507	W440-I500 HydrophobicContact CB-CB 4.24Å; W440-I500 HydrophobicContact CB-CD1 4.25Å; W440-I500 PolarHBondContact O-N 3.37Å; F445-I500 HydrophobicContact CB-CD1 3.33Å; F445-I500 HydrophobicContact CD2-CD1 3.85Å; F445-I500 HydrophobicContact CG-CD1 3.7Å; F477-I500 HydrophobicContact CB-CG2 4.49Å; F477-I500 HydrophobicContact CD1-CB 4.43Å; F477-I500 HydrophobicContact CD1-CD1 4.42Å; F477-I500 HydrophobicContact CD1-CG1 4.21Å; F477-I500 HydrophobicContact CD1-CG2 3.43Å; F477-I500 VanDerWaalsContact CD1-CG2 3.43Å; F477-I500 HydrophobicContact CD2-CG1 4.41Å; F477-I500 HydrophobicContact CE1-CB 4.45Å; F477-I500 HydrophobicContact CE1-CD1 3.63Å; F477-I500 HydrophobicContact CE1-CG1 3.86Å; F477-I500 HydrophobicContact CE1-CG2 3.72Å; F477-I500 HydrophobicContact CE2-CD1 4.32Å; F477-I500 HydrophobicContact CE2-CG1 4.08Å; F477-I500 HydrophobicContact CG-CG1 4.46Å; F477-I500 HydrophobicContact CG-CG2 3.98Å; F477-I500 HydrophobicContact CZ-CD1 3.57Å; F477-I500 HydrophobicContact CZ-CG1 3.78Å; F477-I500 HydrophobicContact CZ-CG2 4.48Å; I493-I500 HydrophobicContact CD1-CG1 4.19Å; I500-I507 HydrophobicContact CG2-CG1 4.39Å; I500-I507 HydrophobicContact CG2-CG2 3.93Å
501	P	88.6	Confident	86	Confident	28 Å²	28	62.2 Å²	62.2	18%	0.182	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67.3	148.8	177.1	28.4	-34.9	0	0	0	111.2	F477 T479	F477-P501 HydrophobicContact CB-CG 3.79Å; T479-P501 HydrophobicContact CG2-CG 4.5Å
502	R	84.3	Confident	85.8	Confident	93 Å²	93	59.8 Å²	59.8	35%	0.351	30%	0.299	S	S	.	.			trans	-106.8	123.3	175.2	-61	177.4	178.9	-154	-1.5	109.2	I418 N437 I438 L506	I418-R502 HydrophobicContact CD1-CG 4.08Å; N437-R502 VanDerWaalsContact OD1-CZ 3.29Å; N437-R502 PolarHBondContact OD1-NH1 2.91Å; N437-R502 PolarHBondContact OD1-NH2 2.59Å; I438-R502 PolarHBondContact O-NH2 2.72Å; R502-L506 CarbonylContact C-O 3.58Å; R502-L506 WeakPolarHBondContact CA-O 3.31Å
503	W	76.3	Confident	84.9	Confident	33 Å²	33	57.3 Å²	57.3	13%	0.125	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-101.1	118.4	174.6	177.8	-104.9	0	0	0	110.4	K478 E480 N487 M488 G505 L506 W508	K478-W503 HydrophobicContact CB-CB 4.12Å; K478-W503 HydrophobicContact CB-CG 4.41Å; K478-W503 HydrophobicContact CD-CB 4.45Å; K478-W503 HydrophobicContact CD-CD2 4.49Å; K478-W503 HydrophobicContact CD-CG 3.93Å; K478-W503 HydrophobicContact CG-CB 4.22Å; K478-W503 HydrophobicContact CG-CD2 4.39Å; K478-W503 HydrophobicContact CG-CG 3.99Å; E480-W503 HydrophobicContact CB-CE3 4.28Å; E480-W503 HydrophobicContact CB-CZ3 3.74Å; E480-W503 HydrophobicContact CG-CZ3 4.09Å; N487-W503 WeakPolarHBondContact O-CH2 3.23Å; M488-W503 HydrophobicContact CB-CH2 3.82Å; M488-W503 HydrophobicContact CB-CZ2 3.97Å; M488-W503 HydrophobicContact CB-CZ3 4.22Å; W503-G505 PolarHBondContact O-N 2.62Å; W503-L506 PolarHBondContact N-O 3.41Å; W503-L506 PolarHBondContact O-N 3.49Å; W503-W508 AromaticContact CD1-CD1 3.99Å; W503-W508 AromaticContact CD1-NE1 3.88Å
504	K	76.4	Confident	83.8	Confident	175 Å²	175	58.5 Å²	58.5	76%	0.761	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	40.2	-176.3	-60.7	-172.4	176.1	-170.8	0	113.5	L506	K504-L506 VanDerWaalsContact C-N 3.28Å; K504-L506 PolarHBondContact O-N 3.2Å
505	G	73.1	Confident	82.4	Confident	48 Å²	48	57.6 Å²	57.6	50%	0.495	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-1.4	-179.9	0	0	0	0	0	115.5	I418 W503	I418-G505 WeakPolarHBondContact CD1-O 3.29Å; I418-G505 WeakPolarHBondContact CG1-O 3.09Å; W503-G505 PolarHBondContact O-N 2.62Å
506	L	79.8	Confident	80.5	Confident	45 Å²	45	60.4 Å²	60.4	24%	0.236	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-112	158.1	-179.3	-55	-174.2	0	0	0	111.5	I419 I421 R502 W503 K504	I419-L506 HydrophobicContact CB-CD2 4.08Å; I419-L506 HydrophobicContact CD1-CD2 4.49Å; I421-L506 HydrophobicContact CD1-CD1 4.04Å; R502-L506 CarbonylContact C-O 3.58Å; R502-L506 WeakPolarHBondContact CA-O 3.31Å; W503-L506 PolarHBondContact N-O 3.41Å; W503-L506 PolarHBondContact O-N 3.49Å; K504-L506 VanDerWaalsContact C-N 3.28Å; K504-L506 PolarHBondContact O-N 3.2Å
507	I	84.4	Confident	78.2	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.2	165.1	-63.4	169.8	0	0	0	107.7	I418 I419 S420 I421 W440 F445 F477 I500	I418-I507 HydrophobicContact CD1-CD1 4.24Å; I418-I507 HydrophobicContact CD1-CG1 3.92Å; I418-I507 HydrophobicContact CG1-CG1 4.48Å; I418-I507 HydrophobicContact CG2-CD1 4.24Å; I419-I507 PolarHBondContact O-N 3.16Å; S420-I507 CarbonylContact C-O 3.53Å; S420-I507 WeakPolarHBondContact CA-O 3.5Å; I421-I507 PolarHBondContact N-O 2.73Å; W440-I507 HydrophobicContact CB-CD1 4.22Å; W440-I507 HydrophobicContact CD2-CD1 4.29Å; W440-I507 HydrophobicContact CG-CD1 3.77Å; F445-I507 HydrophobicContact CE2-CG2 4.1Å; F477-I507 HydrophobicContact CD1-CG2 4.3Å; F477-I507 HydrophobicContact CE1-CG2 4.42Å; I500-I507 HydrophobicContact CG2-CG1 4.39Å; I500-I507 HydrophobicContact CG2-CG2 3.93Å
508	W	85.7	Confident	75.5	Confident	52 Å²	52	63.2 Å²	63.2	20%	0.197	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	110.8	175.9	-74.8	76.5	0	0	0	107.6	I421 Y423 F477 K478 W503	I421-W508 HydrophobicContact CB-CD2 4.42Å; I421-W508 HydrophobicContact CB-CE3 4.41Å; I421-W508 HydrophobicContact CD1-CD2 4.32Å; I421-W508 HydrophobicContact CD1-CH2 3.85Å; I421-W508 HydrophobicContact CD1-CZ2 3.58Å; I421-W508 HydrophobicContact CD1-CZ3 4.34Å; I421-W508 HydrophobicContact CG2-CE3 4.2Å; I421-W508 HydrophobicContact CG2-CZ3 4.17Å; I421-W508 WeakPolarHBondContact O-CA 3.35Å; Y423-W508 AromaticContact CE2-CE3 3.97Å; Y423-W508 HydrophobicContact CE2-CE3 3.97Å; Y423-W508 HydrophobicContact CE2-CZ3 4.01Å; F477-W508 CarbonylContact C-O 3.57Å; F477-W508 VanDerWaalsContact CA-O 3.31Å; F477-W508 WeakPolarHBondContact CA-O 3.38Å; K478-W508 HydrophobicContact CB-CB 3.46Å; K478-W508 VanDerWaalsContact CB-CB 3.46Å; K478-W508 HydrophobicContact CB-CG 4.17Å; K478-W508 HydrophobicContact CD-CB 4.22Å; K478-W508 HydrophobicContact CD-CD2 4.24Å; K478-W508 HydrophobicContact CD-CE3 4.45Å; K478-W508 HydrophobicContact CD-CG 4.15Å; K478-W508 PolarHBondContact N-O 3.16Å; W503-W508 AromaticContact CD1-CD1 3.99Å; W503-W508 AromaticContact CD1-NE1 3.88Å
509	A	86.2	Confident	72.7	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.008	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.1	-176.8	0	0	0	0	0	110.9	I421 V422 Y423 F445 Y476 F477	I421-A509 PolarHBondContact O-N 3.35Å; V422-A509 CarbonylContact C-O 3.59Å; V422-A509 WeakPolarHBondContact CA-O 3.43Å; V422-A509 HydrophobicContact CG1-CB 4.16Å; V422-A509 HydrophobicContact CG2-CB 4.38Å; Y423-A509 PolarHBondContact N-O 2.88Å; F445-A509 HydrophobicContact CE1-CB 4.23Å; F445-A509 HydrophobicContact CE2-CB 3.95Å; F445-A509 HydrophobicContact CZ-CB 3.4Å; F445-A509 VanDerWaalsContact CZ-CB 3.4Å; Y476-A509 CarbonylContact O-C 3.55Å; Y476-A509 WeakPolarHBondContact O-CA 3.38Å; F477-A509 HydrophobicContact CD1-CB 3.83Å; F477-A509 HydrophobicContact CE1-CB 3.65Å
510	K	86.5	Confident	71.7	Confident	80 Å²	80	69.6 Å²	69.6	35%	0.348	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.5	167.5	-177.7	-165.4	-171.9	-163.6	0	107.5	Y423 Y476 Y490 E512	Y423-K510 CarbonylContact O-C 3.5Å; Y423-K510 WeakPolarHBondContact O-CA 3.25Å; Y476-K510 PolarHBondContact N-O 2.9Å; Y476-K510 PolarHBondContact O-N 3.35Å; Y490-K510 HydrophobicContact CD1-CB 4.36Å; Y490-K510 HydrophobicContact CE1-CB 4.25Å; K510-E512 HydrophobicContact CD-CG 4.35Å; K510-E512 WeakPolarHBondContact CE-OE1 3.48Å; K510-E512 HydrophobicContact CG-CG 4.42Å; K510-E512 IonicContact NZ-OE1 2.88Å; K510-E512 PolarHBondContact NZ-OE1 3.48Å
511	I	85.2	Confident	70.7	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.021	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.4	178.9	-55.8	178	0	0	0	106.9	V422 Y423 V424 S425 F445 L453 K473 R474 F475	V422-I511 HydrophobicContact CG1-CD1 3.64Å; V422-I511 HydrophobicContact CG1-CG1 3.98Å; Y423-I511 PolarHBondContact O-N 3.37Å; V424-I511 HydrophobicContact CG2-CD1 4.49Å; S425-I511 PolarHBondContact N-O 3.49Å; F445-I511 HydrophobicContact CE1-CD1 4.25Å; L453-I511 HydrophobicContact CD1-CD1 3.66Å; K473-I511 HydrophobicContact CB-CG2 4.36Å; K473-I511 HydrophobicContact CG-CG2 4.49Å; R474-I511 WeakPolarHBondContact O-CA 3.34Å; F475-I511 HydrophobicContact CD1-CD1 4.38Å; F475-I511 HydrophobicContact CD1-CG1 3.98Å; F475-I511 HydrophobicContact CE1-CD1 4.02Å; F475-I511 HydrophobicContact CE1-CG1 4.03Å; F475-I511 HydrophobicContact CE1-CG2 4.18Å
512	E	82.3	Confident	69.7	Low	61 Å²	61	75.6 Å²	75.6	29%	0.285	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.5	172.8	-63.1	-175.7	177.8	0	0	109.6	K473 R474 Y476 K510	K473-E512 CarbonylContact C-O 3.59Å; K473-E512 VanDerWaalsContact CA-O 3.32Å; K473-E512 WeakPolarHBondContact CA-O 3.35Å; R474-E512 HydrophobicContact CB-CB 4.46Å; R474-E512 PolarHBondContact N-O 3.03Å; R474-E512 PolarHBondContact O-N 3.18Å; Y476-E512 HydrophobicContact CD2-CG 4.05Å; Y476-E512 HydrophobicContact CE2-CB 4.15Å; Y476-E512 VanDerWaalsContact CE2-CD 3.48Å; Y476-E512 HydrophobicContact CE2-CG 3.84Å; Y476-E512 WeakPolarHBondContact CE2-OE2 3.31Å; K510-E512 HydrophobicContact CD-CG 4.35Å; K510-E512 WeakPolarHBondContact CE-OE1 3.48Å; K510-E512 HydrophobicContact CG-CG 4.42Å; K510-E512 IonicContact NZ-OE1 2.88Å; K510-E512 PolarHBondContact NZ-OE1 3.48Å
513	I	74.1	Confident	68.8	Low	10 Å²	10	74.5 Å²	74.5	5%	0.051	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.7	-179.9	-60.8	137.5	0	0	0	107.4	V424 S425 E426 F468 L471 H515	V424-I513 HydrophobicContact CG1-CD1 3.72Å; S425-I513 WeakPolarHBondContact OG-CD1 3.39Å; S425-I513 PolarHBondContact OG-N 3.34Å; S425-I513 VanDerWaalsContact OG-N 3.1Å; E426-I513 HydrophobicContact CG-CD1 3.86Å; F468-I513 HydrophobicContact CD2-CD1 4.49Å; F468-I513 HydrophobicContact CD2-CG1 4.41Å; F468-I513 HydrophobicContact CD2-CG2 4.37Å; F468-I513 HydrophobicContact CE2-CD1 3.34Å; F468-I513 HydrophobicContact CE2-CG1 3.62Å; F468-I513 HydrophobicContact CE2-CG2 4.17Å; F468-I513 HydrophobicContact CZ-CD1 3.39Å; F468-I513 HydrophobicContact CZ-CG1 3.79Å; L471-I513 HydrophobicContact CB-CG2 4.06Å; L471-I513 HydrophobicContact CD1-CG2 3.77Å; L471-I513 HydrophobicContact CG-CG2 4.38Å; I513-H515 PolarHBondContact O-CD2 3.25Å; I513-H515 VanDerWaalsContact O-CD2 3.26Å; I513-H515 PolarHBondContact O-N 3.03Å; I513-H515 VanDerWaalsContact O-N 3.17Å
514	D	66.6	Low	68.4	Low	28 Å²	28	77.1 Å²	77.1	15%	0.15	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	91.7	-176.9	-155.7	-20.1	0	0	0	109.7	L471 R472 R474 N516	L471-D514 WeakPolarHBondContact CD2-O 3.35Å; R472-D514 HydrophobicContact CB-CB 4.23Å; R472-D514 WeakPolarHBondContact O-CB 3.47Å; R472-D514 PolarHBondContact O-N 2.68Å; R474-D514 IonicContact CZ-OD2 3.12Å; R474-D514 IonicContact NE-OD2 3.23Å; R474-D514 PolarHBondContact NE-OD2 2.91Å; R474-D514 IonicContact NH2-OD2 3.34Å; R474-D514 PolarHBondContact NH2-OD2 2.99Å; D514-N516 PolarHBondContact O-N 2.82Å; D514-N516 WeakPolarHBondContact OD1-CB 3.39Å; D514-N516 PolarHBondContact OD1-ND2 3.25Å
515	H	60	Low	67.8	Low	110 Å²	110	70.6 Å²	70.6	51%	0.509	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	1.8	179.9	-56.9	-78.6	0	0	0	114.2	E426 I513	E426-H515 IonicContact OE1-CE1 3.61Å; E426-H515 PolarHBondContact OE1-CE1 3.21Å; E426-H515 VanDerWaalsContact OE1-CE1 3.31Å; E426-H515 IonicContact OE1-NE2 3.61Å; I513-H515 PolarHBondContact O-CD2 3.25Å; I513-H515 VanDerWaalsContact O-CD2 3.26Å; I513-H515 PolarHBondContact O-N 3.03Å; I513-H515 VanDerWaalsContact O-N 3.17Å
516	N	47	Very low	67.4	Low	142 Å²	142	72.2 Å²	72.2	76%	0.759	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	14.4	-170.1	-60.3	-65.8	0	0	0	115.7	D514	D514-N516 PolarHBondContact O-N 2.82Å; D514-N516 WeakPolarHBondContact OD1-CB 3.39Å; D514-N516 PolarHBondContact OD1-ND2 3.25Å
517	E	40.8	Very low	66.5	Low	105 Å²	105	74.3 Å²	74.3	49%	0.491	38%	0.375	S	S	.	.			trans	-121.6	62.2	173.3	-71	-167.3	167.8	0	0	112.6	R472	R472-E517 WeakPolarHBondContact CD-OE2 3.4Å; R472-E517 IonicContact CZ-OE1 3.8Å; R472-E517 IonicContact CZ-OE2 2.72Å; R472-E517 IonicContact NE-OE1 3.88Å; R472-E517 IonicContact NE-OE2 3.03Å; R472-E517 PolarHBondContact NE-OE2 2.7Å; R472-E517 IonicContact NH1-OE1 2.73Å; R472-E517 PolarHBondContact NH1-OE1 2.75Å; R472-E517 IonicContact NH1-OE2 2.78Å; R472-E517 PolarHBondContact NH1-OE2 2.94Å; R472-E517 IonicContact NH2-OE1 3.25Å; R472-E517 PolarHBondContact NH2-OE1 2.67Å; R472-E517 IonicContact NH2-OE2 2.99Å; R472-E517 PolarHBondContact NH2-OE2 2.67Å
518	V	33.7	Very low	65	Low	123 Å²	123	80.4 Å²	80.4	75%	0.745	41%	0.406	S	S	*	.			trans	-123.9	103.3	158.7	-175.3	0	0	0	0	108.6
519	L	31.8	Very low	63.1	Low	249 Å²	249	83 Å²	83	100%	1.304	43%	0.425	S	S	*	.			trans	-133.2	0	173.2	-95.5	175.4	0	0	0	109.8

Retrieved 519 of 519 residues in 503.6 ms (Link to these results)

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