A0A2K5XBS3_MANLE Loading...

dual-specificity kinase

AlphaFold DB , UniProt , Accession A0A2K5XBS3, Species MANLE (Mandrillus leucophaeus, Drill), Gene CLK2, Length 499 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	36.7	Very low	239 Å²	239	153.7 Å²	153.7	100%	1.177	76%	0.76	S	S	*	*				0	146.9	0	-78.2	-64.2	-163.7	0	0	108.3
2	P	52.6	Low	36.4	Very low	118 Å²	118	158.3 Å²	158.3	77%	0.766	76%	0.762	S	S	*	*			cis	-115.7	166	-6.9	38.6	-27.2	0	0	0	114
3	H	41.2	Very low	35.8	Very low	177 Å²	177	151.5 Å²	151.5	82%	0.819	76%	0.758	S	S	*	*			trans	-105	155	157	-105.2	-57.4	0	0	0	108.3
4	P	50.2	Low	35.5	Very low	110 Å²	110	148.3 Å²	148.3	71%	0.714	76%	0.758	S	S	*	*				-134.3	158.8	117	41.1	-31.8	0	0	0	110.9
5	R	38.6	Very low	35.3	Very low	208 Å²	208	155.1 Å²	155.1	79%	0.785	77%	0.77	S	S	*	*			cis	71.8	134.8	31.8	-69.7	-171.2	173.8	-167.2	0.7	113.3
6	R	35.4	Very low	34.9	Very low	170 Å²	170	149.8 Å²	149.8	64%	0.642	77%	0.766	S	S	*	*			cis	-172.7	145.7	-7.4	-131.2	176.7	170.2	-164.7	-4.7	109.9
7	Y	31.6	Very low	34.5	Very low	167 Å²	167	146.6 Å²	146.6	66%	0.655	76%	0.761	S	S	*	*			trans	61	167.6	162.2	-60.1	-56.7	0	0	0	116.9
8	H	30.3	Very low	34.3	Very low	162 Å²	162	150 Å²	150	75%	0.75	76%	0.764	S	S	*	*			cis	-161.9	173.4	-19.5	-112.2	-35.3	0	0	0	107.9
9	S	30.3	Very low	34.1	Very low	102 Å²	102	152.5 Å²	152.5	71%	0.713	76%	0.763	S	S	*	*			cis	-135.5	-113.6	-5.6	23.5	0	0	0	0	110.3
10	S	30.8	Very low	33.9	Very low	96 Å²	96	150.8 Å²	150.8	67%	0.671	75%	0.752	S	S	*	*			cis	-168.9	158.6	-14.2	43.9	0	0	0	0	111.1
11	E	31.9	Very low	33.8	Very low	142 Å²	142	150 Å²	150	66%	0.664	75%	0.746	S	S	*	*			trans	70.8	147.3	164.5	-54	-136.2	128.8	0	0	118.7
12	R	32.5	Very low	33.7	Very low	209 Å²	209	147 Å²	147	79%	0.789	72%	0.723	S	S	*	*			cis	-157.6	142.5	-7	-124.5	179	-156.9	176.8	24.4	114.1
13	G	29.5	Very low	32.6	Very low	69 Å²	69	152.1 Å²	152.1	71%	0.711	73%	0.727	S	S	*	*			trans	80.6	161.5	150.6	0	0	0	0	0	119.6
14	S	31.7	Very low	32	Very low	107 Å²	107	148.4 Å²	148.4	75%	0.748	72%	0.721	S	S	*	*			cis	-171.8	134.9	-13.2	-106.7	0	0	0	0	113.2
15	R	32.1	Very low	31	Very low	251 Å²	251	153.2 Å²	153.2	95%	0.947	73%	0.725	S	S	*	*			trans	64.3	153.4	166.8	-56.1	167.6	173.7	163.2	-4.2	115
16	G	28.4	Very low	30.6	Very low	69 Å²	69	152 Å²	152	71%	0.711	73%	0.726	S	S	*	*			cis	135.2	150.2	0.8	0	0	0	0	0	110.4
17	S	29.2	Very low	30.3	Very low	96 Å²	96	152.7 Å²	152.7	67%	0.671	74%	0.736	S	S	*	*			cis	176.2	167.9	-7.2	38.1	0	0	0	0	109.6
18	Y	29.6	Very low	30.2	Very low	208 Å²	208	153.9 Å²	153.9	82%	0.816	74%	0.744	S	S	*	*			trans	71	152.1	166.9	-61.9	-63.7	0	0	0	117.6
19	R	31	Very low	30.2	Very low	198 Å²	198	155.6 Å²	155.6	75%	0.747	74%	0.744	S	S	*	*			cis	-158.5	174.3	-18.2	-152.7	166.7	170.6	168.9	-2.1	112.2
20	E	30.5	Very low	30	Very low	117 Å²	117	159.2 Å²	159.2	55%	0.547	74%	0.742	S	S	.	*			trans	-41.6	166.5	170.7	-47.4	161.5	88.3	0	0	116.4
21	H	30.9	Very low	29.8	Very low	134 Å²	134	164 Å²	164	62%	0.62	75%	0.745	S	S	*	*				179.8	149.1	55	-123.4	-9.8	0	0	0	116.2
22	Y	29.7	Very low	29.6	Very low	178 Å²	178	161.9 Å²	161.9	70%	0.698	75%	0.746	S	S	*	*			trans	75.8	137.8	136.9	-94.7	-49.1	0	0	0	128.5
23	R	29.5	Very low	29.3	Very low	224 Å²	224	163.1 Å²	163.1	85%	0.845	75%	0.751	S	S	*	*			trans	83.8	156.6	144.7	-70.1	163.3	-176.2	-173.6	1.9	119.9
24	S	28.4	Very low	29.1	Very low	100 Å²	100	164.3 Å²	164.3	70%	0.699	75%	0.748	S	S	*	*			cis	178.1	165.9	-32.3	-168.8	0	0	0	0	111
25	R	30.3	Very low	28.8	Very low	211 Å²	211	170.6 Å²	170.6	80%	0.796	76%	0.756	S	S	*	*			trans	80.1	151.2	164	-57.2	175.6	172.4	-178.9	-0.6	116.7
26	K	29.5	Very low	28.5	Very low	183 Å²	183	163.7 Å²	163.7	80%	0.796	75%	0.746	S	S	*	*			cis	-161.1	157.9	-9.7	-117.3	172.6	-177.4	179.8	0	112.1
27	H	29.8	Very low	28.3	Very low	184 Å²	184	165.4 Å²	165.4	85%	0.852	75%	0.747	S	S	*	*			trans	-73.7	149.6	165.3	-76.7	-72	0	0	0	114.2
28	K	29.3	Very low	28.2	Very low	192 Å²	192	166.5 Å²	166.5	84%	0.835	76%	0.755	S	S	*	*			trans	160.4	156.8	142.8	-94.3	169.8	-176.5	-176.3	0	110.3
29	R	29.1	Very low	28.3	Very low	197 Å²	197	161.6 Å²	161.6	74%	0.743	75%	0.751	S	S	*	*			cis	-168.2	142.1	-24.8	-138.6	-174.1	-171.8	-174.3	3.2	109.7
30	R	27.1	Very low	28.2	Very low	178 Å²	178	158.1 Å²	158.1	67%	0.672	75%	0.747	S	S	*	*			trans	41.7	133.6	142.8	-81.5	-176.6	170.9	-176.3	-2.2	123.4
31	R	26.4	Very low	28.1	Very low	198 Å²	198	162.4 Å²	162.4	75%	0.747	76%	0.758	S	S	*	*				82.8	102.7	128.3	-79	-175.2	174.3	-179.8	-5	123
32	S	26.6	Very low	28.1	Very low	97 Å²	97	161.6 Å²	161.6	68%	0.678	76%	0.763	S	S	*	*				49.8	121.7	114	67.2	0	0	0	0	123.2
33	R	26.6	Very low	28	Very low	235 Å²	235	163.3 Å²	163.3	89%	0.887	77%	0.768	S	S	*	*			trans	-179.3	125.3	136.5	-99.8	160.6	178	169.7	-2.7	108.2
34	S	25.4	Very low	28	Very low	94 Å²	94	163.6 Å²	163.6	66%	0.657	77%	0.769	S	S	*	*				59.1	138.2	88.8	75.2	0	0	0	0	114.4
35	W	25.2	Very low	27.9	Very low	238 Å²	238	169.7 Å²	169.7	90%	0.902	78%	0.777	S	S	*	*			cis	-169.1	-178.8	5.1	-124.3	27.1	0	0	0	109.3
36	S	25.7	Very low	27.8	Very low	107 Å²	107	171.2 Å²	171.2	75%	0.748	78%	0.783	S	S	*	*			trans	71.8	152.4	162.8	-60.3	0	0	0	0	118.3
37	S	25.6	Very low	27.6	Very low	104 Å²	104	171.6 Å²	171.6	73%	0.727	78%	0.779	S	S	*	*			cis	-160.6	175	-14.7	52.6	0	0	0	0	111.8
38	S	27	Very low	27.5	Very low	119 Å²	119	168.7 Å²	168.7	83%	0.832	77%	0.766	S	S	*	*			trans	69.4	146.4	171	-65	0	0	0	0	117
39	S	30.8	Very low	27.3	Very low	106 Å²	106	166.2 Å²	166.2	74%	0.741	76%	0.762	S	S	*	*			cis	-140.9	124.1	-0.9	47.9	0	0	0	0	109.3
40	D	28.5	Very low	27.1	Very low	125 Å²	125	160.4 Å²	160.4	67%	0.668	75%	0.752	S	S	*	*				58.1	104.1	97.9	-170	38.1	0	0	0	115.2
41	R	29.5	Very low	27	Very low	206 Å²	206	162 Å²	162	78%	0.777	76%	0.759	S	S	*	*				175.1	115.9	105.7	-90.5	-178.2	-173.3	-174.2	-0.4	115.1
42	T	29.7	Very low	26.9	Very low	118 Å²	118	161 Å²	161	72%	0.724	76%	0.762	S	S	*	*			trans	61.8	153.1	143.9	61.1	0	0	0	0	119.9
43	R	29.1	Very low	26.8	Very low	213 Å²	213	162.5 Å²	162.5	80%	0.804	77%	0.767	S	S	*	*			cis	-155	143.6	8.9	-128.6	156.6	-166.5	-177.1	4.1	109.8
44	R	28.3	Very low	26.7	Very low	231 Å²	231	162.5 Å²	162.5	87%	0.872	77%	0.767	S	S	*	*			trans	29.8	147.1	150	-65.1	178.6	177.3	178.9	-2.5	121
45	R	27.3	Very low	26.7	Very low	227 Å²	227	163.3 Å²	163.3	86%	0.857	77%	0.773	S	S	*	*			cis	155.2	115.8	-17.2	-114.9	-166.3	179.7	-169.1	1.8	106.8
46	R	27.3	Very low	26.7	Very low	243 Å²	243	164.2 Å²	164.2	92%	0.917	78%	0.776	S	S	*	*			trans	168.9	125.7	150.1	-99.2	170.4	177.3	176.2	-1.7	106.5
47	R	26.2	Very low	26.6	Very low	191 Å²	191	164.1 Å²	164.1	72%	0.721	78%	0.775	S	S	*	*			cis	62.1	132.2	24.5	-67.9	-174.7	153.1	-126.8	-1	113.6
48	E	26.7	Very low	26.8	Very low	124 Å²	124	164.4 Å²	164.4	58%	0.579	78%	0.777	S	S	*	*			cis	-170	162.8	1.3	-115	155.1	179.9	0	0	108.2
49	D	24.8	Very low	26.8	Very low	140 Å²	140	168.8 Å²	168.8	75%	0.749	78%	0.777	S	S	*	*			cis	-159.6	177	-5.6	-158.3	4.5	0	0	0	111
50	S	24.5	Very low	26.6	Very low	75 Å²	75	171.3 Å²	171.3	52%	0.524	78%	0.782	S	S	.	*			trans	73.1	148.4	158.3	-146.1	0	0	0	0	117
51	Y	25.7	Very low	26.6	Very low	211 Å²	211	171.3 Å²	171.3	83%	0.827	78%	0.783	S	S	*	*			cis	-141.5	154.4	28.7	-81.9	-92.5	0	0	0	114.9
52	H	24.1	Very low	26.7	Very low	177 Å²	177	172.3 Å²	172.3	82%	0.819	79%	0.786	S	S	*	*			trans	-86	128.9	164.7	-98.5	-33.5	0	0	0	111.7
53	V	26	Very low	26.9	Very low	129 Å²	129	169.2 Å²	169.2	78%	0.782	77%	0.77	S	S	*	*			trans	-123.4	125.6	154.4	179.1	0	0	0	0	108.4
54	R	23.3	Very low	26.9	Very low	234 Å²	234	163 Å²	163	88%	0.883	76%	0.759	S	S	*	*			trans	-100.7	111	171.5	-76.2	179.3	173.3	173	-1.9	109.2
55	S	26	Very low	27.4	Very low	111 Å²	111	156.1 Å²	156.1	78%	0.776	74%	0.739	S	S	*	*			trans	-116.5	117.7	161.4	-68.4	0	0	0	0	109.3
56	R	25.1	Very low	28.1	Very low	257 Å²	257	152.7 Å²	152.7	97%	0.97	73%	0.726	S	S	*	*			trans	-80.8	125.5	166.6	-79.4	172.7	161.4	163.8	-9.4	108
57	S	24.2	Very low	28.6	Very low	105 Å²	105	150.5 Å²	150.5	73%	0.734	72%	0.718	S	S	*	*			trans	-132.6	141.5	155.6	-170.3	0	0	0	0	107.7
58	S	29.8	Very low	29	Very low	110 Å²	110	144.2 Å²	144.2	77%	0.769	70%	0.701	S	S	*	*			trans	-119.4	102.8	-168.8	-178.8	0	0	0	0	110
59	Y	26.9	Very low	29.7	Very low	211 Å²	211	141 Å²	141	83%	0.827	68%	0.684	S	S	*	*			trans	-137.4	137.9	167.3	-72.3	-75.3	0	0	0	109
60	D	26.4	Very low	30.6	Very low	159 Å²	159	138 Å²	138	85%	0.85	67%	0.668	S	S	*	*			trans	-67.5	128.7	-166.7	-80.6	-62.8	0	0	0	114	R62	D60-R62 PolarHBondContact O-N 2.93Å
61	D	27.4	Very low	31.3	Very low	126 Å²	126	144.7 Å²	144.7	67%	0.674	68%	0.682	S	S	*	*			trans	-80.1	104.1	178.8	-176.8	10.9	0	0	0	111.9	S63	D61-S63 WeakPolarHBondContact OD1-CA 3.25Å; D61-S63 WeakPolarHBondContact OD1-CB 3.14Å; D61-S63 PolarHBondContact OD1-N 3.45Å
62	R	31.7	Very low	32.2	Very low	227 Å²	227	141.1 Å²	141.1	86%	0.857	67%	0.667	S	S	*	*			trans	-99.3	19	168.5	-68.5	-171.8	175.5	-178.9	1.1	113.7	D60	D60-R62 PolarHBondContact O-N 2.93Å
63	S	34.6	Very low	33	Very low	53 Å²	53	134.3 Å²	134.3	37%	0.371	63%	0.634	S	S	.	*			trans	-82.5	-11.5	-176.9	-158.7	0	0	0	0	114.2	D61 D65 R66	D61-S63 WeakPolarHBondContact OD1-CA 3.25Å; D61-S63 WeakPolarHBondContact OD1-CB 3.14Å; D61-S63 PolarHBondContact OD1-N 3.45Å; S63-D65 VanDerWaalsContact C-N 3.34Å; S63-D65 PolarHBondContact O-N 3.21Å; S63-R66 PolarHBondContact O-N 2.85Å
64	S	29.5	Very low	33.9	Very low	83 Å²	83	130 Å²	130	58%	0.58	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	-39.1	-178.1	52.5	0	0	0	0	113.9	R66	S64-R66 PolarHBondContact O-N 3.04Å
65	D	38.2	Very low	34.5	Very low	86 Å²	86	120.3 Å²	120.3	46%	0.46	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.8	-38	179.7	-128.5	42.2	0	0	0	112	S63 R67 V68 K436	S63-D65 VanDerWaalsContact C-N 3.34Å; S63-D65 PolarHBondContact O-N 3.21Å; D65-R67 VanDerWaalsContact C-N 3.35Å; D65-R67 PolarHBondContact O-N 2.54Å; D65-V68 WeakPolarHBondContact O-CB 3.48Å; D65-V68 PolarHBondContact O-N 3.37Å; D65-K436 IonicContact OD2-NZ 2.63Å; D65-K436 PolarHBondContact OD2-NZ 2.96Å
66	R	41.9	Very low	35.2	Very low	154 Å²	154	117.3 Å²	117.3	58%	0.581	56%	0.561	S	S	*	*	H	α-helix	trans	-62.2	-38.3	-173.9	-71.2	-175.8	173.4	-177.9	-2.1	112.7	S63 S64 V68 Y69 D70	S63-R66 PolarHBondContact O-N 2.85Å; S64-R66 PolarHBondContact O-N 3.04Å; R66-V68 PolarHBondContact O-N 3.21Å; R66-Y69 PolarHBondContact O-N 2.87Å; R66-D70 PolarHBondContact O-N 3.35Å
67	R	36.8	Very low	36	Very low	197 Å²	197	107.7 Å²	107.7	74%	0.743	53%	0.525	S	S	*	.	H	α-helix	trans	-67.2	-19.3	178.2	-64.9	-175.3	-177	166.9	5.6	113.6	D65	D65-R67 VanDerWaalsContact C-N 3.35Å; D65-R67 PolarHBondContact O-N 2.54Å
68	V	36.2	Very low	36.5	Very low	60 Å²	60	110.9 Å²	110.9	36%	0.364	52%	0.521	S	S	.	.	H	α-helix	trans	-80.7	-43.2	179.3	-176.5	0	0	0	0	110.6	D65 R66 R72	D65-V68 WeakPolarHBondContact O-CB 3.48Å; D65-V68 PolarHBondContact O-N 3.37Å; R66-V68 PolarHBondContact O-N 3.21Å; V68-R72 HydrophobicContact CG1-CG 4.36Å; V68-R72 VanDerWaalsContact CG1-NE 3.33Å; V68-R72 VanDerWaalsContact O-CB 3.28Å; V68-R72 WeakPolarHBondContact O-CB 2.9Å; V68-R72 VanDerWaalsContact O-CG 3.23Å; V68-R72 WeakPolarHBondContact O-CG 2.91Å; V68-R72 PolarHBondContact O-N 2.92Å
69	Y	40.4	Very low	36.7	Very low	56 Å²	56	115.3 Å²	115.3	22%	0.22	52%	0.521	C	S	.	.	H	α-helix	trans	-62.9	-55.8	176.3	-81.2	-98.6	0	0	0	111.6	R66 R71 R72 Y73 N434 K436	R66-Y69 PolarHBondContact O-N 2.87Å; Y69-R71 VanDerWaalsContact C-N 3.29Å; Y69-R71 PolarHBondContact O-N 3.49Å; Y69-R72 PolarHBondContact O-N 2.72Å; Y69-Y73 WeakPolarHBondContact O-CB 3.4Å; Y69-Y73 PolarHBondContact O-N 3.49Å; Y69-N434 PolarHBondContact OH-O 3.31Å; Y69-N434 VanDerWaalsContact OH-O 3.14Å; Y69-K436 VanDerWaalsContact OH-CE 3.25Å; Y69-K436 WeakPolarHBondContact OH-CE 3.16Å; Y69-K436 PolarHBondContact OH-NZ 2.99Å; Y69-K436 VanDerWaalsContact OH-NZ 3.09Å
70	D	43.4	Very low	37.2	Very low	78 Å²	78	110.1 Å²	110.1	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-51	-45	-177.5	-170.2	25.7	0	0	0	112.6	R66 C74 R313	R66-D70 PolarHBondContact O-N 3.35Å; D70-C74 PolarHBondContact O-N 3.12Å; D70-C74 PolarHBondContact O-SG 3.19Å; D70-C74 VanDerWaalsContact O-SG 3.35Å; D70-R313 IonicContact OD1-CZ 2.08Å; D70-R313 IonicContact OD1-NH2 3.48Å; D70-R313 PolarHBondContact OD1-NH2 3.21Å; D70-R313 IonicContact OD2-NH2 3.82Å; D70-R313 PolarHBondContact OD2-NH2 3.08Å
71	R	40.6	Very low	37.7	Very low	214 Å²	214	107.1 Å²	107.1	81%	0.808	49%	0.492	S	S	*	.	H	α-helix	trans	-78.9	-30.4	179.1	-171	176.4	-74.8	-172.4	-4.8	113.9	Y69 G75	Y69-R71 VanDerWaalsContact C-N 3.29Å; Y69-R71 PolarHBondContact O-N 3.49Å; R71-G75 PolarHBondContact O-N 2.87Å
72	R	42.8	Very low	37.7	Very low	137 Å²	137	111 Å²	111	52%	0.517	50%	0.498	S	S	.	.	H	α-helix	trans	-74.5	-40.1	175.5	-77.1	-178.7	-174.6	-168.5	3.1	111.7	V68 Y69 G75 S76 E433	V68-R72 HydrophobicContact CG1-CG 4.36Å; V68-R72 VanDerWaalsContact CG1-NE 3.33Å; V68-R72 VanDerWaalsContact O-CB 3.28Å; V68-R72 WeakPolarHBondContact O-CB 2.9Å; V68-R72 VanDerWaalsContact O-CG 3.23Å; V68-R72 WeakPolarHBondContact O-CG 2.91Å; V68-R72 PolarHBondContact O-N 2.92Å; Y69-R72 PolarHBondContact O-N 2.72Å; R72-G75 CarbonylContact O-C 3.48Å; R72-G75 VanDerWaalsContact O-CA 3.3Å; R72-G75 WeakPolarHBondContact O-CA 3.5Å; R72-G75 PolarHBondContact O-N 2.96Å; R72-S76 PolarHBondContact O-N 2.8Å; R72-E433 IonicContact NH1-OE2 3.94Å
73	Y	42.8	Very low	37.6	Very low	34 Å²	34	104.6 Å²	104.6	13%	0.133	49%	0.488	C	S	.	.	H	α-helix	trans	-67	-47.7	-177.2	-167.3	-114	0	0	0	112.1	Y69 G75 S76 Y77 Y259 G377 F378	Y69-Y73 WeakPolarHBondContact O-CB 3.4Å; Y69-Y73 PolarHBondContact O-N 3.49Å; Y73-G75 PolarHBondContact O-N 3.33Å; Y73-G75 VanDerWaalsContact O-N 3.13Å; Y73-S76 PolarHBondContact O-N 2.99Å; Y73-S76 PolarHBondContact O-OG 2.76Å; Y73-Y77 HydrophobicContact CD2-CE2 4.28Å; Y73-Y77 HydrophobicContact CE1-CD2 4.45Å; Y73-Y77 HydrophobicContact CE1-CE2 4.08Å; Y73-Y77 HydrophobicContact CE2-CD2 4.27Å; Y73-Y77 AromaticContact CE2-CE2 3.56Å; Y73-Y77 HydrophobicContact CE2-CE2 3.56Å; Y73-Y77 AromaticContact CZ-CE2 3.44Å; Y73-Y77 VanDerWaalsContact CZ-CE2 3.44Å; Y73-Y77 PolarHBondContact O-N 2.9Å; Y73-Y77 WeakPolarHBondContact OH-CE2 3.21Å; Y73-Y77 PolarHBondContact OH-OH 3.34Å; Y73-Y259 HydrophobicContact CD1-CD2 4.28Å; Y73-Y259 HydrophobicContact CD1-CG 4.08Å; Y73-Y259 AromaticContact CE1-CD1 3.71Å; Y73-Y259 HydrophobicContact CE1-CD1 3.71Å; Y73-Y259 HydrophobicContact CE1-CD2 4.06Å; Y73-Y259 HydrophobicContact CE1-CE1 4.3Å; Y73-Y259 AromaticContact CE1-CG 3.57Å; Y73-Y259 HydrophobicContact CE1-CG 3.57Å; Y73-G377 WeakPolarHBondContact CE1-O 3.4Å; Y73-F378 HydrophobicContact CD1-CB 4.29Å; Y73-F378 HydrophobicContact CD2-CB 3.93Å; Y73-F378 HydrophobicContact CE1-CB 3.76Å; Y73-F378 HydrophobicContact CE2-CB 3.36Å; Y73-F378 HydrophobicContact CE2-CG 4.49Å; Y73-F378 HydrophobicContact CG-CB 4.37Å; Y73-F378 WeakPolarHBondContact OH-CA 3.36Å
74	C	43.6	Very low	37.6	Very low	37 Å²	37	111.9 Å²	111.9	25%	0.25	51%	0.508	C	S	.	.	H	α-helix	trans	-56.8	-29	168.2	-66.6	0	0	0	0	112.5	D70 R78	D70-C74 PolarHBondContact O-N 3.12Å; D70-C74 PolarHBondContact O-SG 3.19Å; D70-C74 VanDerWaalsContact O-SG 3.35Å; C74-R78 VanDerWaalsContact O-CB 3.28Å; C74-R78 WeakPolarHBondContact O-CB 3.17Å; C74-R78 WeakPolarHBondContact O-CG 3.33Å; C74-R78 PolarHBondContact O-N 3Å
75	G	35.3	Very low	37.7	Very low	32 Å²	32	115.3 Å²	115.3	33%	0.33	52%	0.52	S	S	.	.	H	α-helix	trans	-76.7	-33.4	-179.9	0	0	0	0	0	114.8	R71 R72 Y73 R79	R71-G75 PolarHBondContact O-N 2.87Å; R72-G75 CarbonylContact O-C 3.48Å; R72-G75 VanDerWaalsContact O-CA 3.3Å; R72-G75 WeakPolarHBondContact O-CA 3.5Å; R72-G75 PolarHBondContact O-N 2.96Å; Y73-G75 PolarHBondContact O-N 3.33Å; Y73-G75 VanDerWaalsContact O-N 3.13Å; G75-R79 WeakPolarHBondContact O-CB 3.36Å; G75-R79 PolarHBondContact O-N 2.94Å
76	S	41	Very low	37.1	Very low	47 Å²	47	121.6 Å²	121.6	33%	0.329	54%	0.537	S	S	.	.	H	α-helix	trans	-70.5	-49.6	176.3	49.1	0	0	0	0	111	R72 Y73 R78 R79 N80	R72-S76 PolarHBondContact O-N 2.8Å; Y73-S76 PolarHBondContact O-N 2.99Å; Y73-S76 PolarHBondContact O-OG 2.76Å; S76-R78 PolarHBondContact O-N 3.13Å; S76-R79 PolarHBondContact O-N 2.82Å; S76-R79 VanDerWaalsContact O-N 3.13Å; S76-N80 PolarHBondContact O-N 3.18Å; S76-N80 VanDerWaalsContact O-N 3.09Å; S76-N80 PolarHBondContact O-OD1 3.36Å
77	Y	43.4	Very low	36.9	Very low	55 Å²	55	118.5 Å²	118.5	22%	0.216	55%	0.552	C	S	.	*	H	α-helix	trans	-61.2	-43.3	176.7	-77.9	-95.2	0	0	0	112.1	Y73 R79 N80 D81 F251 Y259	Y73-Y77 HydrophobicContact CD2-CE2 4.28Å; Y73-Y77 HydrophobicContact CE1-CD2 4.45Å; Y73-Y77 HydrophobicContact CE1-CE2 4.08Å; Y73-Y77 HydrophobicContact CE2-CD2 4.27Å; Y73-Y77 AromaticContact CE2-CE2 3.56Å; Y73-Y77 HydrophobicContact CE2-CE2 3.56Å; Y73-Y77 AromaticContact CZ-CE2 3.44Å; Y73-Y77 VanDerWaalsContact CZ-CE2 3.44Å; Y73-Y77 PolarHBondContact O-N 2.9Å; Y73-Y77 WeakPolarHBondContact OH-CE2 3.21Å; Y73-Y77 PolarHBondContact OH-OH 3.34Å; Y77-R79 VanDerWaalsContact C-N 3.31Å; Y77-R79 PolarHBondContact O-N 2.82Å; Y77-N80 PolarHBondContact O-N 3.33Å; Y77-N80 VanDerWaalsContact O-N 3.14Å; Y77-D81 PolarHBondContact O-N 3.12Å; Y77-D81 VanDerWaalsContact O-N 3.11Å; Y77-F251 HydrophobicContact CE1-CZ 4.15Å; Y77-Y259 VanDerWaalsContact CD1-OH 3.3Å; Y77-Y259 WeakPolarHBondContact CD1-OH 3.44Å; Y77-Y259 HydrophobicContact CG-CE2 4.44Å
78	R	33.3	Very low	36.4	Very low	173 Å²	173	114.7 Å²	114.7	65%	0.653	55%	0.547	S	S	*	.	H	α-helix	trans	-67.1	-25.4	175.2	-74.2	179.9	-177.6	-163.5	1.5	114.2	C74 S76 Y82	C74-R78 VanDerWaalsContact O-CB 3.28Å; C74-R78 WeakPolarHBondContact O-CB 3.17Å; C74-R78 WeakPolarHBondContact O-CG 3.33Å; C74-R78 PolarHBondContact O-N 3Å; S76-R78 PolarHBondContact O-N 3.13Å; R78-Y82 WeakPolarHBondContact O-CD2 3.28Å
79	R	34.9	Very low	36	Very low	202 Å²	202	116.1 Å²	116.1	76%	0.762	57%	0.565	S	S	*	*	H	α-helix	trans	-71.4	-37.5	170.8	-103.8	-172	168	-158.3	-4.8	111.6	G75 S76 Y77 Y82	G75-R79 WeakPolarHBondContact O-CB 3.36Å; G75-R79 PolarHBondContact O-N 2.94Å; S76-R79 PolarHBondContact O-N 2.82Å; S76-R79 VanDerWaalsContact O-N 3.13Å; Y77-R79 VanDerWaalsContact C-N 3.31Å; Y77-R79 PolarHBondContact O-N 2.82Å; R79-Y82 PolarHBondContact O-N 2.79Å
80	N	36.4	Very low	35.3	Very low	102 Å²	102	122.4 Å²	122.4	55%	0.545	59%	0.59	S	S	.	*	H	α-helix	trans	-71.4	-31.4	-179.2	-64.8	-1.8	0	0	0	112.3	S76 Y77 Y82 S83	S76-N80 PolarHBondContact O-N 3.18Å; S76-N80 VanDerWaalsContact O-N 3.09Å; S76-N80 PolarHBondContact O-OD1 3.36Å; Y77-N80 PolarHBondContact O-N 3.33Å; Y77-N80 VanDerWaalsContact O-N 3.14Å; N80-Y82 VanDerWaalsContact C-N 3.29Å; N80-Y82 PolarHBondContact O-N 2.84Å; N80-S83 WeakPolarHBondContact O-CB 3.42Å; N80-S83 PolarHBondContact O-N 3.42Å
81	D	37.8	Very low	34.8	Very low	96 Å²	96	127.2 Å²	127.2	51%	0.513	60%	0.603	S	S	.	*	H	α-helix	trans	-63	-30.1	175.6	-102.7	-17.5	0	0	0	113.5	Y77 S83 R84	Y77-D81 PolarHBondContact O-N 3.12Å; Y77-D81 VanDerWaalsContact O-N 3.11Å; D81-S83 PolarHBondContact O-N 2.84Å; D81-S83 VanDerWaalsContact O-N 3.17Å; D81-R84 VanDerWaalsContact O-CB 3.28Å; D81-R84 WeakPolarHBondContact O-CB 3.31Å; D81-R84 PolarHBondContact O-N 2.76Å; D81-R84 IonicContact OD1-NH1 3.4Å
82	Y	27.8	Very low	34.1	Very low	209 Å²	209	123.3 Å²	123.3	82%	0.82	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-8.4	174.3	-74.6	-72.2	0	0	0	114	R78 R79 N80	R78-Y82 WeakPolarHBondContact O-CD2 3.28Å; R79-Y82 PolarHBondContact O-N 2.79Å; N80-Y82 VanDerWaalsContact C-N 3.29Å; N80-Y82 PolarHBondContact O-N 2.84Å
83	S	29.5	Very low	33.4	Very low	92 Å²	92	122.7 Å²	122.7	64%	0.643	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	5.8	171	-61.1	0	0	0	0	113	N80 D81	N80-S83 WeakPolarHBondContact O-CB 3.42Å; N80-S83 PolarHBondContact O-N 3.42Å; D81-S83 PolarHBondContact O-N 2.84Å; D81-S83 VanDerWaalsContact O-N 3.17Å
84	R	33.5	Very low	32.6	Very low	205 Å²	205	128.2 Å²	128.2	77%	0.774	64%	0.642	S	S	*	*	S	Bend	trans	-92	-6.5	-177.5	-141.5	171.3	-171.2	163.9	1.1	114.7	D81	D81-R84 VanDerWaalsContact O-CB 3.28Å; D81-R84 WeakPolarHBondContact O-CB 3.31Å; D81-R84 PolarHBondContact O-N 2.76Å; D81-R84 IonicContact OD1-NH1 3.4Å
85	D	31.2	Very low	31.9	Very low	156 Å²	156	136.2 Å²	136.2	83%	0.834	67%	0.668	S	S	*	*	S	Bend	trans	-103.7	12.6	178.3	-161.1	34.9	0	0	0	113.1
86	R	27.2	Very low	31.4	Very low	218 Å²	218	145.8 Å²	145.8	82%	0.823	70%	0.695	S	S	*	*	S	Bend	trans	-140.8	124.5	159.4	-72.1	-167.4	177.2	-169.8	-1.8	108.7	D88	R86-D88 PolarHBondContact O-N 3.35Å; R86-D88 VanDerWaalsContact O-N 3.16Å
87	G	36.8	Very low	30.9	Very low	88 Å²	88	149.4 Å²	149.4	91%	0.907	71%	0.706	S	S	*	*			trans	-68.9	109.7	178.5	0	0	0	0	0	111.3
88	D	26.5	Very low	30	Very low	118 Å²	118	151.7 Å²	151.7	63%	0.631	73%	0.73	S	S	*	*			trans	-149.2	65.9	166.5	-134.2	-9.1	0	0	0	109.8	R86 Y90	R86-D88 PolarHBondContact O-N 3.35Å; R86-D88 VanDerWaalsContact O-N 3.16Å; D88-Y90 VanDerWaalsContact C-N 3.32Å; D88-Y90 HydrophobicContact CB-CD2 4.31Å; D88-Y90 HydrophobicContact CB-CE2 4.07Å; D88-Y90 PolarHBondContact O-N 2.93Å; D88-Y90 WeakPolarHBondContact OD1-CE2 3.11Å; D88-Y90 WeakPolarHBondContact OD2-CE2 3.45Å
89	A	28.4	Very low	29.8	Very low	90 Å²	90	151.6 Å²	151.6	74%	0.744	73%	0.731	S	S	*	*			trans	-78.7	80.5	176.1	0	0	0	0	0	109.9	Y91	A89-Y91 PolarHBondContact O-N 3.19Å
90	Y	25.6	Very low	29.3	Very low	188 Å²	188	151 Å²	151	74%	0.737	74%	0.736	S	S	*	*			trans	-58.3	95.1	178	-84.8	-98.8	0	0	0	112	D88	D88-Y90 VanDerWaalsContact C-N 3.32Å; D88-Y90 HydrophobicContact CB-CD2 4.31Å; D88-Y90 HydrophobicContact CB-CE2 4.07Å; D88-Y90 PolarHBondContact O-N 2.93Å; D88-Y90 WeakPolarHBondContact OD1-CE2 3.11Å; D88-Y90 WeakPolarHBondContact OD2-CE2 3.45Å
91	Y	32	Very low	29	Very low	179 Å²	179	156 Å²	156	70%	0.702	75%	0.749	S	S	*	*			trans	-73.4	126.1	149.5	-83.7	-94.2	0	0	0	108	A89	A89-Y91 PolarHBondContact O-N 3.19Å
92	D	27.2	Very low	28.4	Very low	132 Å²	132	160.4 Å²	160.4	71%	0.706	77%	0.767	S	S	*	*			trans	-62.5	138.9	-178.1	-161.8	-3	0	0	0	111.3	D94	D92-D94 VanDerWaalsContact C-N 3.26Å; D92-D94 PolarHBondContact O-N 2.86Å
93	T	26.2	Very low	28.4	Very low	124 Å²	124	161.9 Å²	161.9	76%	0.761	77%	0.771	S	S	*	*	S	Bend	trans	-81.2	-1.6	-156.4	-31.5	0	0	0	0	114.2	Y95	T93-Y95 PolarHBondContact O-N 3.09Å
94	D	26.5	Very low	28.3	Very low	150 Å²	150	166.8 Å²	166.8	80%	0.802	78%	0.784	S	S	*	*			trans	-82.1	19.7	-176.2	-94.7	-13.8	0	0	0	114.6	D92 R96	D92-D94 VanDerWaalsContact C-N 3.26Å; D92-D94 PolarHBondContact O-N 2.86Å; D94-R96 PolarHBondContact O-N 3.04Å
95	Y	30.4	Very low	27.9	Very low	205 Å²	205	164 Å²	164	80%	0.804	78%	0.784	S	S	*	*			trans	-76.4	49.6	-179.4	-129.1	-84.5	0	0	0	114.4	T93 H97	T93-Y95 PolarHBondContact O-N 3.09Å; Y95-H97 PolarHBondContact O-N 3.44Å
96	R	24.2	Very low	27.7	Very low	233 Å²	233	161.6 Å²	161.6	88%	0.879	78%	0.779	S	S	*	*			trans	-84.8	80.1	173.6	-79	-173.2	168.9	-173.8	-2.1	111.8	D94 S98	D94-R96 PolarHBondContact O-N 3.04Å; R96-S98 PolarHBondContact O-N 2.92Å
97	H	30.5	Very low	27.7	Very low	123 Å²	123	155.8 Å²	155.8	57%	0.569	77%	0.772	S	S	*	*			trans	-85.2	98.1	169.5	-140	-66.2	0	0	0	111.5	Y95 Y99	Y95-H97 PolarHBondContact O-N 3.44Å; H97-Y99 AromaticContact CE1-CE1 3.62Å; H97-Y99 AromaticContact CE1-CE2 3.54Å; H97-Y99 AromaticContact CE1-CZ 3.19Å; H97-Y99 PolarHBondContact CE1-OH 2.89Å; H97-Y99 VanDerWaalsContact CE1-OH 3.25Å; H97-Y99 AromaticContact CG-CE2 3.86Å; H97-Y99 AromaticContact ND1-CD2 3.48Å; H97-Y99 WeakPolarHBondContact ND1-CD2 3.31Å; H97-Y99 AromaticContact ND1-CE1 3.81Å; H97-Y99 AromaticContact ND1-CE2 3.11Å; H97-Y99 WeakPolarHBondContact ND1-CE2 3.22Å; H97-Y99 AromaticContact ND1-CG 3.99Å; H97-Y99 AromaticContact ND1-CZ 3.3Å; H97-Y99 VanDerWaalsContact ND1-CZ 3.3Å; H97-Y99 PolarHBondContact O-N 2.83Å
98	S	23.8	Very low	27.2	Very low	102 Å²	102	162 Å²	162	71%	0.713	77%	0.77	S	S	*	*			trans	-82.5	110.3	172.4	50.7	0	0	0	0	110.7	R96	R96-S98 PolarHBondContact O-N 2.92Å
99	Y	30.5	Very low	27.2	Very low	171 Å²	171	167.8 Å²	167.8	67%	0.671	78%	0.783	S	S	*	*			trans	-109.8	87.1	167.2	-75.7	-63.4	0	0	0	109.7	H97 Y101	H97-Y99 AromaticContact CE1-CE1 3.62Å; H97-Y99 AromaticContact CE1-CE2 3.54Å; H97-Y99 AromaticContact CE1-CZ 3.19Å; H97-Y99 PolarHBondContact CE1-OH 2.89Å; H97-Y99 VanDerWaalsContact CE1-OH 3.25Å; H97-Y99 AromaticContact CG-CE2 3.86Å; H97-Y99 AromaticContact ND1-CD2 3.48Å; H97-Y99 WeakPolarHBondContact ND1-CD2 3.31Å; H97-Y99 AromaticContact ND1-CE1 3.81Å; H97-Y99 AromaticContact ND1-CE2 3.11Å; H97-Y99 WeakPolarHBondContact ND1-CE2 3.22Å; H97-Y99 AromaticContact ND1-CG 3.99Å; H97-Y99 AromaticContact ND1-CZ 3.3Å; H97-Y99 VanDerWaalsContact ND1-CZ 3.3Å; H97-Y99 PolarHBondContact O-N 2.83Å; Y99-Y101 PolarHBondContact O-N 2.68Å
100	E	24.4	Very low	27.3	Very low	189 Å²	189	168.3 Å²	168.3	88%	0.883	78%	0.781	S	S	*	*			trans	-75.6	101.3	169.6	-72	-167.5	130.2	0	0	110.2	Q102	E100-Q102 PolarHBondContact O-N 3Å
101	Y	28.4	Very low	27.4	Very low	209 Å²	209	168.6 Å²	168.6	82%	0.82	79%	0.789	S	S	*	*			trans	-80.3	105.9	168.1	-97.8	-87.1	0	0	0	110.3	Y99 R103	Y99-Y101 PolarHBondContact O-N 2.68Å; Y101-R103 PolarHBondContact O-N 3.25Å
102	Q	26.4	Very low	27.2	Very low	187 Å²	187	171.8 Å²	171.8	87%	0.874	80%	0.8	S	S	*	*			trans	-64.7	115.4	165	-71.6	-177	-17.5	0	0	109.4	E100	E100-Q102 PolarHBondContact O-N 3Å
103	R	27.2	Very low	27.3	Very low	241 Å²	241	171.2 Å²	171.2	91%	0.909	81%	0.806	S	S	*	*			trans	-88.5	101.9	170.6	-86	-175.7	166.1	-176.7	-2.8	110	Y101	Y101-R103 PolarHBondContact O-N 3.25Å
104	E	26.6	Very low	27.5	Very low	195 Å²	195	170.5 Å²	170.5	91%	0.911	81%	0.806	S	S	*	*			trans	-73.6	141.6	154.5	-67.2	-156.7	139.3	0	0	110.1
105	N	25.3	Very low	27.8	Very low	147 Å²	147	175.3 Å²	175.3	79%	0.786	81%	0.813	S	S	*	*			trans	-119.9	100.5	-166.1	-178.9	24.4	0	0	0	110.4
106	S	26.8	Very low	27.8	Very low	104 Å²	104	176.5 Å²	176.5	73%	0.727	82%	0.816	S	S	*	*			trans	-112.1	109.2	176	-169.4	0	0	0	0	110.1
107	S	27.3	Very low	28.1	Very low	97 Å²	97	174 Å²	174	68%	0.678	81%	0.812	S	S	*	*			trans	-103.5	110.3	-171.6	54.5	0	0	0	0	112
108	Y	27	Very low	28.1	Very low	218 Å²	218	176.4 Å²	176.4	86%	0.855	82%	0.823	S	S	*	*			trans	-122	141.8	167.8	-72.6	-79.9	0	0	0	111.4
109	R	27.3	Very low	28.4	Very low	240 Å²	240	182.8 Å²	182.8	91%	0.906	83%	0.831	S	S	*	*			trans	-129.9	125.8	-148.3	-174	-174.2	-172.6	-174.7	4.4	111.2
110	S	29	Very low	28.5	Very low	101 Å²	101	186.6 Å²	186.6	71%	0.706	84%	0.844	S	S	*	*			trans	62.5	124.3	157.2	163.5	0	0	0	0	118.2
111	Q	27.6	Very low	28.9	Very low	193 Å²	193	189.6 Å²	189.6	90%	0.902	85%	0.847	S	S	*	*				-148.2	134	113.1	-111.2	174	37	0	0	112.3
112	R	28.1	Very low	29.1	Very low	247 Å²	247	190.6 Å²	190.6	93%	0.932	85%	0.85	S	S	*	*			trans	-85.2	138	167.5	-84	177.6	165.1	173.9	-4.2	109.1
113	S	29.2	Very low	29.3	Very low	120 Å²	120	193.8 Å²	193.8	84%	0.839	85%	0.854	S	S	*	*			trans	-128.7	128.5	159.4	-177.7	0	0	0	0	109.4
114	S	31.3	Very low	29.4	Very low	109 Å²	109	193.7 Å²	193.7	76%	0.762	85%	0.853	S	S	*	*			trans	-119.6	127.7	-176.1	62.9	0	0	0	0	111.1
115	R	31.6	Very low	29.6	Very low	250 Å²	250	189.6 Å²	189.6	94%	0.943	85%	0.847	S	S	*	*			trans	-125.9	146.4	163.9	-76.1	-173	168.4	171.8	-2.8	111.1
116	R	31.3	Very low	29.8	Very low	230 Å²	230	194.2 Å²	194.2	87%	0.868	85%	0.853	S	S	*	*			trans	-119.1	168.6	-170.4	-76.1	172.1	155.8	173.5	-7.5	110.1
117	K	29.8	Very low	30.1	Very low	182 Å²	182	195.3 Å²	195.3	79%	0.791	86%	0.855	S	S	*	*			trans	79.6	149	168.8	-44.4	174.9	-176	175.5	0	112.5
118	H	30.6	Very low	30.2	Very low	173 Å²	173	200.3 Å²	200.3	80%	0.801	87%	0.865	S	S	*	*			cis	-127.6	148.6	19.2	-105.4	-88.4	0	0	0	115.8
119	R	31.5	Very low	30.7	Very low	236 Å²	236	195 Å²	195	89%	0.891	86%	0.86	S	S	*	*			trans	-84	146	157.7	-86.3	175.7	162.1	168.8	-6	109.9
120	R	32.4	Very low	30.9	Very low	251 Å²	251	194.5 Å²	194.5	95%	0.947	86%	0.858	S	S	*	*			trans	-125.9	162	149.2	-86.1	-172.7	167.5	178.7	-3.1	110.2
121	R	32.1	Very low	31	Very low	251 Å²	251	194.8 Å²	194.8	95%	0.947	86%	0.86	S	S	*	*			trans	-103.1	156	-162.7	-91.1	177.7	165.2	167.6	-6.4	113.8
122	R	32.4	Very low	31.6	Very low	230 Å²	230	191.2 Å²	191.2	87%	0.868	86%	0.857	S	S	*	*			trans	-43.8	151.5	170.3	-61.8	169.2	169.4	162.6	-5.9	114.5
123	R	30.4	Very low	31.9	Very low	255 Å²	255	183.9 Å²	183.9	96%	0.962	84%	0.843	S	S	*	*			trans	-119.3	163.2	135.6	-93.7	-174.3	166.2	179.8	-4.2	109.6
124	R	30	Very low	32.3	Very low	238 Å²	238	187.5 Å²	187.5	90%	0.898	85%	0.847	S	S	*	*			trans	-145.1	125	-170.8	-144.2	-173.4	-172.1	-169.5	0.8	109.2
125	S	30.4	Very low	32.6	Very low	110 Å²	110	190 Å²	190	77%	0.769	85%	0.846	S	S	*	*			trans	-155	100.7	170.6	44.5	0	0	0	0	106.6
126	R	30.6	Very low	32.9	Very low	244 Å²	244	183.3 Å²	183.3	92%	0.921	84%	0.838	S	S	*	*				76.5	103.8	96.2	-85.3	-172.3	170.3	164.8	-2.3	112.4
127	T	32.6	Very low	33.4	Very low	126 Å²	126	177.3 Å²	177.3	77%	0.773	83%	0.831	S	S	*	*			trans	-29.4	140.8	167.6	45.6	0	0	0	0	117
128	F	30	Very low	34.3	Very low	203 Å²	203	180.3 Å²	180.3	89%	0.89	84%	0.837	S	S	*	*			trans	-133.1	134.9	142.7	-122.7	-88.5	0	0	0	108.5
129	S	37.3	Very low	35	Very low	107 Å²	107	183.2 Å²	183.2	75%	0.748	84%	0.841	S	S	*	*			trans	-104.8	128.8	178.7	-54.6	0	0	0	0	109.4
130	R	30.7	Very low	36.2	Very low	228 Å²	228	176.3 Å²	176.3	86%	0.86	84%	0.835	S	S	*	*			trans	-156.4	136.6	166.6	-122	173.2	-174.8	-179	-0.2	113.3
131	S	30.5	Very low	37.7	Very low	107 Å²	107	170.5 Å²	170.5	75%	0.748	82%	0.816	S	S	*	*			trans	40	117.7	154.3	53.8	0	0	0	0	119.2	S133	S131-S133 PolarHBondContact O-N 3.18Å
132	S	41.4	Very low	39.8	Very low	119 Å²	119	162.5 Å²	162.5	83%	0.832	80%	0.798	S	S	*	*			trans	-49.1	127.9	161.7	50.2	0	0	0	0	113.8
133	S	33.3	Very low	42.4	Very low	92 Å²	92	153.7 Å²	153.7	64%	0.643	77%	0.77	S	S	*	*			trans	-120.5	119.8	141.1	55.1	0	0	0	0	108.1	S131 H135	S131-S133 PolarHBondContact O-N 3.18Å; S133-H135 PolarHBondContact O-N 3.4Å
134	Q	38.9	Very low	45.4	Very low	196 Å²	196	146.6 Å²	146.6	92%	0.916	75%	0.748	S	S	*	*			trans	-76.7	74.8	168.5	-77.3	-175.2	-16.6	0	0	108.5	S136	Q134-S136 PolarHBondContact O-N 3.17Å
135	H	36.7	Very low	48.5	Very low	163 Å²	163	138.3 Å²	138.3	76%	0.755	72%	0.722	S	S	*	*			trans	-62	108	152.6	-86.9	-77.8	0	0	0	106.8	S133 S137	S133-H135 PolarHBondContact O-N 3.4Å; H135-S137 PolarHBondContact O-N 2.83Å
136	S	38.5	Very low	51.6	Low	109 Å²	109	135.2 Å²	135.2	76%	0.762	70%	0.696	S	S	*	*			trans	-63	90.3	156.1	45.4	0	0	0	0	106.8	Q134 R138	Q134-S136 PolarHBondContact O-N 3.17Å; S136-R138 PolarHBondContact O-N 3.18Å
137	S	42.2	Very low	54.6	Low	103 Å²	103	129.1 Å²	129.1	72%	0.72	70%	0.698	S	S	*	*			trans	-52.7	114.3	157.1	49.7	0	0	0	0	105.4	H135 R139	H135-S137 PolarHBondContact O-N 2.83Å; S137-R139 PolarHBondContact O-N 3.22Å
138	R	47.7	Very low	57.4	Low	245 Å²	245	129.5 Å²	129.5	93%	0.925	69%	0.691	S	S	*	*			trans	-59.5	93.5	164.3	-77.3	-178.3	173.5	-179.6	-3	104.5	S136 A140	S136-R138 PolarHBondContact O-N 3.18Å; R138-A140 PolarHBondContact O-N 3.31Å
139	R	46.5	Very low	60.4	Low	235 Å²	235	120.4 Å²	120.4	89%	0.887	65%	0.654	S	S	*	*			trans	-55.5	110.2	176.1	-168.7	-179.6	-167.2	-178	2.7	103.9	S137 K141	S137-R139 PolarHBondContact O-N 3.22Å; R139-K141 PolarHBondContact O-N 3.25Å; R139-K141 VanDerWaalsContact O-N 3.08Å
140	A	54.9	Low	63.2	Low	91 Å²	91	115.6 Å²	115.6	75%	0.752	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-49.8	125	-174.6	0	0	0	0	0	107.1	R138 S142	R138-A140 PolarHBondContact O-N 3.31Å; A140-S142 PolarHBondContact O-N 3Å
141	K	64.2	Low	66.4	Low	129 Å²	129	105 Å²	105	56%	0.561	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-50.2	131.1	175.4	-73.7	179.1	176.3	177.8	0	106.1	R139 V143 D157	R139-K141 PolarHBondContact O-N 3.25Å; R139-K141 VanDerWaalsContact O-N 3.08Å; K141-V143 PolarHBondContact O-N 3.46Å; K141-D157 IonicContact NZ-OD1 3.73Å; K141-D157 PolarHBondContact NZ-OD1 3.17Å; K141-D157 IonicContact NZ-OD2 3.27Å; K141-D157 PolarHBondContact NZ-OD2 2.9Å
142	S	76.5	Confident	69.5	Low	82 Å²	82	103.7 Å²	103.7	57%	0.573	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-56.1	126.1	167.6	17.7	0	0	0	0	107	A140 E144	A140-S142 PolarHBondContact O-N 3Å; S142-E144 WeakPolarHBondContact CB-OE1 3.42Å; S142-E144 PolarHBondContact O-N 2.91Å; S142-E144 PolarHBondContact OG-OE1 3.42Å
143	V	87.6	Confident	72	Confident	46 Å²	46	99.7 Å²	99.7	28%	0.279	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-70.5	120	168.6	175.6	0	0	0	0	105.5	K141 L151 Y235 H236	K141-V143 PolarHBondContact O-N 3.46Å; V143-L151 HydrophobicContact CG1-CD1 3.56Å; V143-Y235 HydrophobicContact CG1-CE1 4.01Å; V143-Y235 HydrophobicContact CG2-CE1 4.09Å; V143-H236 HydrophobicContact CB-CB 4.48Å; V143-H236 HydrophobicContact CG1-CB 3.78Å
144	E	93.8	Very high	75	Confident	106 Å²	106	100.2 Å²	100.2	50%	0.495	52%	0.523	S	S	.	.			trans	-130.8	140.2	-169.3	-74.2	170.8	-155.9	0	0	109.7	S142 I152	S142-E144 WeakPolarHBondContact CB-OE1 3.42Å; S142-E144 PolarHBondContact O-N 2.91Å; S142-E144 PolarHBondContact OG-OE1 3.42Å; E144-I152 HydrophobicContact CB-CD1 4.3Å; E144-I152 VanDerWaalsContact O-CB 3.31Å; E144-I152 WeakPolarHBondContact O-CB 3.38Å; E144-I152 WeakPolarHBondContact O-CG1 3.28Å; E144-I152 PolarHBondContact O-N 2.65Å
145	D	95.3	Very high	77.7	Confident	64 Å²	64	96 Å²	96	34%	0.342	51%	0.511	S	S	.	.	B	Isolated β-bridge	trans	-102.7	143.9	-178.8	-59.6	27.6	0	0	0	108.7	H150 N197 H238	D145-H150 CarbonylContact C-O 3.42Å; D145-H150 VanDerWaalsContact CA-O 3.28Å; D145-H150 WeakPolarHBondContact CA-O 3.45Å; D145-N197 VanDerWaalsContact OD2-CB 3.25Å; D145-N197 WeakPolarHBondContact OD2-CB 3.34Å; D145-N197 PolarHBondContact OD2-ND2 2.83Å; D145-H238 IonicContact OD1-NE2 3.61Å; D145-H238 IonicContact OD2-CE1 3.6Å; D145-H238 IonicContact OD2-NE2 3.41Å
146	D	93.9	Very high	80.5	Confident	44 Å²	44	90.1 Å²	90.1	24%	0.235	49%	0.494	C	S	.	.			trans	-75.4	172.5	170.5	70.7	26.4	0	0	0	112.1	E148 G149 H150 I152 R176	D146-E148 PolarHBondContact O-N 2.82Å; D146-E148 PolarHBondContact OD1-N 2.93Å; D146-E148 VanDerWaalsContact OD1-N 3.09Å; D146-G149 PolarHBondContact O-N 3.29Å; D146-G149 PolarHBondContact OD1-N 2.91Å; D146-H150 PolarHBondContact N-O 2.97Å; D146-H150 IonicContact OD1-CD2 2.84Å; D146-H150 PolarHBondContact OD1-N 3.13Å; D146-H150 WeakPolarHBondContact OD2-CB 3.27Å; D146-H150 IonicContact OD2-CD2 3Å; D146-H150 PolarHBondContact OD2-CD2 3.02Å; D146-H150 IonicContact OD2-CG 2.65Å; D146-I152 HydrophobicContact CB-CD1 4.26Å; D146-I152 HydrophobicContact CB-CG1 4.07Å; D146-R176 IonicContact OD2-CZ 3.13Å; D146-R176 IonicContact OD2-NH1 2.71Å; D146-R176 PolarHBondContact OD2-NH1 3.41Å; D146-R176 IonicContact OD2-NH2 2.82Å; D146-R176 PolarHBondContact OD2-NH2 3.43Å
147	A	93.6	Very high	83.2	Confident	117 Å²	117	86.6 Å²	86.6	97%	0.967	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.7	-176.1	0	0	0	0	0	114.3
148	E	92	Very high	85.7	Confident	134 Å²	134	86.9 Å²	86.9	63%	0.626	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-0.4	172.8	-58.4	-168.9	-161	0	0	113.2	D146 K196	D146-E148 PolarHBondContact O-N 2.82Å; D146-E148 PolarHBondContact OD1-N 2.93Å; D146-E148 VanDerWaalsContact OD1-N 3.09Å; E148-K196 HydrophobicContact CB-CD 4.44Å; E148-K196 WeakPolarHBondContact O-CD 3.23Å; E148-K196 IonicContact OE2-NZ 2.62Å; E148-K196 PolarHBondContact OE2-NZ 3.4Å
149	G	93.9	Very high	88	Confident	11 Å²	11	75.4 Å²	75.4	11%	0.113	41%	0.409	C	S	.	.	S	Bend	trans	81.2	22.8	-179	0	0	0	0	0	114.6	D146 K196 N197 H238	D146-G149 PolarHBondContact O-N 3.29Å; D146-G149 PolarHBondContact OD1-N 2.91Å; G149-K196 CarbonylContact O-C 3.58Å; G149-K196 WeakPolarHBondContact O-CA 3.14Å; G149-K196 WeakPolarHBondContact O-CB 3.47Å; G149-N197 PolarHBondContact O-N 3.16Å; G149-H238 PolarHBondContact O-CE1 3.27Å
150	H	95.9	Very high	90.2	Very high	7 Å²	7	68.1 Å²	68.1	3%	0.032	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-81.1	151	163.6	-59.9	-105.3	0	0	0	110.9	D145 D146 I152 E171 R176 K196	D145-H150 CarbonylContact C-O 3.42Å; D145-H150 VanDerWaalsContact CA-O 3.28Å; D145-H150 WeakPolarHBondContact CA-O 3.45Å; D146-H150 PolarHBondContact N-O 2.97Å; D146-H150 IonicContact OD1-CD2 2.84Å; D146-H150 PolarHBondContact OD1-N 3.13Å; D146-H150 WeakPolarHBondContact OD2-CB 3.27Å; D146-H150 IonicContact OD2-CD2 3Å; D146-H150 PolarHBondContact OD2-CD2 3.02Å; D146-H150 IonicContact OD2-CG 2.65Å; H150-I152 PolarHBondContact O-N 2.78Å; H150-E171 IonicContact CE1-OE1 2.68Å; H150-E171 PolarHBondContact CE1-OE1 2.89Å; H150-E171 IonicContact NE2-OE1 2.89Å; H150-R176 PolarHBondContact CD2-NH2 2.62Å; H150-R176 VanDerWaalsContact CD2-NH2 3.35Å; H150-K196 PolarHBondContact CD2-NZ 2.82Å; H150-K196 VanDerWaalsContact CD2-NZ 3.31Å; H150-K196 VanDerWaalsContact CE1-CE 3.47Å; H150-K196 WeakPolarHBondContact CE1-CE 3.34Å; H150-K196 WeakPolarHBondContact NE2-CE 3.46Å; H150-K196 PolarHBondContact NE2-NZ 3.49Å
151	L	96.3	Very high	92	Very high	6 Å²	6	72.1 Å²	72.1	3%	0.031	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-60.7	130.5	166.6	-179.8	61.6	0	0	0	110.6	V143 Y153 L159 R176 I194 Y235 H238	V143-L151 HydrophobicContact CG1-CD1 3.56Å; L151-Y153 HydrophobicContact CG-CD1 4.36Å; L151-Y153 WeakPolarHBondContact O-CD1 3.38Å; L151-L159 HydrophobicContact CD2-CD1 4.47Å; L151-L159 HydrophobicContact CD2-CD2 4.16Å; L151-R176 PolarHBondContact O-NH1 2.84Å; L151-I194 HydrophobicContact CB-CG2 4.06Å; L151-I194 HydrophobicContact CD2-CD1 4.32Å; L151-I194 HydrophobicContact CD2-CG2 4.11Å; L151-Y235 HydrophobicContact CD1-CE1 4.28Å; L151-Y235 HydrophobicContact CD2-CD1 4.08Å; L151-Y235 HydrophobicContact CD2-CE1 4.1Å; L151-H238 PolarHBondContact N-CE1 2.76Å
152	I	95.9	Very high	93.6	Very high	79 Å²	79	67.2 Å²	67.2	41%	0.405	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-84	118.2	167.5	-58	174.5	0	0	0	108.4	E144 D146 H150	E144-I152 HydrophobicContact CB-CD1 4.3Å; E144-I152 VanDerWaalsContact O-CB 3.31Å; E144-I152 WeakPolarHBondContact O-CB 3.38Å; E144-I152 WeakPolarHBondContact O-CG1 3.28Å; E144-I152 PolarHBondContact O-N 2.65Å; D146-I152 HydrophobicContact CB-CD1 4.26Å; D146-I152 HydrophobicContact CB-CG1 4.07Å; H150-I152 PolarHBondContact O-N 2.78Å
153	Y	95	Very high	94.6	Very high	35 Å²	35	63.3 Å²	63.3	14%	0.137	34%	0.339	C	S	.	.			trans	-141.2	162.7	-179.5	66	-99.5	0	0	0	111.7	L151 I165 T168 R176 V178	L151-Y153 HydrophobicContact CG-CD1 4.36Å; L151-Y153 WeakPolarHBondContact O-CD1 3.38Å; Y153-I165 HydrophobicContact CD1-CD1 4.49Å; Y153-I165 HydrophobicContact CD2-CD1 3.62Å; Y153-I165 HydrophobicContact CD2-CG2 4.05Å; Y153-I165 HydrophobicContact CE2-CD1 4.39Å; Y153-I165 HydrophobicContact CE2-CG2 4.19Å; Y153-I165 HydrophobicContact CG-CD1 3.71Å; Y153-T168 PolarHBondContact OH-OG1 3.31Å; Y153-R176 HydrophobicContact CE1-CB 4.16Å; Y153-R176 HydrophobicContact CE1-CG 4.49Å; Y153-R176 WeakPolarHBondContact OH-CD 3.22Å; Y153-V178 HydrophobicContact CD2-CG1 4.44Å; Y153-V178 HydrophobicContact CE1-CG1 4.06Å; Y153-V178 HydrophobicContact CE2-CG1 3.54Å; Y153-V178 WeakPolarHBondContact OH-CG1 3.49Å
154	H	95.3	Very high	95.1	Very high	103 Å²	103	63.9 Å²	63.9	48%	0.477	34%	0.339	S	S	.	.			trans	-127.3	162.1	175.7	-48.8	73.3	0	0	0	110.4	G156 D157	H154-G156 PolarHBondContact O-N 3.03Å; H154-D157 WeakPolarHBondContact CB-OD2 3.48Å; H154-D157 IonicContact CG-OD2 3.58Å; H154-D157 PolarHBondContact N-OD2 3.35Å; H154-D157 IonicContact ND1-OD2 2.87Å; H154-D157 PolarHBondContact ND1-OD2 2.77Å; H154-D157 WeakPolarHBondContact O-CB 3.39Å; H154-D157 PolarHBondContact O-N 3.45Å; H154-D157 VanDerWaalsContact O-N 3.08Å
155	V	95.9	Very high	95.3	Very high	108 Å²	108	59 Å²	59	66%	0.655	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	130.9	167.2	175.9	0	0	0	0	108.9	V166	V155-V166 WeakPolarHBondContact CG1-O 3.39Å; V155-V166 WeakPolarHBondContact CG2-O 3.44Å
156	G	95.6	Very high	95.4	Very high	39 Å²	39	58 Å²	58	40%	0.402	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	3.2	-172.8	0	0	0	0	0	115.4	H154 I165	H154-G156 PolarHBondContact O-N 3.03Å; G156-I165 PolarHBondContact N-O 3.25Å
157	D	95.6	Very high	95.6	Very high	35 Å²	35	57.7 Å²	57.7	19%	0.187	31%	0.313	C	S	.	.			trans	-79.3	152.5	165.4	-75.6	-31.7	0	0	0	111.1	K141 H154 I165	K141-D157 IonicContact NZ-OD1 3.73Å; K141-D157 PolarHBondContact NZ-OD1 3.17Å; K141-D157 IonicContact NZ-OD2 3.27Å; K141-D157 PolarHBondContact NZ-OD2 2.9Å; H154-D157 WeakPolarHBondContact CB-OD2 3.48Å; H154-D157 IonicContact CG-OD2 3.58Å; H154-D157 PolarHBondContact N-OD2 3.35Å; H154-D157 IonicContact ND1-OD2 2.87Å; H154-D157 PolarHBondContact ND1-OD2 2.77Å; H154-D157 WeakPolarHBondContact O-CB 3.39Å; H154-D157 PolarHBondContact O-N 3.45Å; H154-D157 VanDerWaalsContact O-N 3.08Å; D157-I165 PolarHBondContact O-N 3.45Å
158	W	95.3	Very high	95.7	Very high	109 Å²	109	55.6 Å²	55.6	41%	0.413	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.1	-169.6	-77.9	56.4	0	0	0	112.3	Y163 E164 H183	W158-Y163 WeakPolarHBondContact CA-O 3.42Å; W158-E164 HydrophobicContact CD2-CB 4.14Å; W158-E164 HydrophobicContact CG-CB 4.41Å; W158-E164 HydrophobicContact CZ2-CB 4.04Å; W158-E164 HydrophobicContact CZ2-CG 4.25Å; W158-E164 VanDerWaalsContact NE1-CD 3.29Å; W158-E164 PolarHBondContact NE1-OE1 3.28Å; W158-H183 AromaticContact CH2-CD2 3.28Å; W158-H183 WeakPolarHBondContact CH2-CD2 3.3Å; W158-H183 AromaticContact CH2-CE1 3.74Å; W158-H183 AromaticContact CH2-CG 3.72Å; W158-H183 AromaticContact CH2-NE2 3.3Å; W158-H183 VanDerWaalsContact CH2-NE2 3.3Å; W158-H183 WeakPolarHBondContact CH2-NE2 3.28Å; W158-H183 AromaticContact CZ2-CD2 3.88Å; W158-H183 AromaticContact CZ2-NE2 3.48Å; W158-H183 WeakPolarHBondContact CZ2-NE2 3.34Å; W158-H183 HydrophobicContact CZ3-CB 4.46Å; W158-H183 AromaticContact CZ3-CD2 3.61Å
159	L	95	Very high	95.9	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	142.1	173.8	-81.2	62.7	0	0	0	110.4	L151 E161 R162 Y163 I165 L192 I194 F233 Y235	L151-L159 HydrophobicContact CD2-CD1 4.47Å; L151-L159 HydrophobicContact CD2-CD2 4.16Å; L159-E161 PolarHBondContact O-N 2.85Å; L159-R162 PolarHBondContact O-N 2.97Å; L159-Y163 PolarHBondContact N-O 3.41Å; L159-Y163 PolarHBondContact O-N 2.96Å; L159-I165 HydrophobicContact CD1-CD1 3.79Å; L159-I165 HydrophobicContact CD1-CG1 4.35Å; L159-L192 HydrophobicContact CD2-CD2 3.86Å; L159-I194 HydrophobicContact CD2-CD1 3.89Å; L159-F233 HydrophobicContact CB-CE2 4.48Å; L159-F233 HydrophobicContact CB-CZ 4.49Å; L159-Y235 HydrophobicContact CB-CD2 4.49Å; L159-Y235 HydrophobicContact CB-CE2 4.36Å; L159-Y235 HydrophobicContact CD1-CE1 4.42Å; L159-Y235 HydrophobicContact CD2-CD1 4.26Å; L159-Y235 HydrophobicContact CD2-CE1 4.5Å; L159-Y235 HydrophobicContact CD2-CG 4.48Å; L159-Y235 HydrophobicContact CG-CD1 4.06Å; L159-Y235 HydrophobicContact CG-CD2 4.35Å; L159-Y235 HydrophobicContact CG-CE1 3.88Å; L159-Y235 HydrophobicContact CG-CE2 4.19Å; L159-Y235 HydrophobicContact CG-CG 4.28Å
160	Q	92.8	Very high	95.8	Very high	82 Å²	82	54.4 Å²	54.4	38%	0.383	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	23.5	178.9	-75.3	-76.5	-10.4	0	0	115.4	R162 Y163 R184 F233 D234	Q160-R162 HydrophobicContact CB-CB 4.37Å; Q160-R162 WeakPolarHBondContact O-CB 3.41Å; Q160-R162 PolarHBondContact O-N 2.87Å; Q160-R162 VanDerWaalsContact O-N 3.13Å; Q160-Y163 HydrophobicContact CB-CD2 4.38Å; Q160-R184 PolarHBondContact O-NH2 2.81Å; Q160-F233 HydrophobicContact CB-CE2 4.44Å; Q160-F233 HydrophobicContact CG-CB 4.49Å; Q160-F233 HydrophobicContact CG-CD1 4.28Å; Q160-F233 HydrophobicContact CG-CD2 3.39Å; Q160-F233 HydrophobicContact CG-CE1 4.37Å; Q160-F233 HydrophobicContact CG-CE2 3.47Å; Q160-F233 VanDerWaalsContact CG-CE2 3.47Å; Q160-F233 HydrophobicContact CG-CG 3.81Å; Q160-F233 HydrophobicContact CG-CZ 3.99Å; Q160-D234 PolarHBondContact NE2-O 3.28Å
161	E	93.4	Very high	95.5	Very high	175 Å²	175	59.7 Å²	59.7	82%	0.818	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	33.9	-170.4	-58.7	-174.5	162.7	0	0	112.6	L159	L159-E161 PolarHBondContact O-N 2.85Å
162	R	96.4	Very high	95	Very high	25 Å²	25	61.3 Å²	61.3	9%	0.094	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.5	-43.6	-168.4	171.6	176.7	179.8	-171.4	-9.7	114.2	L159 Q160 D182 H183 R184 D231	L159-R162 PolarHBondContact O-N 2.97Å; Q160-R162 HydrophobicContact CB-CB 4.37Å; Q160-R162 WeakPolarHBondContact O-CB 3.41Å; Q160-R162 PolarHBondContact O-N 2.87Å; Q160-R162 VanDerWaalsContact O-N 3.13Å; R162-D182 WeakPolarHBondContact CG-OD1 3.49Å; R162-D182 IonicContact CZ-OD1 3.45Å; R162-D182 IonicContact CZ-OD2 3.45Å; R162-D182 VanDerWaalsContact NE-CG 3.32Å; R162-D182 IonicContact NE-OD1 3.28Å; R162-D182 PolarHBondContact NE-OD1 3.39Å; R162-D182 IonicContact NE-OD2 3.17Å; R162-D182 PolarHBondContact NE-OD2 2.98Å; R162-D182 IonicContact NH2-OD1 3.58Å; R162-D182 IonicContact NH2-OD2 3.78Å; R162-D182 PolarHBondContact NH2-OD2 3.39Å; R162-H183 PolarHBondContact O-CD2 3.08Å; R162-H183 PolarHBondContact O-N 2.95Å; R162-R184 HydrophobicContact CB-CG 4.47Å; R162-R184 HydrophobicContact CG-CB 4.27Å; R162-R184 HydrophobicContact CG-CG 3.92Å; R162-D231 IonicContact CZ-OD2 2.77Å; R162-D231 IonicContact NH1-OD2 3.11Å; R162-D231 PolarHBondContact NH1-OD2 2.98Å; R162-D231 IonicContact NH2-OD2 2.7Å; R162-D231 PolarHBondContact NH2-OD2 3.15Å
163	Y	98.1	Very high	94.5	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	105.2	-173.4	-64.7	-78	0	0	0	109.6	W158 L159 Q160 C180 V181 D182 V190 L192 D231 F233 S242	W158-Y163 WeakPolarHBondContact CA-O 3.42Å; L159-Y163 PolarHBondContact N-O 3.41Å; L159-Y163 PolarHBondContact O-N 2.96Å; Q160-Y163 HydrophobicContact CB-CD2 4.38Å; Y163-C180 HydrophobicContact CD1-CB 4.23Å; Y163-V181 WeakPolarHBondContact CA-O 3.48Å; Y163-D182 HydrophobicContact CD1-CB 4.1Å; Y163-D182 HydrophobicContact CE1-CB 3.88Å; Y163-V190 HydrophobicContact CD1-CG2 3.9Å; Y163-V190 HydrophobicContact CE1-CG2 3.94Å; Y163-L192 HydrophobicContact CG-CD2 4.46Å; Y163-D231 WeakPolarHBondContact OH-CB 3.29Å; Y163-F233 AromaticContact CD2-CE1 3.74Å; Y163-F233 HydrophobicContact CD2-CE1 3.74Å; Y163-F233 AromaticContact CD2-CZ 3.75Å; Y163-F233 HydrophobicContact CD2-CZ 3.75Å; Y163-F233 HydrophobicContact CE2-CD1 4.17Å; Y163-F233 AromaticContact CE2-CE1 3.32Å; Y163-F233 HydrophobicContact CE2-CE1 3.32Å; Y163-F233 AromaticContact CE2-CZ 3.86Å; Y163-F233 HydrophobicContact CE2-CZ 3.86Å; Y163-S242 WeakPolarHBondContact CE1-OG 3.3Å; Y163-S242 PolarHBondContact OH-OG 2.95Å
164	E	97.9	Very high	94.2	Very high	58 Å²	58	63.5 Å²	63.5	27%	0.271	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.7	176.7	175.8	168.4	-138.3	0	0	109.9	W158 V166 C180 V181 H183	W158-E164 HydrophobicContact CD2-CB 4.14Å; W158-E164 HydrophobicContact CG-CB 4.41Å; W158-E164 HydrophobicContact CZ2-CB 4.04Å; W158-E164 HydrophobicContact CZ2-CG 4.25Å; W158-E164 VanDerWaalsContact NE1-CD 3.29Å; W158-E164 PolarHBondContact NE1-OE1 3.28Å; E164-V166 PolarHBondContact O-N 3.08Å; E164-C180 CarbonylContact O-C 3.57Å; E164-C180 WeakPolarHBondContact O-CA 3.45Å; E164-C180 WeakPolarHBondContact O-CB 3.24Å; E164-V181 HydrophobicContact CB-CB 4.42Å; E164-V181 PolarHBondContact N-O 2.81Å; E164-V181 PolarHBondContact O-N 3.43Å; E164-H183 IonicContact OE2-CE1 2.96Å; E164-H183 PolarHBondContact OE2-CE1 2.86Å; E164-H183 IonicContact OE2-NE2 3.76Å; E164-H183 PolarHBondContact OE2-NE2 2.97Å
165	I	98.1	Very high	94.1	Very high	2 Å²	2	59 Å²	59	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.9	-175.6	-63.9	178.4	0	0	0	110.8	Y153 G156 D157 L159 V178	Y153-I165 HydrophobicContact CD1-CD1 4.49Å; Y153-I165 HydrophobicContact CD2-CD1 3.62Å; Y153-I165 HydrophobicContact CD2-CG2 4.05Å; Y153-I165 HydrophobicContact CE2-CD1 4.39Å; Y153-I165 HydrophobicContact CE2-CG2 4.19Å; Y153-I165 HydrophobicContact CG-CD1 3.71Å; G156-I165 PolarHBondContact N-O 3.25Å; D157-I165 PolarHBondContact O-N 3.45Å; L159-I165 HydrophobicContact CD1-CD1 3.79Å; L159-I165 HydrophobicContact CD1-CG1 4.35Å; I165-V178 HydrophobicContact CD1-CG2 4.48Å; I165-V178 HydrophobicContact CG1-CG2 4.29Å; I165-V178 HydrophobicContact CG2-CB 4.26Å; I165-V178 HydrophobicContact CG2-CG1 4.3Å
166	V	97.9	Very high	94	Very high	45 Å²	45	55.8 Å²	55.8	27%	0.273	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-42.9	-180	-176.1	0	0	0	0	112	V155 E164 Q179 V181	V155-V166 WeakPolarHBondContact CG1-O 3.39Å; V155-V166 WeakPolarHBondContact CG2-O 3.44Å; E164-V166 PolarHBondContact O-N 3.08Å; V166-Q179 HydrophobicContact CB-CB 4.39Å; V166-Q179 HydrophobicContact CB-CG 4.32Å; V166-Q179 WeakPolarHBondContact CB-O 3.47Å; V166-Q179 PolarHBondContact N-O 2.77Å; V166-V181 HydrophobicContact CG2-CG2 3.77Å
167	S	97.6	Very high	94.1	Very high	37 Å²	37	56.1 Å²	56.1	26%	0.259	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	161.7	-178.2	61.7	0	0	0	0	111.6	V178 Q179	S167-V178 CarbonylContact O-C 3.58Å; S167-V178 VanDerWaalsContact O-CA 3.27Å; S167-V178 WeakPolarHBondContact O-CA 3.23Å; S167-V178 WeakPolarHBondContact O-CB 3.4Å; S167-Q179 PolarHBondContact N-O 3.23Å; S167-Q179 PolarHBondContact O-N 3.48Å; S167-Q179 VanDerWaalsContact OG-CB 3.32Å; S167-Q179 WeakPolarHBondContact OG-CB 3.39Å; S167-Q179 PolarHBondContact OG-OE1 3.19Å; S167-Q179 VanDerWaalsContact OG-OE1 3.09Å
168	T	96.8	Very high	94.2	Very high	73 Å²	73	54.5 Å²	54.5	45%	0.448	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.6	165.3	-56.6	0	0	0	0	108.9	Y153	Y153-T168 PolarHBondContact OH-OG1 3.31Å
169	L	94.4	Very high	94.4	Very high	88 Å²	88	50.6 Å²	50.6	46%	0.461	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-32.4	176.6	-65.2	171.9	0	0	0	111.8	V177 Q179 A191 L245	L169-V177 HydrophobicContact CB-CG1 4.29Å; L169-V177 HydrophobicContact CD1-CG1 4.28Å; L169-V177 PolarHBondContact N-O 2.94Å; L169-Q179 HydrophobicContact CD1-CB 4.01Å; L169-Q179 HydrophobicContact CD2-CB 4.08Å; L169-Q179 HydrophobicContact CG-CB 3.96Å; L169-A191 HydrophobicContact CD1-CB 4.02Å; L169-L245 HydrophobicContact CD1-CD1 3.71Å
170	G	91.6	Very high	94.5	Very high	31 Å²	31	50.4 Å²	50.4	32%	0.32	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	165.4	177.4	0	0	0	0	0	113.4	V177	G170-V177 PolarHBondContact N-O 3.32Å; G170-V177 PolarHBondContact O-N 2.83Å
171	E	91.1	Very high	94.8	Very high	118 Å²	118	47.8 Å²	47.8	55%	0.551	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.4	178.6	-179.7	157.7	178.5	0	0	110.2	H150 R176	H150-E171 IonicContact CE1-OE1 2.68Å; H150-E171 PolarHBondContact CE1-OE1 2.89Å; H150-E171 IonicContact NE2-OE1 2.89Å; E171-R176 HydrophobicContact CB-CG 4.1Å; E171-R176 HydrophobicContact CG-CG 3.77Å; E171-R176 IonicContact OE1-CZ 3.03Å; E171-R176 VanDerWaalsContact OE1-CZ 3.28Å; E171-R176 IonicContact OE1-NE 3.83Å; E171-R176 PolarHBondContact OE1-NE 2.9Å; E171-R176 IonicContact OE1-NH2 2.76Å; E171-R176 PolarHBondContact OE1-NH2 3.18Å; E171-R176 IonicContact OE2-CZ 2.77Å; E171-R176 IonicContact OE2-NE 3.5Å; E171-R176 PolarHBondContact OE2-NE 2.71Å; E171-R176 IonicContact OE2-NH2 3.55Å
172	G	85.5	Confident	95	Very high	41 Å²	41	39.4 Å²	39.4	42%	0.423	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	-177.4	-178.8	0	0	0	0	0	113.1	F174 G175	G172-F174 PolarHBondContact O-N 3.05Å; G172-F174 VanDerWaalsContact O-N 3.07Å; G172-G175 PolarHBondContact N-O 3.27Å; G172-G175 PolarHBondContact O-N 3.11Å; G172-G175 VanDerWaalsContact O-N 3.09Å
173	T	85.8	Confident	95	Very high	64 Å²	64	42.1 Å²	42.1	39%	0.393	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.2	-174.5	47.8	0	0	0	0	114.5	K196 Y201	T173-K196 VanDerWaalsContact O-CE 3.23Å; T173-K196 WeakPolarHBondContact O-CE 3.42Å; T173-Y201 WeakPolarHBondContact O-CE2 3.36Å; T173-Y201 PolarHBondContact O-OH 2.81Å
174	F	87.3	Confident	94.9	Very high	96 Å²	96	50.1 Å²	50.1	42%	0.421	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-20.9	-179.1	-58.5	-85.1	0	0	0	114.3	G172 I195 K196 Y201	G172-F174 PolarHBondContact O-N 3.05Å; G172-F174 VanDerWaalsContact O-N 3.07Å; F174-I195 WeakPolarHBondContact O-CA 3.16Å; F174-K196 PolarHBondContact O-N 2.82Å; F174-Y201 AromaticContact CD1-CD1 3.63Å; F174-Y201 HydrophobicContact CD1-CD1 3.63Å; F174-Y201 AromaticContact CD1-CE1 3.98Å; F174-Y201 HydrophobicContact CD1-CE1 3.98Å; F174-Y201 HydrophobicContact CE1-CD1 4.14Å; F174-Y201 HydrophobicContact CE1-CE1 4.29Å
175	G	93.2	Very high	94.6	Very high	9 Å²	9	53 Å²	53	9%	0.093	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155	-160.7	-169.1	0	0	0	0	0	114.4	G172 I194	G172-G175 PolarHBondContact N-O 3.27Å; G172-G175 PolarHBondContact O-N 3.11Å; G172-G175 VanDerWaalsContact O-N 3.09Å; G175-I194 CarbonylContact C-O 3.54Å; G175-I194 VanDerWaalsContact CA-O 3.24Å; G175-I194 WeakPolarHBondContact CA-O 3.46Å
176	R	95.6	Very high	94.4	Very high	39 Å²	39	56.7 Å²	56.7	15%	0.147	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.5	177.1	-71.8	169.2	-175.8	128.7	19.4	109.7	D146 H150 L151 Y153 E171 I194	D146-R176 IonicContact OD2-CZ 3.13Å; D146-R176 IonicContact OD2-NH1 2.71Å; D146-R176 PolarHBondContact OD2-NH1 3.41Å; D146-R176 IonicContact OD2-NH2 2.82Å; D146-R176 PolarHBondContact OD2-NH2 3.43Å; H150-R176 PolarHBondContact CD2-NH2 2.62Å; H150-R176 VanDerWaalsContact CD2-NH2 3.35Å; L151-R176 PolarHBondContact O-NH1 2.84Å; Y153-R176 HydrophobicContact CE1-CB 4.16Å; Y153-R176 HydrophobicContact CE1-CG 4.49Å; Y153-R176 WeakPolarHBondContact OH-CD 3.22Å; E171-R176 HydrophobicContact CB-CG 4.1Å; E171-R176 HydrophobicContact CG-CG 3.77Å; E171-R176 IonicContact OE1-CZ 3.03Å; E171-R176 VanDerWaalsContact OE1-CZ 3.28Å; E171-R176 IonicContact OE1-NE 3.83Å; E171-R176 PolarHBondContact OE1-NE 2.9Å; E171-R176 IonicContact OE1-NH2 2.76Å; E171-R176 PolarHBondContact OE1-NH2 3.18Å; E171-R176 IonicContact OE2-CZ 2.77Å; E171-R176 IonicContact OE2-NE 3.5Å; E171-R176 PolarHBondContact OE2-NE 2.71Å; E171-R176 IonicContact OE2-NH2 3.55Å; R176-I194 PolarHBondContact N-O 3.47Å; R176-I194 PolarHBondContact O-N 2.78Å
177	V	97.1	Very high	94.2	Very high	47 Å²	47	56.2 Å²	56.2	29%	0.285	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.2	170.9	-174.5	0	0	0	0	108	L169 G170 A191 L192 K193	L169-V177 HydrophobicContact CB-CG1 4.29Å; L169-V177 HydrophobicContact CD1-CG1 4.28Å; L169-V177 PolarHBondContact N-O 2.94Å; G170-V177 PolarHBondContact N-O 3.32Å; G170-V177 PolarHBondContact O-N 2.83Å; V177-A191 HydrophobicContact CG1-CB 4.28Å; V177-L192 WeakPolarHBondContact CA-O 3.34Å; V177-K193 HydrophobicContact CG2-CB 4.41Å; V177-K193 HydrophobicContact CG2-CG 4.19Å
178	V	98	Very high	94.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151	179.9	-64.5	0	0	0	0	111.7	Y153 I165 S167 A191 L192 I194	Y153-V178 HydrophobicContact CD2-CG1 4.44Å; Y153-V178 HydrophobicContact CE1-CG1 4.06Å; Y153-V178 HydrophobicContact CE2-CG1 3.54Å; Y153-V178 WeakPolarHBondContact OH-CG1 3.49Å; I165-V178 HydrophobicContact CD1-CG2 4.48Å; I165-V178 HydrophobicContact CG1-CG2 4.29Å; I165-V178 HydrophobicContact CG2-CB 4.26Å; I165-V178 HydrophobicContact CG2-CG1 4.3Å; S167-V178 CarbonylContact O-C 3.58Å; S167-V178 VanDerWaalsContact O-CA 3.27Å; S167-V178 WeakPolarHBondContact O-CA 3.23Å; S167-V178 WeakPolarHBondContact O-CB 3.4Å; V178-A191 CarbonylContact O-C 3.18Å; V178-A191 WeakPolarHBondContact O-CA 3.14Å; V178-L192 HydrophobicContact CG2-CB 3.87Å; V178-L192 HydrophobicContact CG2-CD2 4.3Å; V178-L192 PolarHBondContact N-O 2.92Å; V178-L192 PolarHBondContact O-N 3.07Å; V178-I194 HydrophobicContact CG2-CD1 3.81Å; V178-I194 HydrophobicContact CG2-CG1 4.44Å
179	Q	98.3	Very high	94.2	Very high	28 Å²	28	59.5 Å²	59.5	13%	0.131	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125.1	164.7	-172.4	-178.6	50	0	0	108.1	V166 S167 L169 R189 V190 L245	V166-Q179 HydrophobicContact CB-CB 4.39Å; V166-Q179 HydrophobicContact CB-CG 4.32Å; V166-Q179 WeakPolarHBondContact CB-O 3.47Å; V166-Q179 PolarHBondContact N-O 2.77Å; S167-Q179 PolarHBondContact N-O 3.23Å; S167-Q179 PolarHBondContact O-N 3.48Å; S167-Q179 VanDerWaalsContact OG-CB 3.32Å; S167-Q179 WeakPolarHBondContact OG-CB 3.39Å; S167-Q179 PolarHBondContact OG-OE1 3.19Å; S167-Q179 VanDerWaalsContact OG-OE1 3.09Å; L169-Q179 HydrophobicContact CD1-CB 4.01Å; L169-Q179 HydrophobicContact CD2-CB 4.08Å; L169-Q179 HydrophobicContact CG-CB 3.96Å; Q179-R189 VanDerWaalsContact NE2-NH1 3.18Å; Q179-R189 VanDerWaalsContact OE1-NH1 3.15Å; Q179-V190 WeakPolarHBondContact CA-O 3.46Å; Q179-L245 HydrophobicContact CG-CD1 4.29Å; Q179-L245 HydrophobicContact CG-CD2 4.13Å; Q179-L245 VanDerWaalsContact NE2-CD2 3.27Å
180	C	98.4	Very high	94.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	157.8	173.9	-67.1	0	0	0	0	112	Y163 E164 R189 V190	Y163-C180 HydrophobicContact CD1-CB 4.23Å; E164-C180 CarbonylContact O-C 3.57Å; E164-C180 WeakPolarHBondContact O-CA 3.45Å; E164-C180 WeakPolarHBondContact O-CB 3.24Å; C180-R189 WeakPolarHBondContact O-CA 3.39Å; C180-V190 HydrophobicContact CB-CG2 3.8Å; C180-V190 PolarHBondContact N-O 2.85Å; C180-V190 PolarHBondContact O-N 2.83Å
181	V	98.3	Very high	94.7	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.158	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.1	157.7	176.9	0	0	0	0	107.8	Y163 E164 V166	Y163-V181 WeakPolarHBondContact CA-O 3.48Å; E164-V181 HydrophobicContact CB-CB 4.42Å; E164-V181 PolarHBondContact N-O 2.81Å; E164-V181 PolarHBondContact O-N 3.43Å; V166-V181 HydrophobicContact CG2-CG2 3.77Å
182	D	97.9	Very high	95	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	99.6	170.2	-178.1	-12	0	0	0	109.6	R162 Y163 R184 R185 G187 A188 V190	R162-D182 WeakPolarHBondContact CG-OD1 3.49Å; R162-D182 IonicContact CZ-OD1 3.45Å; R162-D182 IonicContact CZ-OD2 3.45Å; R162-D182 VanDerWaalsContact NE-CG 3.32Å; R162-D182 IonicContact NE-OD1 3.28Å; R162-D182 PolarHBondContact NE-OD1 3.39Å; R162-D182 IonicContact NE-OD2 3.17Å; R162-D182 PolarHBondContact NE-OD2 2.98Å; R162-D182 IonicContact NH2-OD1 3.58Å; R162-D182 IonicContact NH2-OD2 3.78Å; R162-D182 PolarHBondContact NH2-OD2 3.39Å; Y163-D182 HydrophobicContact CD1-CB 4.1Å; Y163-D182 HydrophobicContact CE1-CB 3.88Å; D182-R184 PolarHBondContact O-N 3.09Å; D182-R184 WeakPolarHBondContact OD1-CA 3.33Å; D182-R184 PolarHBondContact OD1-N 3.07Å; D182-R185 HydrophobicContact CB-CB 4.1Å; D182-R185 CarbonylContact O-C 3.48Å; D182-R185 PolarHBondContact O-N 2.95Å; D182-R185 VanDerWaalsContact O-N 3.12Å; D182-R185 PolarHBondContact OD1-N 3.42Å; D182-R185 VanDerWaalsContact OD1-N 3.11Å; D182-R185 WeakPolarHBondContact OD2-CG 3.4Å; D182-G187 WeakPolarHBondContact O-CA 3.41Å; D182-G187 PolarHBondContact O-N 2.95Å; D182-A188 PolarHBondContact N-O 3.03Å; D182-V190 HydrophobicContact CB-CG1 4.04Å; D182-V190 HydrophobicContact CB-CG2 4.3Å
183	H	96.3	Very high	95.6	Very high	81 Å²	81	48.2 Å²	48.2	38%	0.375	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15	-179.2	-73.4	-83.3	0	0	0	113.8	W158 R162 E164	W158-H183 AromaticContact CH2-CD2 3.28Å; W158-H183 WeakPolarHBondContact CH2-CD2 3.3Å; W158-H183 AromaticContact CH2-CE1 3.74Å; W158-H183 AromaticContact CH2-CG 3.72Å; W158-H183 AromaticContact CH2-NE2 3.3Å; W158-H183 VanDerWaalsContact CH2-NE2 3.3Å; W158-H183 WeakPolarHBondContact CH2-NE2 3.28Å; W158-H183 AromaticContact CZ2-CD2 3.88Å; W158-H183 AromaticContact CZ2-NE2 3.48Å; W158-H183 WeakPolarHBondContact CZ2-NE2 3.34Å; W158-H183 HydrophobicContact CZ3-CB 4.46Å; W158-H183 AromaticContact CZ3-CD2 3.61Å; R162-H183 PolarHBondContact O-CD2 3.08Å; R162-H183 PolarHBondContact O-N 2.95Å; E164-H183 IonicContact OE2-CE1 2.96Å; E164-H183 PolarHBondContact OE2-CE1 2.86Å; E164-H183 IonicContact OE2-NE2 3.76Å; E164-H183 PolarHBondContact OE2-NE2 2.97Å
184	R	95.2	Very high	96.2	Very high	169 Å²	169	45.4 Å²	45.4	64%	0.638	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-21.6	171.2	-62.9	-170.9	-161.6	169.4	7.2	112.9	Q160 R162 D182 G186	Q160-R184 PolarHBondContact O-NH2 2.81Å; R162-R184 HydrophobicContact CB-CG 4.47Å; R162-R184 HydrophobicContact CG-CB 4.27Å; R162-R184 HydrophobicContact CG-CG 3.92Å; D182-R184 PolarHBondContact O-N 3.09Å; D182-R184 WeakPolarHBondContact OD1-CA 3.33Å; D182-R184 PolarHBondContact OD1-N 3.07Å; R184-G186 VanDerWaalsContact C-N 3.28Å; R184-G186 PolarHBondContact O-N 2.97Å
185	R	92.6	Very high	96.7	Very high	118 Å²	118	41 Å²	41	45%	0.445	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	40	167.4	-75.2	-176	161.8	-140.7	3.9	112.3	D182 G187 A188 F230	D182-R185 HydrophobicContact CB-CB 4.1Å; D182-R185 CarbonylContact O-C 3.48Å; D182-R185 PolarHBondContact O-N 2.95Å; D182-R185 VanDerWaalsContact O-N 3.12Å; D182-R185 PolarHBondContact OD1-N 3.42Å; D182-R185 VanDerWaalsContact OD1-N 3.11Å; D182-R185 WeakPolarHBondContact OD2-CG 3.4Å; R185-G187 PolarHBondContact O-N 2.89Å; R185-G187 VanDerWaalsContact O-N 3.17Å; R185-A188 HydrophobicContact CB-CB 4.06Å; R185-A188 VanDerWaalsContact O-CB 3.28Å; R185-A188 WeakPolarHBondContact O-CB 3.37Å; R185-A188 PolarHBondContact O-N 3.25Å; R185-F230 VanDerWaalsContact CZ-CG 3.41Å; R185-F230 VanDerWaalsContact NH1-CD1 3.33Å; R185-F230 VanDerWaalsContact NH1-CE1 3.28Å; R185-F230 VanDerWaalsContact NH1-CG 3.31Å
186	G	92.8	Very high	96.8	Very high	81 Å²	81	41.1 Å²	41.1	84%	0.835	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	23.1	173.2	0	0	0	0	0	115.2	R184	R184-G186 VanDerWaalsContact C-N 3.28Å; R184-G186 PolarHBondContact O-N 2.97Å
187	G	93.8	Very high	96.9	Very high	34 Å²	34	41.7 Å²	41.7	35%	0.351	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	13.6	-176.2	0	0	0	0	0	114.5	D182 R185	D182-G187 WeakPolarHBondContact O-CA 3.41Å; D182-G187 PolarHBondContact O-N 2.95Å; R185-G187 PolarHBondContact O-N 2.89Å; R185-G187 VanDerWaalsContact O-N 3.17Å
188	A	96.5	Very high	96.8	Very high	43 Å²	43	42 Å²	42	36%	0.355	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	141.6	172.5	0	0	0	0	0	111.3	D182 R185	D182-A188 PolarHBondContact N-O 3.03Å; R185-A188 HydrophobicContact CB-CB 4.06Å; R185-A188 VanDerWaalsContact O-CB 3.28Å; R185-A188 WeakPolarHBondContact O-CB 3.37Å; R185-A188 PolarHBondContact O-N 3.25Å
189	R	97.8	Very high	96.6	Very high	137 Å²	137	46.1 Å²	46.1	52%	0.517	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	137.5	173.1	-62.4	-166.2	-179.2	-147.9	2.1	110.7	Q179 C180 L245	Q179-R189 VanDerWaalsContact NE2-NH1 3.18Å; Q179-R189 VanDerWaalsContact OE1-NH1 3.15Å; C180-R189 WeakPolarHBondContact O-CA 3.39Å; R189-L245 HydrophobicContact CB-CD2 3.67Å
190	V	98.3	Very high	96.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	159.7	179.4	-63.9	0	0	0	0	110.5	Y163 Q179 C180 D182 F230 F243	Y163-V190 HydrophobicContact CD1-CG2 3.9Å; Y163-V190 HydrophobicContact CE1-CG2 3.94Å; Q179-V190 WeakPolarHBondContact CA-O 3.46Å; C180-V190 HydrophobicContact CB-CG2 3.8Å; C180-V190 PolarHBondContact N-O 2.85Å; C180-V190 PolarHBondContact O-N 2.83Å; D182-V190 HydrophobicContact CB-CG1 4.04Å; D182-V190 HydrophobicContact CB-CG2 4.3Å; V190-F230 HydrophobicContact CG1-CD2 3.8Å; V190-F230 HydrophobicContact CG1-CE2 4.08Å; V190-F243 WeakPolarHBondContact CA-O 3.16Å; V190-F243 WeakPolarHBondContact CB-O 3.38Å
191	A	98.4	Very high	96.2	Very high	13 Å²	13	52.8 Å²	52.8	11%	0.107	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.8	160	0	0	0	0	0	109.1	L169 V177 V178 S242 F243 L245	L169-A191 HydrophobicContact CD1-CB 4.02Å; V177-A191 HydrophobicContact CG1-CB 4.28Å; V178-A191 CarbonylContact O-C 3.18Å; V178-A191 WeakPolarHBondContact O-CA 3.14Å; A191-S242 CarbonylContact O-C 3.51Å; A191-S242 WeakPolarHBondContact O-CA 3.28Å; A191-F243 HydrophobicContact CB-CB 4.42Å; A191-F243 PolarHBondContact N-O 3.31Å; A191-F243 PolarHBondContact O-N 3.25Å; A191-L245 HydrophobicContact CB-CD1 4.29Å
192	L	98.4	Very high	96.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	111.4	179.1	-173.2	72.8	0	0	0	109.2	L159 Y163 V177 V178 I194 F233 C240 I241	L159-L192 HydrophobicContact CD2-CD2 3.86Å; Y163-L192 HydrophobicContact CG-CD2 4.46Å; V177-L192 WeakPolarHBondContact CA-O 3.34Å; V178-L192 HydrophobicContact CG2-CB 3.87Å; V178-L192 HydrophobicContact CG2-CD2 4.3Å; V178-L192 PolarHBondContact N-O 2.92Å; V178-L192 PolarHBondContact O-N 3.07Å; L192-I194 HydrophobicContact CD2-CD1 4.22Å; L192-I194 HydrophobicContact CD2-CG1 4.17Å; L192-I194 HydrophobicContact CG-CG1 4.13Å; L192-F233 HydrophobicContact CD1-CE1 3.9Å; L192-F233 HydrophobicContact CD1-CZ 3.96Å; L192-F233 HydrophobicContact CD2-CZ 4.24Å; L192-C240 HydrophobicContact CD1-CB 4.28Å; L192-I241 CarbonylContact C-O 3.51Å; L192-I241 WeakPolarHBondContact CA-O 3.44Å
193	K	97.9	Very high	95.9	Very high	28 Å²	28	57.7 Å²	57.7	12%	0.122	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	108.6	176.3	-167.5	-177.8	-159.8	-177.7	0	107.8	V177 I195 E208 C240 I241 F243 D327	V177-K193 HydrophobicContact CG2-CB 4.41Å; V177-K193 HydrophobicContact CG2-CG 4.19Å; K193-I195 HydrophobicContact CD-CD1 4.16Å; K193-I195 HydrophobicContact CG-CD1 3.98Å; K193-E208 IonicContact NZ-OE1 2.7Å; K193-E208 PolarHBondContact NZ-OE1 2.76Å; K193-E208 IonicContact NZ-OE2 3.17Å; K193-E208 PolarHBondContact NZ-OE2 3.26Å; K193-C240 WeakPolarHBondContact O-CA 3.38Å; K193-I241 HydrophobicContact CB-CB 4.37Å; K193-I241 PolarHBondContact N-O 3.03Å; K193-I241 PolarHBondContact O-N 3.37Å; K193-F243 HydrophobicContact CB-CE2 3.88Å; K193-F243 HydrophobicContact CD-CE2 4.28Å; K193-D327 IonicContact NZ-OD1 2.63Å; K193-D327 PolarHBondContact NZ-OD1 3.46Å
194	I	98	Very high	95.7	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	107	-179.2	-55.2	175.2	0	0	0	108.1	L151 L159 G175 R176 V178 L192 H238	L151-I194 HydrophobicContact CB-CG2 4.06Å; L151-I194 HydrophobicContact CD2-CD1 4.32Å; L151-I194 HydrophobicContact CD2-CG2 4.11Å; L159-I194 HydrophobicContact CD2-CD1 3.89Å; G175-I194 CarbonylContact C-O 3.54Å; G175-I194 VanDerWaalsContact CA-O 3.24Å; G175-I194 WeakPolarHBondContact CA-O 3.46Å; R176-I194 PolarHBondContact N-O 3.47Å; R176-I194 PolarHBondContact O-N 2.78Å; V178-I194 HydrophobicContact CG2-CD1 3.81Å; V178-I194 HydrophobicContact CG2-CG1 4.44Å; L192-I194 HydrophobicContact CD2-CD1 4.22Å; L192-I194 HydrophobicContact CD2-CG1 4.17Å; L192-I194 HydrophobicContact CG-CG1 4.13Å; I194-H238 HydrophobicContact CG2-CB 4.14Å
195	I	97.9	Very high	95.7	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	144.9	-174.3	-56.9	-67.2	0	0	0	110.7	F174 K193 A205 H238 M239	F174-I195 WeakPolarHBondContact O-CA 3.16Å; K193-I195 HydrophobicContact CD-CD1 4.16Å; K193-I195 HydrophobicContact CG-CD1 3.98Å; I195-A205 HydrophobicContact CD1-CB 4.26Å; I195-A205 HydrophobicContact CG1-CB 3.81Å; I195-A205 HydrophobicContact CG2-CB 4.26Å; I195-H238 PolarHBondContact O-ND1 2.75Å; I195-M239 HydrophobicContact CB-CB 4.13Å; I195-M239 VanDerWaalsContact CB-O 3.28Å; I195-M239 WeakPolarHBondContact CB-O 3.48Å; I195-M239 HydrophobicContact CG1-CB 4.18Å; I195-M239 VanDerWaalsContact CG1-O 3.27Å; I195-M239 WeakPolarHBondContact CG1-O 3.17Å; I195-M239 PolarHBondContact N-O 2.74Å
196	K	96.3	Very high	95.9	Very high	12 Å²	12	46.1 Å²	46.1	5%	0.052	25%	0.253	C	S	.	.			trans	-60.9	146.8	175.7	-53.3	-153.2	-154.9	-152	0	111.4	E148 G149 H150 T173 F174 V198 Y201	E148-K196 HydrophobicContact CB-CD 4.44Å; E148-K196 WeakPolarHBondContact O-CD 3.23Å; E148-K196 IonicContact OE2-NZ 2.62Å; E148-K196 PolarHBondContact OE2-NZ 3.4Å; G149-K196 CarbonylContact O-C 3.58Å; G149-K196 WeakPolarHBondContact O-CA 3.14Å; G149-K196 WeakPolarHBondContact O-CB 3.47Å; H150-K196 PolarHBondContact CD2-NZ 2.82Å; H150-K196 VanDerWaalsContact CD2-NZ 3.31Å; H150-K196 VanDerWaalsContact CE1-CE 3.47Å; H150-K196 WeakPolarHBondContact CE1-CE 3.34Å; H150-K196 WeakPolarHBondContact NE2-CE 3.46Å; H150-K196 PolarHBondContact NE2-NZ 3.49Å; T173-K196 VanDerWaalsContact O-CE 3.23Å; T173-K196 WeakPolarHBondContact O-CE 3.42Å; F174-K196 PolarHBondContact O-N 2.82Å; K196-V198 HydrophobicContact CB-CG2 4.18Å; K196-V198 PolarHBondContact O-N 2.88Å; K196-Y201 HydrophobicContact CB-CD2 4.01Å; K196-Y201 HydrophobicContact CD-CE2 4.39Å; K196-Y201 HydrophobicContact CG-CD2 4.41Å
197	N	96.1	Very high	95.9	Very high	50 Å²	50	47.1 Å²	47.1	27%	0.267	24%	0.238	S	C	.	.	S	Bend	trans	-75.4	49.5	179.2	-162.8	1.2	0	0	0	113	D145 G149 K202 H236 G237	D145-N197 VanDerWaalsContact OD2-CB 3.25Å; D145-N197 WeakPolarHBondContact OD2-CB 3.34Å; D145-N197 PolarHBondContact OD2-ND2 2.83Å; G149-N197 PolarHBondContact O-N 3.16Å; N197-K202 PolarHBondContact OD1-NZ 3.19Å; N197-H236 PolarHBondContact ND2-O 3.41Å; N197-G237 PolarHBondContact OD1-O 2.78Å
198	V	95.9	Very high	96	Very high	54 Å²	54	45.8 Å²	45.8	33%	0.327	22%	0.223	S	C	.	.			trans	-126.5	124.5	-178.2	-169.9	0	0	0	0	108	K196 K200 Y201 K202	K196-V198 HydrophobicContact CB-CG2 4.18Å; K196-V198 PolarHBondContact O-N 2.88Å; V198-K200 VanDerWaalsContact C-N 3.31Å; V198-K200 HydrophobicContact CG1-CG 4.17Å; V198-K200 PolarHBondContact O-N 3.26Å; V198-K200 VanDerWaalsContact O-N 3.12Å; V198-Y201 HydrophobicContact CB-CD2 3.91Å; V198-Y201 HydrophobicContact CB-CE2 4.47Å; V198-Y201 HydrophobicContact CG2-CD2 4.35Å; V198-Y201 PolarHBondContact O-N 3.18Å; V198-K202 PolarHBondContact O-N 3.2Å
199	E	94.3	Very high	96.1	Very high	87 Å²	87	43.9 Å²	43.9	41%	0.407	21%	0.207	S	C	.	.	H	α-helix	trans	-56.1	-41	-162.1	-152	59.5	-129.4	0	0	113.9	Y201 K202 E203 R206	E199-Y201 PolarHBondContact O-N 2.94Å; E199-Y201 VanDerWaalsContact O-N 3.13Å; E199-K202 CarbonylContact O-C 3.57Å; E199-K202 WeakPolarHBondContact O-CA 3.15Å; E199-K202 PolarHBondContact O-N 2.88Å; E199-K202 WeakPolarHBondContact OE2-CE 3.27Å; E199-K202 IonicContact OE2-NZ 2.71Å; E199-K202 PolarHBondContact OE2-NZ 2.71Å; E199-E203 HydrophobicContact CG-CG 4.41Å; E199-E203 WeakPolarHBondContact O-CG 3.21Å; E199-E203 PolarHBondContact O-N 2.63Å; E199-R206 IonicContact OE1-CZ 3.63Å; E199-R206 VanDerWaalsContact OE1-CZ 3.27Å; E199-R206 IonicContact OE1-NH1 3.54Å; E199-R206 PolarHBondContact OE1-NH1 3.31Å; E199-R206 IonicContact OE1-NH2 3.87Å; E199-R206 PolarHBondContact OE1-NH2 2.92Å
200	K	93.6	Very high	96.1	Very high	125 Å²	125	41.7 Å²	41.7	54%	0.543	21%	0.206	S	C	.	.	H	α-helix	trans	-53.7	-34	175.2	68.6	175	-173.9	161.5	0	114.5	V198 A204	V198-K200 VanDerWaalsContact C-N 3.31Å; V198-K200 HydrophobicContact CG1-CG 4.17Å; V198-K200 PolarHBondContact O-N 3.26Å; V198-K200 VanDerWaalsContact O-N 3.12Å; K200-A204 PolarHBondContact O-N 2.61Å
201	Y	94.7	Very high	96	Very high	43 Å²	43	42 Å²	42	17%	0.169	21%	0.207	C	C	.	.	H	α-helix	trans	-84.2	-30.9	179	-62.3	-47	0	0	0	111.1	T173 F174 K196 V198 E199 A205	T173-Y201 WeakPolarHBondContact O-CE2 3.36Å; T173-Y201 PolarHBondContact O-OH 2.81Å; F174-Y201 AromaticContact CD1-CD1 3.63Å; F174-Y201 HydrophobicContact CD1-CD1 3.63Å; F174-Y201 AromaticContact CD1-CE1 3.98Å; F174-Y201 HydrophobicContact CD1-CE1 3.98Å; F174-Y201 HydrophobicContact CE1-CD1 4.14Å; F174-Y201 HydrophobicContact CE1-CE1 4.29Å; K196-Y201 HydrophobicContact CB-CD2 4.01Å; K196-Y201 HydrophobicContact CD-CE2 4.39Å; K196-Y201 HydrophobicContact CG-CD2 4.41Å; V198-Y201 HydrophobicContact CB-CD2 3.91Å; V198-Y201 HydrophobicContact CB-CE2 4.47Å; V198-Y201 HydrophobicContact CG2-CD2 4.35Å; V198-Y201 PolarHBondContact O-N 3.18Å; E199-Y201 PolarHBondContact O-N 2.94Å; E199-Y201 VanDerWaalsContact O-N 3.13Å; Y201-A205 VanDerWaalsContact O-CB 3.31Å; Y201-A205 WeakPolarHBondContact O-CB 3.42Å; Y201-A205 PolarHBondContact O-N 3.48Å
202	K	95.1	Very high	96	Very high	19 Å²	19	41.3 Å²	41.3	8%	0.083	20%	0.202	C	C	.	.	H	α-helix	trans	-72.5	-35.4	175	-58.8	-175.8	-62.5	-177.1	0	111.7	N197 V198 E199 A205 R206 G237 M239	N197-K202 PolarHBondContact OD1-NZ 3.19Å; V198-K202 PolarHBondContact O-N 3.2Å; E199-K202 CarbonylContact O-C 3.57Å; E199-K202 WeakPolarHBondContact O-CA 3.15Å; E199-K202 PolarHBondContact O-N 2.88Å; E199-K202 WeakPolarHBondContact OE2-CE 3.27Å; E199-K202 IonicContact OE2-NZ 2.71Å; E199-K202 PolarHBondContact OE2-NZ 2.71Å; K202-A205 PolarHBondContact O-N 3.45Å; K202-R206 WeakPolarHBondContact O-CD 3.4Å; K202-R206 WeakPolarHBondContact O-CG 3.4Å; K202-R206 PolarHBondContact O-N 3.25Å; K202-G237 WeakPolarHBondContact CD-O 3.48Å; K202-M239 HydrophobicContact CB-CG 3.91Å; K202-M239 HydrophobicContact CG-CG 4.06Å
203	E	93.4	Very high	96	Very high	110 Å²	110	45.6 Å²	45.6	51%	0.514	22%	0.222	S	C	.	.	H	α-helix	trans	-62.8	-49.3	169.5	-71.1	174.6	151.3	0	0	111.3	E199 A205 R206 L207	E199-E203 HydrophobicContact CG-CG 4.41Å; E199-E203 WeakPolarHBondContact O-CG 3.21Å; E199-E203 PolarHBondContact O-N 2.63Å; E203-A205 VanDerWaalsContact C-N 3.33Å; E203-A205 PolarHBondContact O-N 2.89Å; E203-R206 PolarHBondContact O-N 3.41Å; E203-R206 VanDerWaalsContact O-N 3.17Å; E203-L207 PolarHBondContact O-N 2.7Å
204	A	92.5	Very high	95.9	Very high	31 Å²	31	48 Å²	48	26%	0.256	23%	0.232	S	C	.	.	H	α-helix	trans	-58.5	-42.5	174	0	0	0	0	0	112.5	K200 R206 L207 E208	K200-A204 PolarHBondContact O-N 2.61Å; A204-R206 VanDerWaalsContact C-N 3.33Å; A204-R206 PolarHBondContact O-N 2.72Å; A204-L207 WeakPolarHBondContact O-CB 3.4Å; A204-L207 PolarHBondContact O-N 3.37Å; A204-E208 PolarHBondContact O-N 3.11Å
205	A	96	Very high	95.9	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-32.8	176.8	0	0	0	0	0	113.3	I195 Y201 K202 E203 E208 I209 M239	I195-A205 HydrophobicContact CD1-CB 4.26Å; I195-A205 HydrophobicContact CG1-CB 3.81Å; I195-A205 HydrophobicContact CG2-CB 4.26Å; Y201-A205 VanDerWaalsContact O-CB 3.31Å; Y201-A205 WeakPolarHBondContact O-CB 3.42Å; Y201-A205 PolarHBondContact O-N 3.48Å; K202-A205 PolarHBondContact O-N 3.45Å; E203-A205 VanDerWaalsContact C-N 3.33Å; E203-A205 PolarHBondContact O-N 2.89Å; A205-E208 PolarHBondContact O-N 3.17Å; A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 WeakPolarHBondContact O-CD1 3.45Å; A205-I209 WeakPolarHBondContact O-CG1 3.26Å; A205-I209 PolarHBondContact O-N 2.87Å; A205-M239 HydrophobicContact CB-CB 4Å; A205-M239 HydrophobicContact CB-CG 4.27Å
206	R	95.7	Very high	95.9	Very high	92 Å²	92	50 Å²	50	35%	0.347	24%	0.243	S	C	.	.	H	α-helix	trans	-67.2	-36.8	173.3	-70	161.3	-165.3	138.9	2.5	111.5	E199 K202 E203 A204 N210 M239	E199-R206 IonicContact OE1-CZ 3.63Å; E199-R206 VanDerWaalsContact OE1-CZ 3.27Å; E199-R206 IonicContact OE1-NH1 3.54Å; E199-R206 PolarHBondContact OE1-NH1 3.31Å; E199-R206 IonicContact OE1-NH2 3.87Å; E199-R206 PolarHBondContact OE1-NH2 2.92Å; K202-R206 WeakPolarHBondContact O-CD 3.4Å; K202-R206 WeakPolarHBondContact O-CG 3.4Å; K202-R206 PolarHBondContact O-N 3.25Å; E203-R206 PolarHBondContact O-N 3.41Å; E203-R206 VanDerWaalsContact O-N 3.17Å; A204-R206 VanDerWaalsContact C-N 3.33Å; A204-R206 PolarHBondContact O-N 2.72Å; R206-N210 PolarHBondContact O-N 2.9Å; R206-N210 PolarHBondContact O-ND2 3.11Å; R206-N210 PolarHBondContact O-OD1 2.97Å; R206-M239 HydrophobicContact CG-CE 4.17Å
207	L	93.6	Very high	96	Very high	101 Å²	101	55 Å²	55	53%	0.529	27%	0.266	S	S	.	.	H	α-helix	trans	-66.5	-44	172.4	-61.7	175.3	0	0	0	111.3	E203 A204 I209 N210 V211	E203-L207 PolarHBondContact O-N 2.7Å; A204-L207 WeakPolarHBondContact O-CB 3.4Å; A204-L207 PolarHBondContact O-N 3.37Å; L207-I209 VanDerWaalsContact C-N 3.34Å; L207-I209 PolarHBondContact O-N 2.93Å; L207-N210 PolarHBondContact O-N 2.9Å; L207-V211 WeakPolarHBondContact O-CG2 3.34Å; L207-V211 PolarHBondContact O-N 2.8Å; L207-V211 VanDerWaalsContact O-N 3.08Å
208	E	96.4	Very high	96	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.028	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-45.3	174.2	-171.8	176.3	-178.1	0	0	111.8	K193 A204 A205 V211 L212 F328	K193-E208 IonicContact NZ-OE1 2.7Å; K193-E208 PolarHBondContact NZ-OE1 2.76Å; K193-E208 IonicContact NZ-OE2 3.17Å; K193-E208 PolarHBondContact NZ-OE2 3.26Å; A204-E208 PolarHBondContact O-N 3.11Å; A205-E208 PolarHBondContact O-N 3.17Å; E208-V211 PolarHBondContact O-N 3.45Å; E208-L212 HydrophobicContact CG-CD1 3.85Å; E208-L212 HydrophobicContact CG-CG 4.44Å; E208-L212 WeakPolarHBondContact O-CB 3.46Å; E208-L212 VanDerWaalsContact O-CG 3.26Å; E208-L212 WeakPolarHBondContact O-CG 3.31Å; E208-L212 PolarHBondContact O-N 2.68Å; E208-F328 HydrophobicContact CG-CB 4.45Å
209	I	97.8	Very high	96.1	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-49.3	175.5	-73.3	161.4	0	0	0	111.1	A205 L207 V211 L212 E213 W232 M239 I241	A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 WeakPolarHBondContact O-CD1 3.45Å; A205-I209 WeakPolarHBondContact O-CG1 3.26Å; A205-I209 PolarHBondContact O-N 2.87Å; L207-I209 VanDerWaalsContact C-N 3.34Å; L207-I209 PolarHBondContact O-N 2.93Å; I209-V211 VanDerWaalsContact C-N 3.26Å; I209-V211 PolarHBondContact O-N 3.18Å; I209-L212 PolarHBondContact O-N 2.8Å; I209-L212 VanDerWaalsContact O-N 3.11Å; I209-E213 HydrophobicContact CG2-CG 4.24Å; I209-E213 WeakPolarHBondContact O-CG 3.44Å; I209-E213 PolarHBondContact O-N 3.12Å; I209-W232 HydrophobicContact CD1-CB 3.98Å; I209-W232 HydrophobicContact CD1-CD2 3.9Å; I209-W232 HydrophobicContact CD1-CE3 4Å; I209-W232 HydrophobicContact CD1-CG 3.9Å; I209-W232 HydrophobicContact CG1-CB 4.2Å; I209-W232 HydrophobicContact CG1-CG 4.14Å; I209-W232 VanDerWaalsContact CG2-CD1 3.48Å; I209-W232 HydrophobicContact CG2-CD2 4.02Å; I209-W232 HydrophobicContact CG2-CG 3.87Å; I209-W232 HydrophobicContact CG2-CZ2 4.45Å; I209-M239 HydrophobicContact CD1-CE 3.49Å; I209-M239 VanDerWaalsContact CD1-CE 3.49Å; I209-I241 HydrophobicContact CD1-CD1 4.11Å; I209-I241 HydrophobicContact CD1-CG1 4.02Å; I209-I241 HydrophobicContact CG1-CD1 3.68Å; I209-I241 HydrophobicContact CG1-CG1 3.91Å
210	N	96.8	Very high	96	Very high	92 Å²	92	55.6 Å²	55.6	49%	0.492	27%	0.27	S	S	.	.	H	α-helix	trans	-57.6	-39.3	179.1	-66.3	-16.7	0	0	0	112.2	R206 L207 K214	R206-N210 PolarHBondContact O-N 2.9Å; R206-N210 PolarHBondContact O-ND2 3.11Å; R206-N210 PolarHBondContact O-OD1 2.97Å; L207-N210 PolarHBondContact O-N 2.9Å; N210-K214 PolarHBondContact O-N 3.17Å
211	V	97.8	Very high	96	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.03	27%	0.271	C	S	.	.	H	α-helix	trans	-67	-46	175.4	170.7	0	0	0	0	111.2	L207 E208 I209 K214 I215 L286 F328 A331 F333	L207-V211 WeakPolarHBondContact O-CG2 3.34Å; L207-V211 PolarHBondContact O-N 2.8Å; L207-V211 VanDerWaalsContact O-N 3.08Å; E208-V211 PolarHBondContact O-N 3.45Å; I209-V211 VanDerWaalsContact C-N 3.26Å; I209-V211 PolarHBondContact O-N 3.18Å; V211-K214 PolarHBondContact O-N 3.03Å; V211-I215 HydrophobicContact CG1-CD1 3.82Å; V211-I215 HydrophobicContact CG1-CG1 4.48Å; V211-I215 WeakPolarHBondContact O-CG1 3.43Å; V211-I215 PolarHBondContact O-N 2.82Å; V211-L286 HydrophobicContact CG1-CD1 4.2Å; V211-L286 HydrophobicContact CG1-CD2 3.59Å; V211-L286 HydrophobicContact CG2-CD1 4.17Å; V211-F328 HydrophobicContact CG1-CB 3.9Å; V211-F328 HydrophobicContact CG1-CD1 4.13Å; V211-F328 HydrophobicContact CG1-CG 4.27Å; V211-A331 HydrophobicContact CG1-CB 4.17Å; V211-A331 HydrophobicContact CG2-CB 4.49Å; V211-F333 HydrophobicContact CG2-CE2 3.81Å; V211-F333 HydrophobicContact CG2-CZ 4.38Å
212	L	98.1	Very high	95.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-40.4	179.3	-72.8	166.8	0	0	0	112.9	E208 I209 K214 I215 N216 V227 M229 I241 F243 F328	E208-L212 HydrophobicContact CG-CD1 3.85Å; E208-L212 HydrophobicContact CG-CG 4.44Å; E208-L212 WeakPolarHBondContact O-CB 3.46Å; E208-L212 VanDerWaalsContact O-CG 3.26Å; E208-L212 WeakPolarHBondContact O-CG 3.31Å; E208-L212 PolarHBondContact O-N 2.68Å; I209-L212 PolarHBondContact O-N 2.8Å; I209-L212 VanDerWaalsContact O-N 3.11Å; L212-K214 VanDerWaalsContact C-N 3.28Å; L212-K214 PolarHBondContact O-N 3.17Å; L212-I215 PolarHBondContact O-N 2.95Å; L212-N216 WeakPolarHBondContact O-CB 3.44Å; L212-N216 PolarHBondContact O-N 2.91Å; L212-V227 HydrophobicContact CD2-CG1 4.5Å; L212-M229 HydrophobicContact CB-CB 4.03Å; L212-M229 HydrophobicContact CB-CE 4Å; L212-M229 HydrophobicContact CB-SD 3.84Å; L212-M229 HydrophobicContact CD1-CB 4.29Å; L212-M229 HydrophobicContact CD1-CG 4.5Å; L212-M229 HydrophobicContact CD1-SD 3.94Å; L212-M229 HydrophobicContact CD2-CB 4.46Å; L212-I241 HydrophobicContact CD1-CG2 4.17Å; L212-F243 HydrophobicContact CD1-CE1 3.54Å; L212-F243 HydrophobicContact CD1-CZ 3.66Å; L212-F243 HydrophobicContact CD2-CE1 3.95Å; L212-F243 HydrophobicContact CG-CE1 4.41Å; L212-F328 HydrophobicContact CD2-CD2 3.74Å; L212-F328 HydrophobicContact CD2-CE2 4.41Å; L212-F328 HydrophobicContact CD2-CG 4.36Å
213	E	97.7	Very high	95.8	Very high	90 Å²	90	58.5 Å²	58.5	42%	0.421	29%	0.29	S	S	.	.	H	α-helix	trans	-59.1	-42.4	171.8	-71.4	-171	164.5	0	0	110.7	I209 N216 E217 M229 W232	I209-E213 HydrophobicContact CG2-CG 4.24Å; I209-E213 WeakPolarHBondContact O-CG 3.44Å; I209-E213 PolarHBondContact O-N 3.12Å; E213-N216 PolarHBondContact O-N 2.88Å; E213-E217 WeakPolarHBondContact O-CB 3.46Å; E213-E217 PolarHBondContact O-N 3.06Å; E213-M229 HydrophobicContact CG-CE 3.56Å; E213-W232 PolarHBondContact OE1-NE1 3.29Å
214	K	97.1	Very high	95.9	Very high	78 Å²	78	55.2 Å²	55.2	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-71.6	-34	179.7	-162	50.3	154	-177.6	0	113.5	N210 V211 L212 E217 K218 F333	N210-K214 PolarHBondContact O-N 3.17Å; V211-K214 PolarHBondContact O-N 3.03Å; L212-K214 VanDerWaalsContact C-N 3.28Å; L212-K214 PolarHBondContact O-N 3.17Å; K214-E217 HydrophobicContact CD-CB 4.47Å; K214-E217 WeakPolarHBondContact CD-OE2 3.28Å; K214-E217 IonicContact NZ-OE1 3.48Å; K214-E217 PolarHBondContact NZ-OE1 2.78Å; K214-E217 IonicContact NZ-OE2 2.85Å; K214-E217 PolarHBondContact NZ-OE2 3.45Å; K214-K218 WeakPolarHBondContact O-CB 3.46Å; K214-K218 WeakPolarHBondContact O-CG 3.27Å; K214-K218 PolarHBondContact O-N 2.81Å; K214-F333 HydrophobicContact CB-CZ 4.24Å; K214-F333 HydrophobicContact CG-CZ 4.18Å
215	I	97.8	Very high	96.2	Very high	9 Å²	9	54.8 Å²	54.8	5%	0.046	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-49.8	171	-74.3	168.8	0	0	0	110	V211 L212 E217 K218 D219 C226 F280 L281 L286 F328	V211-I215 HydrophobicContact CG1-CD1 3.82Å; V211-I215 HydrophobicContact CG1-CG1 4.48Å; V211-I215 WeakPolarHBondContact O-CG1 3.43Å; V211-I215 PolarHBondContact O-N 2.82Å; L212-I215 PolarHBondContact O-N 2.95Å; I215-E217 PolarHBondContact O-N 3.09Å; I215-K218 PolarHBondContact O-N 3.17Å; I215-K218 VanDerWaalsContact O-N 3.11Å; I215-D219 PolarHBondContact O-N 2.95Å; I215-C226 HydrophobicContact CG2-CB 3.8Å; I215-F280 HydrophobicContact CG1-CE1 4.46Å; I215-F280 HydrophobicContact CG2-CE1 4.21Å; I215-L281 HydrophobicContact CD1-CD2 3.89Å; I215-L281 HydrophobicContact CG1-CD2 4.23Å; I215-L286 HydrophobicContact CD1-CD2 4.19Å; I215-L286 HydrophobicContact CG1-CD2 4.4Å; I215-F328 HydrophobicContact CD1-CD1 3.58Å; I215-F328 HydrophobicContact CD1-CD2 4.27Å; I215-F328 HydrophobicContact CD1-CE1 3.47Å; I215-F328 VanDerWaalsContact CD1-CE1 3.47Å; I215-F328 HydrophobicContact CD1-CE2 4.17Å; I215-F328 HydrophobicContact CD1-CG 3.99Å; I215-F328 HydrophobicContact CD1-CZ 3.79Å
216	N	97.4	Very high	96.3	Very high	40 Å²	40	54.9 Å²	54.9	21%	0.214	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-39.8	177.7	-81.1	-7.2	0	0	0	113.1	L212 E213 K218 D219 M229	L212-N216 WeakPolarHBondContact O-CB 3.44Å; L212-N216 PolarHBondContact O-N 2.91Å; E213-N216 PolarHBondContact O-N 2.88Å; N216-K218 VanDerWaalsContact C-N 3.26Å; N216-K218 PolarHBondContact O-N 3.02Å; N216-D219 CarbonylContact O-C 3.59Å; N216-M229 PolarHBondContact ND2-O 2.81Å
217	E	97.3	Very high	96.4	Very high	117 Å²	117	50.8 Å²	50.8	55%	0.547	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-36.8	174.5	-174.7	-153	109.8	0	0	111.7	E213 K214 I215	E213-E217 WeakPolarHBondContact O-CB 3.46Å; E213-E217 PolarHBondContact O-N 3.06Å; K214-E217 HydrophobicContact CD-CB 4.47Å; K214-E217 WeakPolarHBondContact CD-OE2 3.28Å; K214-E217 IonicContact NZ-OE1 3.48Å; K214-E217 PolarHBondContact NZ-OE1 2.78Å; K214-E217 IonicContact NZ-OE2 2.85Å; K214-E217 PolarHBondContact NZ-OE2 3.45Å; I215-E217 PolarHBondContact O-N 3.09Å
218	K	97.3	Very high	96.5	Very high	105 Å²	105	48.1 Å²	48.1	46%	0.457	24%	0.24	S	C	.	.	H	α-helix	trans	-87.5	-21.8	-175.6	-70.3	-68.6	-173.1	176	0	114.2	K214 I215 N216 F280 N284	K214-K218 WeakPolarHBondContact O-CB 3.46Å; K214-K218 WeakPolarHBondContact O-CG 3.27Å; K214-K218 PolarHBondContact O-N 2.81Å; I215-K218 PolarHBondContact O-N 3.17Å; I215-K218 VanDerWaalsContact O-N 3.11Å; N216-K218 VanDerWaalsContact C-N 3.26Å; N216-K218 PolarHBondContact O-N 3.02Å; K218-F280 HydrophobicContact CB-CE2 3.9Å; K218-F280 HydrophobicContact CB-CZ 3.64Å; K218-N284 VanDerWaalsContact CD-OD1 3.29Å; K218-N284 WeakPolarHBondContact CD-OD1 3.26Å; K218-N284 WeakPolarHBondContact CE-OD1 3.34Å; K218-N284 WeakPolarHBondContact CG-OD1 3.41Å
219	D	96.7	Very high	96.6	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.053	24%	0.241	C	C	.	.			trans	-142.4	68.7	178.4	-173.2	21.9	0	0	0	112.5	I215 N216 D221 N222 K223 N224 F280	I215-D219 PolarHBondContact O-N 2.95Å; N216-D219 CarbonylContact O-C 3.59Å; D219-D221 PolarHBondContact O-N 2.79Å; D219-D221 VanDerWaalsContact O-N 3.15Å; D219-N222 PolarHBondContact O-N 2.58Å; D219-N222 PolarHBondContact OD1-N 3.3Å; D219-N222 WeakPolarHBondContact OD2-CA 3.28Å; D219-K223 VanDerWaalsContact CG-N 3.29Å; D219-K223 PolarHBondContact OD1-N 2.93Å; D219-K223 PolarHBondContact OD2-N 3.2Å; D219-N224 PolarHBondContact OD1-ND2 3.4Å; D219-N224 WeakPolarHBondContact OD2-CA 3.47Å; D219-N224 VanDerWaalsContact OD2-CB 3.3Å; D219-N224 WeakPolarHBondContact OD2-CB 3.32Å; D219-N224 PolarHBondContact OD2-N 3.18Å; D219-N224 PolarHBondContact OD2-ND2 3.43Å; D219-F280 HydrophobicContact CB-CE1 4.42Å; D219-F280 HydrophobicContact CB-CE2 3.89Å; D219-F280 HydrophobicContact CB-CZ 3.63Å
220	P	93.6	Very high	96.6	Very high	89 Å²	89	50.6 Å²	50.6	58%	0.578	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.5	179.2	26	-35.5	0	0	0	113.2	Q228	P220-Q228 PolarHBondContact O-NE2 2.98Å
221	D	92.8	Very high	96.6	Very high	106 Å²	106	48.9 Å²	48.9	57%	0.567	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.8	-178.1	-62.7	-40.6	0	0	0	114	D219 K223	D219-D221 PolarHBondContact O-N 2.79Å; D219-D221 VanDerWaalsContact O-N 3.15Å; D221-K223 VanDerWaalsContact C-N 3.31Å; D221-K223 HydrophobicContact CB-CD 3.77Å; D221-K223 HydrophobicContact CB-CG 3.9Å; D221-K223 PolarHBondContact O-N 2.92Å; D221-K223 WeakPolarHBondContact OD2-CE 3.49Å; D221-K223 IonicContact OD2-NZ 3.68Å; D221-K223 PolarHBondContact OD2-NZ 2.82Å
222	N	91.2	Very high	96.6	Very high	16 Å²	16	53.5 Å²	53.5	9%	0.086	26%	0.258	C	S	.	.			trans	54.6	39.9	-176.7	-157	-16.3	0	0	0	114	D219 N224 C226 Q228 E244 R324	D219-N222 PolarHBondContact O-N 2.58Å; D219-N222 PolarHBondContact OD1-N 3.3Å; D219-N222 WeakPolarHBondContact OD2-CA 3.28Å; N222-N224 VanDerWaalsContact C-N 3.32Å; N222-C226 PolarHBondContact OD1-O 3.03Å; N222-Q228 HydrophobicContact CB-CG 4.1Å; N222-Q228 WeakPolarHBondContact ND2-CG 3.44Å; N222-Q228 PolarHBondContact ND2-OE1 2.99Å; N222-E244 PolarHBondContact ND2-OE1 2.91Å; N222-R324 PolarHBondContact ND2-NE 2.81Å; N222-R324 PolarHBondContact ND2-NH2 3.03Å; N222-R324 PolarHBondContact OD1-NE 3.44Å; N222-R324 PolarHBondContact OD1-NH2 3.48Å
223	K	94.2	Very high	96.6	Very high	127 Å²	127	54.3 Å²	54.3	55%	0.552	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.7	178.9	-72	165	177.6	160.4	0	113.2	D219 D221 Q276	D219-K223 VanDerWaalsContact CG-N 3.29Å; D219-K223 PolarHBondContact OD1-N 2.93Å; D219-K223 PolarHBondContact OD2-N 3.2Å; D221-K223 VanDerWaalsContact C-N 3.31Å; D221-K223 HydrophobicContact CB-CD 3.77Å; D221-K223 HydrophobicContact CB-CG 3.9Å; D221-K223 PolarHBondContact O-N 2.92Å; D221-K223 WeakPolarHBondContact OD2-CE 3.49Å; D221-K223 IonicContact OD2-NZ 3.68Å; D221-K223 PolarHBondContact OD2-NZ 2.82Å; K223-Q276 PolarHBondContact O-NE2 3.2Å
224	N	96.6	Very high	96.6	Very high	40 Å²	40	53.9 Å²	53.9	21%	0.214	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	16.8	-177	-53	-87.2	0	0	0	112.3	D219 N222 C226 A277 F280	D219-N224 PolarHBondContact OD1-ND2 3.4Å; D219-N224 WeakPolarHBondContact OD2-CA 3.47Å; D219-N224 VanDerWaalsContact OD2-CB 3.3Å; D219-N224 WeakPolarHBondContact OD2-CB 3.32Å; D219-N224 PolarHBondContact OD2-N 3.18Å; D219-N224 PolarHBondContact OD2-ND2 3.43Å; N222-N224 VanDerWaalsContact C-N 3.32Å; N224-C226 PolarHBondContact O-N 2.9Å; N224-C226 PolarHBondContact O-SG 3.2Å; N224-A277 WeakPolarHBondContact O-CA 3.49Å; N224-A277 WeakPolarHBondContact O-CB 3.34Å; N224-F280 HydrophobicContact CB-CB 3.63Å; N224-F280 HydrophobicContact CB-CD1 3.76Å; N224-F280 HydrophobicContact CB-CD2 3.82Å; N224-F280 HydrophobicContact CB-CE1 4.35Å; N224-F280 HydrophobicContact CB-CE2 4.38Å; N224-F280 HydrophobicContact CB-CG 3.46Å; N224-F280 VanDerWaalsContact CB-CG 3.46Å
225	L	97.8	Very high	96.6	Very high	23 Å²	23	52 Å²	52	12%	0.12	25%	0.254	C	S	.	.			trans	59.6	27.1	157.8	-36.8	174.9	0	0	0	114.6	Q273 A277 R324 V325	L225-Q273 HydrophobicContact CD1-CB 3.55Å; L225-Q273 HydrophobicContact CD1-CG 3.64Å; L225-A277 HydrophobicContact CB-CB 4.27Å; L225-R324 VanDerWaalsContact O-CA 3.26Å; L225-R324 WeakPolarHBondContact O-CA 3.22Å; L225-R324 WeakPolarHBondContact O-CD 3.21Å; L225-V325 PolarHBondContact O-N 2.99Å
226	C	98.3	Very high	96.4	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.02	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-90.9	147.2	168.7	-62	0	0	0	0	108.7	I215 N222 N224 Q228 F328	I215-C226 HydrophobicContact CG2-CB 3.8Å; N222-C226 PolarHBondContact OD1-O 3.03Å; N224-C226 PolarHBondContact O-N 2.9Å; N224-C226 PolarHBondContact O-SG 3.2Å; C226-Q228 PolarHBondContact O-N 3.11Å; C226-F328 HydrophobicContact CB-CE2 4.3Å; C226-F328 HydrophobicContact CB-CZ 3.89Å
227	V	97.8	Very high	96.3	Very high	6 Å²	6	56 Å²	56	4%	0.036	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-61.5	124.5	-179.4	68.4	0	0	0	0	111.4	L212 M229 F243 E244 L246 V325 V326 F328	L212-V227 HydrophobicContact CD2-CG1 4.5Å; V227-M229 PolarHBondContact O-N 3.41Å; V227-F243 HydrophobicContact CG1-CD1 3.88Å; V227-F243 HydrophobicContact CG1-CE1 3.97Å; V227-F243 HydrophobicContact CG2-CB 4.08Å; V227-F243 HydrophobicContact CG2-CD1 3.87Å; V227-F243 HydrophobicContact CG2-CG 4.33Å; V227-E244 HydrophobicContact CG2-CG 3.67Å; V227-L246 HydrophobicContact CG2-CD1 3.99Å; V227-V325 PolarHBondContact N-O 2.78Å; V227-V326 HydrophobicContact CB-CG1 4.05Å; V227-V326 HydrophobicContact CG1-CB 4.16Å; V227-V326 HydrophobicContact CG1-CG1 4.25Å; V227-F328 HydrophobicContact CG1-CD2 4.44Å; V227-F328 HydrophobicContact CG1-CE2 4.16Å
228	Q	96.8	Very high	96.3	Very high	46 Å²	46	50.5 Å²	50.5	22%	0.215	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-73.4	118.5	175.4	-84.7	-177.3	-44.7	0	0	111.1	P220 N222 C226 F230 F243 E244	P220-Q228 PolarHBondContact O-NE2 2.98Å; N222-Q228 HydrophobicContact CB-CG 4.1Å; N222-Q228 WeakPolarHBondContact ND2-CG 3.44Å; N222-Q228 PolarHBondContact ND2-OE1 2.99Å; C226-Q228 PolarHBondContact O-N 3.11Å; Q228-F230 HydrophobicContact CB-CD1 4.17Å; Q228-F230 HydrophobicContact CB-CE1 3.81Å; Q228-F243 VanDerWaalsContact O-CA 3.31Å; Q228-F243 WeakPolarHBondContact O-CA 3.18Å; Q228-E244 HydrophobicContact CB-CG 4.47Å; Q228-E244 PolarHBondContact N-OE1 3.43Å; Q228-E244 PolarHBondContact O-N 2.93Å
229	M	97.9	Very high	96.3	Very high	13 Å²	13	45.8 Å²	45.8	6%	0.064	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.8	160	-176	178.9	71.1	0	0	108.8	L212 E213 N216 V227 W232 I241 S242 F243	L212-M229 HydrophobicContact CB-CB 4.03Å; L212-M229 HydrophobicContact CB-CE 4Å; L212-M229 HydrophobicContact CB-SD 3.84Å; L212-M229 HydrophobicContact CD1-CB 4.29Å; L212-M229 HydrophobicContact CD1-CG 4.5Å; L212-M229 HydrophobicContact CD1-SD 3.94Å; L212-M229 HydrophobicContact CD2-CB 4.46Å; E213-M229 HydrophobicContact CG-CE 3.56Å; N216-M229 PolarHBondContact ND2-O 2.81Å; V227-M229 PolarHBondContact O-N 3.41Å; M229-W232 HydrophobicContact SD-CB 4.32Å; M229-I241 HydrophobicContact CG-CG2 3.7Å; M229-I241 HydrophobicContact SD-CG2 3.54Å; M229-I241 VanDerWaalsContact SD-CG2 3.54Å; M229-S242 CarbonylContact C-O 3.34Å; M229-S242 WeakPolarHBondContact CA-O 3.33Å; M229-F243 HydrophobicContact CB-CD1 4.26Å; M229-F243 HydrophobicContact CB-CE1 4.23Å
230	F	97.1	Very high	96.4	Very high	48 Å²	48	45.3 Å²	45.3	21%	0.211	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-27.9	179.8	-68.1	-17.8	0	0	0	113.6	R185 V190 Q228 S242 E244	R185-F230 VanDerWaalsContact CZ-CG 3.41Å; R185-F230 VanDerWaalsContact NH1-CD1 3.33Å; R185-F230 VanDerWaalsContact NH1-CE1 3.28Å; R185-F230 VanDerWaalsContact NH1-CG 3.31Å; V190-F230 HydrophobicContact CG1-CD2 3.8Å; V190-F230 HydrophobicContact CG1-CE2 4.08Å; Q228-F230 HydrophobicContact CB-CD1 4.17Å; Q228-F230 HydrophobicContact CB-CE1 3.81Å; F230-S242 PolarHBondContact N-O 2.99Å; F230-E244 HydrophobicContact CE1-CB 4.16Å; F230-E244 HydrophobicContact CE2-CB 4.08Å; F230-E244 HydrophobicContact CZ-CB 3.56Å
231	D	97.2	Very high	96.6	Very high	55 Å²	55	41 Å²	41	29%	0.294	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	162.7	180	-145.5	-30.4	0	0	0	110.5	R162 Y163 S242	R162-D231 IonicContact CZ-OD2 2.77Å; R162-D231 IonicContact NH1-OD2 3.11Å; R162-D231 PolarHBondContact NH1-OD2 2.98Å; R162-D231 IonicContact NH2-OD2 2.7Å; R162-D231 PolarHBondContact NH2-OD2 3.15Å; Y163-D231 WeakPolarHBondContact OH-CB 3.29Å; D231-S242 PolarHBondContact O-N 3.01Å
232	W	98.2	Very high	96.9	Very high	102 Å²	102	36 Å²	36	39%	0.386	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.5	166.2	70.6	-96	0	0	0	111.5	I209 E213 M229 M239 C240	I209-W232 HydrophobicContact CD1-CB 3.98Å; I209-W232 HydrophobicContact CD1-CD2 3.9Å; I209-W232 HydrophobicContact CD1-CE3 4Å; I209-W232 HydrophobicContact CD1-CG 3.9Å; I209-W232 HydrophobicContact CG1-CB 4.2Å; I209-W232 HydrophobicContact CG1-CG 4.14Å; I209-W232 VanDerWaalsContact CG2-CD1 3.48Å; I209-W232 HydrophobicContact CG2-CD2 4.02Å; I209-W232 HydrophobicContact CG2-CG 3.87Å; I209-W232 HydrophobicContact CG2-CZ2 4.45Å; E213-W232 PolarHBondContact OE1-NE1 3.29Å; M229-W232 HydrophobicContact SD-CB 4.32Å; W232-M239 HydrophobicContact CE3-CE 3.79Å; W232-M239 HydrophobicContact CZ3-CE 3.85Å; W232-C240 CarbonylContact C-O 3.56Å; W232-C240 VanDerWaalsContact CA-O 3.23Å; W232-C240 WeakPolarHBondContact CA-O 3.44Å
233	F	97.9	Very high	97.2	Very high	18 Å²	18	36.1 Å²	36.1	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	156.5	-179.5	54	-86.1	0	0	0	112.5	L159 Q160 Y163 L192 Y235 C240	L159-F233 HydrophobicContact CB-CE2 4.48Å; L159-F233 HydrophobicContact CB-CZ 4.49Å; Q160-F233 HydrophobicContact CB-CE2 4.44Å; Q160-F233 HydrophobicContact CG-CB 4.49Å; Q160-F233 HydrophobicContact CG-CD1 4.28Å; Q160-F233 HydrophobicContact CG-CD2 3.39Å; Q160-F233 HydrophobicContact CG-CE1 4.37Å; Q160-F233 HydrophobicContact CG-CE2 3.47Å; Q160-F233 VanDerWaalsContact CG-CE2 3.47Å; Q160-F233 HydrophobicContact CG-CG 3.81Å; Q160-F233 HydrophobicContact CG-CZ 3.99Å; Y163-F233 AromaticContact CD2-CE1 3.74Å; Y163-F233 HydrophobicContact CD2-CE1 3.74Å; Y163-F233 AromaticContact CD2-CZ 3.75Å; Y163-F233 HydrophobicContact CD2-CZ 3.75Å; Y163-F233 HydrophobicContact CE2-CD1 4.17Å; Y163-F233 AromaticContact CE2-CE1 3.32Å; Y163-F233 HydrophobicContact CE2-CE1 3.32Å; Y163-F233 AromaticContact CE2-CZ 3.86Å; Y163-F233 HydrophobicContact CE2-CZ 3.86Å; L192-F233 HydrophobicContact CD1-CE1 3.9Å; L192-F233 HydrophobicContact CD1-CZ 3.96Å; L192-F233 HydrophobicContact CD2-CZ 4.24Å; F233-Y235 HydrophobicContact CE2-CG 4.49Å; F233-C240 HydrophobicContact CD1-CB 4.18Å; F233-C240 HydrophobicContact CD2-CB 3.68Å; F233-C240 HydrophobicContact CE1-CB 3.87Å; F233-C240 HydrophobicContact CE2-CB 3.36Å; F233-C240 HydrophobicContact CG-CB 4.1Å; F233-C240 HydrophobicContact CZ-CB 3.47Å; F233-C240 VanDerWaalsContact CZ-CB 3.47Å; F233-C240 PolarHBondContact N-O 3.3Å; F233-C240 PolarHBondContact O-N 3.38Å
234	D	97.2	Very high	97.3	Very high	80 Å²	80	31.4 Å²	31.4	43%	0.428	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	134.9	160.8	-171.3	-55.6	0	0	0	109	Q160 H236 G237 H238	Q160-D234 PolarHBondContact NE2-O 3.28Å; D234-H236 PolarHBondContact OD1-N 2.83Å; D234-G237 WeakPolarHBondContact OD1-CA 3.3Å; D234-G237 PolarHBondContact OD1-N 2.84Å; D234-H238 CarbonylContact C-O 3.53Å; D234-H238 WeakPolarHBondContact CA-O 3.41Å
235	Y	96.8	Very high	97.4	Very high	40 Å²	40	32 Å²	32	16%	0.157	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	98.5	170.8	-172.8	-100.8	0	0	0	109.4	V143 L151 L159 F233 G237 H238	V143-Y235 HydrophobicContact CG1-CE1 4.01Å; V143-Y235 HydrophobicContact CG2-CE1 4.09Å; L151-Y235 HydrophobicContact CD1-CE1 4.28Å; L151-Y235 HydrophobicContact CD2-CD1 4.08Å; L151-Y235 HydrophobicContact CD2-CE1 4.1Å; L159-Y235 HydrophobicContact CB-CD2 4.49Å; L159-Y235 HydrophobicContact CB-CE2 4.36Å; L159-Y235 HydrophobicContact CD1-CE1 4.42Å; L159-Y235 HydrophobicContact CD2-CD1 4.26Å; L159-Y235 HydrophobicContact CD2-CE1 4.5Å; L159-Y235 HydrophobicContact CD2-CG 4.48Å; L159-Y235 HydrophobicContact CG-CD1 4.06Å; L159-Y235 HydrophobicContact CG-CD2 4.35Å; L159-Y235 HydrophobicContact CG-CE1 3.88Å; L159-Y235 HydrophobicContact CG-CE2 4.19Å; L159-Y235 HydrophobicContact CG-CG 4.28Å; F233-Y235 HydrophobicContact CE2-CG 4.49Å; Y235-G237 PolarHBondContact O-N 3.49Å; Y235-H238 PolarHBondContact N-O 2.82Å; Y235-H238 WeakPolarHBondContact O-CB 3.34Å; Y235-H238 PolarHBondContact O-CD2 3.09Å; Y235-H238 PolarHBondContact O-N 2.77Å
236	H	94.8	Very high	97.4	Very high	121 Å²	121	32.1 Å²	32.1	56%	0.56	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	24	179.3	-63.6	-100.7	0	0	0	114.8	V143 N197 D234	V143-H236 HydrophobicContact CB-CB 4.48Å; V143-H236 HydrophobicContact CG1-CB 3.78Å; N197-H236 PolarHBondContact ND2-O 3.41Å; D234-H236 PolarHBondContact OD1-N 2.83Å
237	G	94.8	Very high	97.4	Very high	12 Å²	12	33 Å²	33	12%	0.124	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.6	-12.7	-174.1	0	0	0	0	0	113.7	N197 K202 D234 Y235	N197-G237 PolarHBondContact OD1-O 2.78Å; K202-G237 WeakPolarHBondContact CD-O 3.48Å; D234-G237 WeakPolarHBondContact OD1-CA 3.3Å; D234-G237 PolarHBondContact OD1-N 2.84Å; Y235-G237 PolarHBondContact O-N 3.49Å
238	H	97.6	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.6	170.4	-61.8	-77.3	0	0	0	110.5	D145 G149 L151 I194 I195 D234 Y235 C240	D145-H238 IonicContact OD1-NE2 3.61Å; D145-H238 IonicContact OD2-CE1 3.6Å; D145-H238 IonicContact OD2-NE2 3.41Å; G149-H238 PolarHBondContact O-CE1 3.27Å; L151-H238 PolarHBondContact N-CE1 2.76Å; I194-H238 HydrophobicContact CG2-CB 4.14Å; I195-H238 PolarHBondContact O-ND1 2.75Å; D234-H238 CarbonylContact C-O 3.53Å; D234-H238 WeakPolarHBondContact CA-O 3.41Å; Y235-H238 PolarHBondContact N-O 2.82Å; Y235-H238 WeakPolarHBondContact O-CB 3.34Å; Y235-H238 PolarHBondContact O-CD2 3.09Å; Y235-H238 PolarHBondContact O-N 2.77Å; H238-C240 PolarHBondContact O-N 2.65Å
239	M	97.9	Very high	97.4	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.7	164.2	-62.8	-61.1	-58.7	0	0	108.2	I195 K202 A205 R206 I209 W232	I195-M239 HydrophobicContact CB-CB 4.13Å; I195-M239 VanDerWaalsContact CB-O 3.28Å; I195-M239 WeakPolarHBondContact CB-O 3.48Å; I195-M239 HydrophobicContact CG1-CB 4.18Å; I195-M239 VanDerWaalsContact CG1-O 3.27Å; I195-M239 WeakPolarHBondContact CG1-O 3.17Å; I195-M239 PolarHBondContact N-O 2.74Å; K202-M239 HydrophobicContact CB-CG 3.91Å; K202-M239 HydrophobicContact CG-CG 4.06Å; A205-M239 HydrophobicContact CB-CB 4Å; A205-M239 HydrophobicContact CB-CG 4.27Å; R206-M239 HydrophobicContact CG-CE 4.17Å; I209-M239 HydrophobicContact CD1-CE 3.49Å; I209-M239 VanDerWaalsContact CD1-CE 3.49Å; W232-M239 HydrophobicContact CE3-CE 3.79Å; W232-M239 HydrophobicContact CZ3-CE 3.85Å
240	C	98.3	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.3	-179.9	-71.2	0	0	0	0	109.5	L192 K193 W232 F233 H238	L192-C240 HydrophobicContact CD1-CB 4.28Å; K193-C240 WeakPolarHBondContact O-CA 3.38Å; W232-C240 CarbonylContact C-O 3.56Å; W232-C240 VanDerWaalsContact CA-O 3.23Å; W232-C240 WeakPolarHBondContact CA-O 3.44Å; F233-C240 HydrophobicContact CD1-CB 4.18Å; F233-C240 HydrophobicContact CD2-CB 3.68Å; F233-C240 HydrophobicContact CE1-CB 3.87Å; F233-C240 HydrophobicContact CE2-CB 3.36Å; F233-C240 HydrophobicContact CG-CB 4.1Å; F233-C240 HydrophobicContact CZ-CB 3.47Å; F233-C240 VanDerWaalsContact CZ-CB 3.47Å; F233-C240 PolarHBondContact N-O 3.3Å; F233-C240 PolarHBondContact O-N 3.38Å; H238-C240 PolarHBondContact O-N 2.65Å
241	I	98.4	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.4	-178.9	-47.8	173	0	0	0	109.3	L192 K193 I209 L212 M229 F243	L192-I241 CarbonylContact C-O 3.51Å; L192-I241 WeakPolarHBondContact CA-O 3.44Å; K193-I241 HydrophobicContact CB-CB 4.37Å; K193-I241 PolarHBondContact N-O 3.03Å; K193-I241 PolarHBondContact O-N 3.37Å; I209-I241 HydrophobicContact CD1-CD1 4.11Å; I209-I241 HydrophobicContact CD1-CG1 4.02Å; I209-I241 HydrophobicContact CG1-CD1 3.68Å; I209-I241 HydrophobicContact CG1-CG1 3.91Å; L212-I241 HydrophobicContact CD1-CG2 4.17Å; M229-I241 HydrophobicContact CG-CG2 3.7Å; M229-I241 HydrophobicContact SD-CG2 3.54Å; M229-I241 VanDerWaalsContact SD-CG2 3.54Å; I241-F243 HydrophobicContact CB-CE2 3.74Å; I241-F243 HydrophobicContact CB-CZ 4.06Å; I241-F243 HydrophobicContact CG2-CD2 4.24Å; I241-F243 HydrophobicContact CG2-CE1 4.07Å; I241-F243 HydrophobicContact CG2-CE2 3.49Å; I241-F243 VanDerWaalsContact CG2-CE2 3.49Å; I241-F243 HydrophobicContact CG2-CZ 3.4Å; I241-F243 VanDerWaalsContact CG2-CZ 3.4Å; I241-F243 WeakPolarHBondContact O-CD2 3.45Å
242	S	98.3	Very high	97.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.3	-178.9	-173.3	0	0	0	0	110.6	Y163 A191 M229 F230 D231	Y163-S242 WeakPolarHBondContact CE1-OG 3.3Å; Y163-S242 PolarHBondContact OH-OG 2.95Å; A191-S242 CarbonylContact O-C 3.51Å; A191-S242 WeakPolarHBondContact O-CA 3.28Å; M229-S242 CarbonylContact C-O 3.34Å; M229-S242 WeakPolarHBondContact CA-O 3.33Å; F230-S242 PolarHBondContact N-O 2.99Å; D231-S242 PolarHBondContact O-N 3.01Å
243	F	98.3	Very high	97.5	Very high	19 Å²	19	27.7 Å²	27.7	8%	0.083	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	166.3	-176.6	-62.6	-85.8	0	0	0	112.8	V190 A191 K193 L212 V227 Q228 M229 I241	V190-F243 WeakPolarHBondContact CA-O 3.16Å; V190-F243 WeakPolarHBondContact CB-O 3.38Å; A191-F243 HydrophobicContact CB-CB 4.42Å; A191-F243 PolarHBondContact N-O 3.31Å; A191-F243 PolarHBondContact O-N 3.25Å; K193-F243 HydrophobicContact CB-CE2 3.88Å; K193-F243 HydrophobicContact CD-CE2 4.28Å; L212-F243 HydrophobicContact CD1-CE1 3.54Å; L212-F243 HydrophobicContact CD1-CZ 3.66Å; L212-F243 HydrophobicContact CD2-CE1 3.95Å; L212-F243 HydrophobicContact CG-CE1 4.41Å; V227-F243 HydrophobicContact CG1-CD1 3.88Å; V227-F243 HydrophobicContact CG1-CE1 3.97Å; V227-F243 HydrophobicContact CG2-CB 4.08Å; V227-F243 HydrophobicContact CG2-CD1 3.87Å; V227-F243 HydrophobicContact CG2-CG 4.33Å; Q228-F243 VanDerWaalsContact O-CA 3.31Å; Q228-F243 WeakPolarHBondContact O-CA 3.18Å; M229-F243 HydrophobicContact CB-CD1 4.26Å; M229-F243 HydrophobicContact CB-CE1 4.23Å; I241-F243 HydrophobicContact CB-CE2 3.74Å; I241-F243 HydrophobicContact CB-CZ 4.06Å; I241-F243 HydrophobicContact CG2-CD2 4.24Å; I241-F243 HydrophobicContact CG2-CE1 4.07Å; I241-F243 HydrophobicContact CG2-CE2 3.49Å; I241-F243 VanDerWaalsContact CG2-CE2 3.49Å; I241-F243 HydrophobicContact CG2-CZ 3.4Å; I241-F243 VanDerWaalsContact CG2-CZ 3.4Å; I241-F243 WeakPolarHBondContact O-CD2 3.45Å
244	E	96	Very high	97.4	Very high	28 Å²	28	26.9 Å²	26.9	13%	0.131	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	137.3	159.5	61	-178.5	138.1	0	0	111	N222 V227 Q228 F230 L246 R324	N222-E244 PolarHBondContact ND2-OE1 2.91Å; V227-E244 HydrophobicContact CG2-CG 3.67Å; Q228-E244 HydrophobicContact CB-CG 4.47Å; Q228-E244 PolarHBondContact N-OE1 3.43Å; Q228-E244 PolarHBondContact O-N 2.93Å; F230-E244 HydrophobicContact CE1-CB 4.16Å; F230-E244 HydrophobicContact CE2-CB 4.08Å; F230-E244 HydrophobicContact CZ-CB 3.56Å; E244-L246 HydrophobicContact CG-CD2 4.1Å; E244-L246 HydrophobicContact CG-CG 4.27Å; E244-R324 IonicContact OE1-NE 3.23Å; E244-R324 PolarHBondContact OE1-NE 3.21Å; E244-R324 VanDerWaalsContact OE1-NE 3.17Å; E244-R324 IonicContact OE2-NE 3.73Å
245	L	97.8	Very high	97.4	Very high	52 Å²	52	27 Å²	27	27%	0.272	14%	0.138	S	C	.	.			trans	-80.4	126.6	174.1	179.8	69.6	0	0	0	109.3	L169 Q179 R189 A191	L169-L245 HydrophobicContact CD1-CD1 3.71Å; Q179-L245 HydrophobicContact CG-CD1 4.29Å; Q179-L245 HydrophobicContact CG-CD2 4.13Å; Q179-L245 VanDerWaalsContact NE2-CD2 3.27Å; R189-L245 HydrophobicContact CB-CD2 3.67Å; A191-L245 HydrophobicContact CB-CD1 4.29Å
246	L	98	Very high	97.4	Very high	26 Å²	26	28.5 Å²	28.5	14%	0.136	15%	0.149	C	C	.	.			trans	-114.9	171.1	-179.9	-60.2	172.7	0	0	0	111.2	V227 E244 L297 V299 R324 V326	V227-L246 HydrophobicContact CG2-CD1 3.99Å; E244-L246 HydrophobicContact CG-CD2 4.1Å; E244-L246 HydrophobicContact CG-CG 4.27Å; L246-L297 HydrophobicContact CB-CB 4.12Å; L246-L297 HydrophobicContact CB-CD2 3.99Å; L246-L297 HydrophobicContact CD1-CB 3.96Å; L246-L297 HydrophobicContact CD1-CD2 4.16Å; L246-V299 HydrophobicContact CD2-CG2 4.42Å; L246-R324 HydrophobicContact CD1-CB 3.68Å; L246-R324 HydrophobicContact CD1-CG 3.84Å; L246-R324 HydrophobicContact CD2-CB 4.41Å; L246-R324 HydrophobicContact CD2-CG 3.7Å; L246-R324 HydrophobicContact CG-CG 4.45Å; L246-V326 HydrophobicContact CD1-CG1 3.99Å
247	G	97.8	Very high	97.4	Very high	22 Å²	22	22.9 Å²	22.9	23%	0.227	12%	0.123	C	C	.	.			trans	-80.4	-160.1	171.5	0	0	0	0	0	113.2	F298	G247-F298 WeakPolarHBondContact CA-O 3.28Å; G247-F298 PolarHBondContact N-O 2.72Å
248	L	97.4	Very high	97.4	Very high	68 Å²	68	26.2 Å²	26.2	36%	0.356	14%	0.138	S	C	.	.			trans	-60.1	153.8	177.5	-65	176.4	0	0	0	112.7	D252 F253 F298 S301	L248-D252 HydrophobicContact CD2-CB 4.48Å; L248-F253 HydrophobicContact CB-CB 4.5Å; L248-F253 HydrophobicContact CD1-CD2 4.48Å; L248-F298 PolarHBondContact O-N 3.26Å; L248-S301 PolarHBondContact N-OG 3.23Å
249	S	98.2	Very high	97.3	Very high	8 Å²	8	27.8 Å²	27.8	6%	0.056	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-63.5	153.5	162.7	77.6	0	0	0	0	110.4	F251 D252 F253 E294 I296	S249-F251 PolarHBondContact O-N 3.17Å; S249-D252 PolarHBondContact O-N 2.71Å; S249-D252 WeakPolarHBondContact OG-CB 3.48Å; S249-D252 PolarHBondContact OG-N 3.18Å; S249-D252 PolarHBondContact OG-OD2 3.15Å; S249-F253 PolarHBondContact O-N 2.63Å; S249-E294 WeakPolarHBondContact CB-O 3.5Å; S249-I296 CarbonylContact C-O 3.53Å; S249-I296 WeakPolarHBondContact CA-O 3.44Å
250	T	98.6	Very high	97.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-32.3	173.5	59.9	0	0	0	0	111.5	L254 Y262 M270 P293 I296 F298 V323 Y374	T250-L254 WeakPolarHBondContact O-CB 3.22Å; T250-L254 PolarHBondContact O-N 3.34Å; T250-Y262 PolarHBondContact O-OH 3.16Å; T250-Y262 VanDerWaalsContact O-OH 3.08Å; T250-M270 HydrophobicContact CG2-SD 4.19Å; T250-P293 PolarHBondContact N-O 3.17Å; T250-P293 WeakPolarHBondContact OG1-CA 3.36Å; T250-P293 WeakPolarHBondContact OG1-CB 3.38Å; T250-P293 PolarHBondContact OG1-O 2.55Å; T250-I296 HydrophobicContact CG2-CB 4.33Å; T250-I296 HydrophobicContact CG2-CG2 3.91Å; T250-I296 WeakPolarHBondContact CG2-O 3.21Å; T250-I296 PolarHBondContact N-O 2.77Å; T250-I296 PolarHBondContact OG1-O 3.37Å; T250-F298 HydrophobicContact CG2-CD2 4.37Å; T250-F298 HydrophobicContact CG2-CE1 4.43Å; T250-F298 HydrophobicContact CG2-CE2 3.8Å; T250-F298 HydrophobicContact CG2-CZ 3.83Å; T250-V323 HydrophobicContact CG2-CG1 4.47Å; T250-Y374 HydrophobicContact CG2-CE1 4.26Å; T250-Y374 WeakPolarHBondContact OG1-CE1 3.45Å; T250-Y374 PolarHBondContact OG1-OH 3.12Å; T250-Y374 VanDerWaalsContact OG1-OH 3.05Å
251	F	97.9	Very high	97.1	Very high	28 Å²	28	29.7 Å²	29.7	12%	0.123	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-52.7	170.6	-176.6	-102.3	0	0	0	112.4	Y77 S249 F253 L254 K255 Y259 P293 E294	Y77-F251 HydrophobicContact CE1-CZ 4.15Å; S249-F251 PolarHBondContact O-N 3.17Å; F251-F253 PolarHBondContact O-N 3.19Å; F251-L254 PolarHBondContact O-N 3.09Å; F251-K255 HydrophobicContact CD1-CD 4.5Å; F251-K255 HydrophobicContact CE1-CD 3.84Å; F251-K255 HydrophobicContact CZ-CD 4.44Å; F251-K255 VanDerWaalsContact O-CB 3.28Å; F251-K255 WeakPolarHBondContact O-CB 3.44Å; F251-K255 PolarHBondContact O-N 3.35Å; F251-Y259 HydrophobicContact CE2-CE1 4.26Å; F251-Y259 HydrophobicContact CZ-CE1 4.32Å; F251-P293 HydrophobicContact CB-CB 3.96Å; F251-P293 PolarHBondContact N-O 3.32Å; F251-E294 HydrophobicContact CB-CB 4.44Å; F251-E294 HydrophobicContact CB-CG 3.8Å; F251-E294 HydrophobicContact CD1-CG 4.09Å; F251-E294 HydrophobicContact CG-CG 3.9Å
252	D	97.6	Very high	97	Very high	53 Å²	53	30 Å²	30	28%	0.283	16%	0.158	S	C	.	.	H	α-helix	trans	-66.8	-39.5	-176	-74.4	-63.4	0	0	0	111.2	L248 S249 K255 D256	L248-D252 HydrophobicContact CD2-CB 4.48Å; S249-D252 PolarHBondContact O-N 2.71Å; S249-D252 WeakPolarHBondContact OG-CB 3.48Å; S249-D252 PolarHBondContact OG-N 3.18Å; S249-D252 PolarHBondContact OG-OD2 3.15Å; D252-K255 PolarHBondContact O-N 3.07Å; D252-K255 IonicContact OD1-NZ 3.79Å; D252-K255 PolarHBondContact OD1-NZ 2.66Å; D252-D256 VanDerWaalsContact O-CB 3.31Å; D252-D256 WeakPolarHBondContact O-CB 3.01Å; D252-D256 PolarHBondContact O-N 3.42Å
253	F	98.1	Very high	96.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-46.4	172.6	-171.7	-75.8	0	0	0	112	L248 S249 F251 K255 D256 N257 Y262 F298 Y303 R316 V318	L248-F253 HydrophobicContact CB-CB 4.5Å; L248-F253 HydrophobicContact CD1-CD2 4.48Å; S249-F253 PolarHBondContact O-N 2.63Å; F251-F253 PolarHBondContact O-N 3.19Å; F253-K255 PolarHBondContact O-N 3.46Å; F253-D256 PolarHBondContact O-N 2.96Å; F253-N257 VanDerWaalsContact O-CB 3.32Å; F253-N257 WeakPolarHBondContact O-CB 3.2Å; F253-N257 PolarHBondContact O-N 3.06Å; F253-Y262 AromaticContact CD1-CE1 3.71Å; F253-Y262 HydrophobicContact CD1-CE1 3.71Å; F253-Y262 AromaticContact CD1-CZ 3.87Å; F253-Y262 WeakPolarHBondContact CD1-OH 3.27Å; F253-Y262 AromaticContact CE1-CE1 3.96Å; F253-Y262 HydrophobicContact CE1-CE1 3.96Å; F253-F298 HydrophobicContact CB-CD2 4.41Å; F253-F298 HydrophobicContact CB-CE2 3.82Å; F253-F298 HydrophobicContact CD2-CE2 4.22Å; F253-F298 AromaticContact CG-CE2 3.94Å; F253-F298 HydrophobicContact CG-CE2 3.94Å; F253-Y303 HydrophobicContact CE2-CD1 4.26Å; F253-Y303 HydrophobicContact CE2-CG 4.44Å; F253-R316 HydrophobicContact CE1-CB 4.29Å; F253-R316 HydrophobicContact CZ-CB 4.01Å; F253-V318 HydrophobicContact CD2-CG2 4.48Å; F253-V318 HydrophobicContact CE1-CB 4.29Å; F253-V318 HydrophobicContact CE2-CB 3.86Å; F253-V318 HydrophobicContact CE2-CG2 3.89Å; F253-V318 HydrophobicContact CZ-CB 3.67Å; F253-V318 HydrophobicContact CZ-CG2 4.24Å
254	L	96.8	Very high	96.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-45.2	177.7	175.6	60	0	0	0	111.5	T250 F251 N257 N258 Y259 L260 Y262 E373	T250-L254 WeakPolarHBondContact O-CB 3.22Å; T250-L254 PolarHBondContact O-N 3.34Å; F251-L254 PolarHBondContact O-N 3.09Å; L254-N257 CarbonylContact O-C 3.53Å; L254-N257 WeakPolarHBondContact O-CA 3.33Å; L254-N257 WeakPolarHBondContact O-CB 3.19Å; L254-N257 PolarHBondContact O-N 3.06Å; L254-N258 PolarHBondContact O-N 3.14Å; L254-Y259 HydrophobicContact CG-CD1 4.14Å; L254-Y259 VanDerWaalsContact O-CA 3.26Å; L254-Y259 WeakPolarHBondContact O-CA 3.47Å; L254-Y259 PolarHBondContact O-N 3.11Å; L254-L260 WeakPolarHBondContact CD1-O 3.49Å; L254-Y262 HydrophobicContact CB-CE2 4.22Å; L254-E373 HydrophobicContact CD2-CG 4.25Å
255	K	96.4	Very high	96.8	Very high	83 Å²	83	36.9 Å²	36.9	36%	0.361	20%	0.195	S	C	.	.	H	α-helix	trans	-60.9	-46	174.3	166.7	-178.3	139.6	-144.7	0	112.3	F251 D252 F253 N257 N258 Y259	F251-K255 HydrophobicContact CD1-CD 4.5Å; F251-K255 HydrophobicContact CE1-CD 3.84Å; F251-K255 HydrophobicContact CZ-CD 4.44Å; F251-K255 VanDerWaalsContact O-CB 3.28Å; F251-K255 WeakPolarHBondContact O-CB 3.44Å; F251-K255 PolarHBondContact O-N 3.35Å; D252-K255 PolarHBondContact O-N 3.07Å; D252-K255 IonicContact OD1-NZ 3.79Å; D252-K255 PolarHBondContact OD1-NZ 2.66Å; F253-K255 PolarHBondContact O-N 3.46Å; K255-N257 PolarHBondContact O-N 3.24Å; K255-N258 WeakPolarHBondContact O-CA 3.41Å; K255-N258 PolarHBondContact O-N 3.48Å; K255-Y259 HydrophobicContact CB-CE1 3.82Å; K255-Y259 HydrophobicContact CG-CE1 4.46Å; K255-Y259 HydrophobicContact CG-CE2 4.49Å
256	D	96.2	Very high	96.8	Very high	71 Å²	71	34.7 Å²	34.7	38%	0.38	18%	0.184	S	C	.	.	H	α-helix	trans	-65.4	-27.1	176	-115.3	47.1	0	0	0	112.4	D252 F253 N258 R316	D252-D256 VanDerWaalsContact O-CB 3.31Å; D252-D256 WeakPolarHBondContact O-CB 3.01Å; D252-D256 PolarHBondContact O-N 3.42Å; F253-D256 PolarHBondContact O-N 2.96Å; D256-N258 PolarHBondContact O-N 2.97Å; D256-R316 VanDerWaalsContact CG-NH2 3.27Å; D256-R316 PolarHBondContact O-NE 3.34Å; D256-R316 PolarHBondContact O-NH2 3.24Å; D256-R316 IonicContact OD2-CZ 2.82Å; D256-R316 IonicContact OD2-NH1 3.49Å; D256-R316 PolarHBondContact OD2-NH1 2.7Å; D256-R316 IonicContact OD2-NH2 2.86Å; D256-R316 PolarHBondContact OD2-NH2 3.45Å
257	N	95.5	Very high	96.8	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	16.1	169.4	-154.9	18.5	0	0	0	113	F253 L254 K255 Y259 L260 R316	F253-N257 VanDerWaalsContact O-CB 3.32Å; F253-N257 WeakPolarHBondContact O-CB 3.2Å; F253-N257 PolarHBondContact O-N 3.06Å; L254-N257 CarbonylContact O-C 3.53Å; L254-N257 WeakPolarHBondContact O-CA 3.33Å; L254-N257 WeakPolarHBondContact O-CB 3.19Å; L254-N257 PolarHBondContact O-N 3.06Å; K255-N257 PolarHBondContact O-N 3.24Å; N257-Y259 VanDerWaalsContact C-N 3.26Å; N257-Y259 PolarHBondContact O-N 3.41Å; N257-L260 PolarHBondContact ND2-O 3.15Å; N257-L260 VanDerWaalsContact O-CB 3.28Å; N257-L260 WeakPolarHBondContact O-CB 3.34Å; N257-L260 WeakPolarHBondContact O-CD1 3.47Å; N257-L260 WeakPolarHBondContact O-CG 3.44Å; N257-L260 PolarHBondContact O-N 3.09Å; N257-L260 VanDerWaalsContact O-N 3.17Å; N257-R316 HydrophobicContact CB-CB 4.47Å; N257-R316 PolarHBondContact ND2-O 2.82Å; N257-R316 WeakPolarHBondContact OD1-CB 3.46Å; N257-R316 PolarHBondContact OD1-N 3.04Å
258	N	94.7	Very high	96.9	Very high	81 Å²	81	32.9 Å²	32.9	43%	0.433	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	38.7	-177.6	-61.2	-97.1	0	0	0	113.3	L254 K255 D256 L260 R313	L254-N258 PolarHBondContact O-N 3.14Å; K255-N258 WeakPolarHBondContact O-CA 3.41Å; K255-N258 PolarHBondContact O-N 3.48Å; D256-N258 PolarHBondContact O-N 2.97Å; N258-L260 PolarHBondContact O-N 2.71Å; N258-R313 PolarHBondContact O-NH1 2.8Å; N258-R313 VanDerWaalsContact O-NH1 3.15Å
259	Y	95.3	Very high	96.9	Very high	34 Å²	34	32.5 Å²	32.5	13%	0.133	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	30.8	-177.4	-56.3	-79.2	0	0	0	114.2	Y73 Y77 F251 L254 K255 N257	Y73-Y259 HydrophobicContact CD1-CD2 4.28Å; Y73-Y259 HydrophobicContact CD1-CG 4.08Å; Y73-Y259 AromaticContact CE1-CD1 3.71Å; Y73-Y259 HydrophobicContact CE1-CD1 3.71Å; Y73-Y259 HydrophobicContact CE1-CD2 4.06Å; Y73-Y259 HydrophobicContact CE1-CE1 4.3Å; Y73-Y259 AromaticContact CE1-CG 3.57Å; Y73-Y259 HydrophobicContact CE1-CG 3.57Å; Y77-Y259 VanDerWaalsContact CD1-OH 3.3Å; Y77-Y259 WeakPolarHBondContact CD1-OH 3.44Å; Y77-Y259 HydrophobicContact CG-CE2 4.44Å; F251-Y259 HydrophobicContact CE2-CE1 4.26Å; F251-Y259 HydrophobicContact CZ-CE1 4.32Å; L254-Y259 HydrophobicContact CG-CD1 4.14Å; L254-Y259 VanDerWaalsContact O-CA 3.26Å; L254-Y259 WeakPolarHBondContact O-CA 3.47Å; L254-Y259 PolarHBondContact O-N 3.11Å; K255-Y259 HydrophobicContact CB-CE1 3.82Å; K255-Y259 HydrophobicContact CG-CE1 4.46Å; K255-Y259 HydrophobicContact CG-CE2 4.49Å; N257-Y259 VanDerWaalsContact C-N 3.26Å; N257-Y259 PolarHBondContact O-N 3.41Å
260	L	95	Very high	96.9	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.031	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-75.4	121.8	169.7	-67.5	175.9	0	0	0	109.8	L254 N257 N258 K311 E315	L254-L260 WeakPolarHBondContact CD1-O 3.49Å; N257-L260 PolarHBondContact ND2-O 3.15Å; N257-L260 VanDerWaalsContact O-CB 3.28Å; N257-L260 WeakPolarHBondContact O-CB 3.34Å; N257-L260 WeakPolarHBondContact O-CD1 3.47Å; N257-L260 WeakPolarHBondContact O-CG 3.44Å; N257-L260 PolarHBondContact O-N 3.09Å; N257-L260 VanDerWaalsContact O-N 3.17Å; N258-L260 PolarHBondContact O-N 2.71Å; L260-K311 HydrophobicContact CD2-CD 3.44Å; L260-K311 VanDerWaalsContact CD2-CD 3.44Å; L260-E315 HydrophobicContact CD1-CB 3.85Å; L260-E315 HydrophobicContact CD1-CG 3.77Å
261	P	96.2	Very high	96.9	Very high	39 Å²	39	32.2 Å²	32.2	25%	0.253	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-63.1	155	-175.8	23.1	-33.1	0	0	0	113.1	Y374 Y375	P261-Y374 WeakPolarHBondContact CB-O 3.42Å; P261-Y375 WeakPolarHBondContact CB-O 3.29Å
262	Y	97.1	Very high	97	Very high	8 Å²	8	33 Å²	33	3%	0.031	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-69.2	140.2	175.7	-67.9	-80.6	0	0	0	111.2	T250 F253 L254 V267 M270 F298 Y374	T250-Y262 PolarHBondContact O-OH 3.16Å; T250-Y262 VanDerWaalsContact O-OH 3.08Å; F253-Y262 AromaticContact CD1-CE1 3.71Å; F253-Y262 HydrophobicContact CD1-CE1 3.71Å; F253-Y262 AromaticContact CD1-CZ 3.87Å; F253-Y262 WeakPolarHBondContact CD1-OH 3.27Å; F253-Y262 AromaticContact CE1-CE1 3.96Å; F253-Y262 HydrophobicContact CE1-CE1 3.96Å; L254-Y262 HydrophobicContact CB-CE2 4.22Å; Y262-V267 WeakPolarHBondContact O-CG2 3.49Å; Y262-M270 HydrophobicContact CD1-CE 3.84Å; Y262-M270 HydrophobicContact CD2-CE 3.77Å; Y262-M270 HydrophobicContact CE1-CE 4.18Å; Y262-M270 HydrophobicContact CE2-CE 4.1Å; Y262-M270 HydrophobicContact CG-CE 3.62Å; Y262-F298 HydrophobicContact CE1-CE2 4.49Å; Y262-F298 AromaticContact CE1-CZ 3.85Å; Y262-F298 HydrophobicContact CE1-CZ 3.85Å; Y262-F298 AromaticContact CZ-CZ 3.95Å; Y262-F298 WeakPolarHBondContact OH-CE2 3.33Å; Y262-Y374 HydrophobicContact CD2-CD1 4.11Å; Y262-Y374 HydrophobicContact CD2-CG 4.14Å; Y262-Y374 HydrophobicContact CE2-CD1 4Å; Y262-Y374 HydrophobicContact CE2-CG 4.45Å; Y262-Y374 PolarHBondContact N-O 3.43Å
263	P	95.7	Very high	97	Very high	54 Å²	54	31.1 Å²	31.1	35%	0.351	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-54.1	142.9	169.3	-25.9	34	0	0	0	111.9	H265 Q266 V267	P263-H265 VanDerWaalsContact CB-CE1 3.47Å; P263-H265 WeakPolarHBondContact CB-CE1 3.45Å; P263-H265 PolarHBondContact O-N 3.1Å; P263-Q266 HydrophobicContact CB-CG 4.26Å; P263-Q266 HydrophobicContact CG-CG 4.42Å; P263-Q266 WeakPolarHBondContact O-CA 3.24Å; P263-Q266 WeakPolarHBondContact O-CB 3.49Å; P263-Q266 PolarHBondContact O-N 3.16Å; P263-V267 PolarHBondContact O-N 3.47Å
264	I	96.8	Very high	97.1	Very high	25 Å²	25	31.2 Å²	31.2	13%	0.128	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-26.3	-171.5	-170	158.7	0	0	0	114.5	Q266 R268 Y375 E448 H449 L452 F478	I264-Q266 VanDerWaalsContact C-N 3.34Å; I264-R268 WeakPolarHBondContact O-CB 3.43Å; I264-R268 PolarHBondContact O-N 2.95Å; I264-Y375 HydrophobicContact CD1-CE2 4.31Å; I264-E448 HydrophobicContact CD1-CG 4.22Å; I264-H449 HydrophobicContact CD1-CB 4.27Å; I264-L452 HydrophobicContact CD1-CB 4.31Å; I264-L452 HydrophobicContact CD1-CD2 3.8Å; I264-L452 HydrophobicContact CG1-CD2 4.19Å; I264-F478 HydrophobicContact CD1-CE2 4.22Å; I264-F478 HydrophobicContact CG1-CE2 4.11Å; I264-F478 HydrophobicContact CG1-CZ 4.27Å
265	H	96.3	Very high	97.1	Very high	112 Å²	112	31.1 Å²	31.1	52%	0.519	16%	0.155	S	C	.	.	H	α-helix	trans	-68.1	-33	172.4	65.6	-100	0	0	0	112.7	P263 H269	P263-H265 VanDerWaalsContact CB-CE1 3.47Å; P263-H265 WeakPolarHBondContact CB-CE1 3.45Å; P263-H265 PolarHBondContact O-N 3.1Å; H265-H269 PolarHBondContact O-N 3.39Å
266	Q	97.4	Very high	97.2	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-74.9	-44.4	174.6	-55.2	-171.7	1.4	0	0	110.5	P263 I264 R268 H269 M270 S317 T321	P263-Q266 HydrophobicContact CB-CG 4.26Å; P263-Q266 HydrophobicContact CG-CG 4.42Å; P263-Q266 WeakPolarHBondContact O-CA 3.24Å; P263-Q266 WeakPolarHBondContact O-CB 3.49Å; P263-Q266 PolarHBondContact O-N 3.16Å; I264-Q266 VanDerWaalsContact C-N 3.34Å; Q266-R268 VanDerWaalsContact C-N 3.27Å; Q266-R268 PolarHBondContact O-N 3.46Å; Q266-H269 PolarHBondContact O-N 3.41Å; Q266-M270 HydrophobicContact CB-CE 4.47Å; Q266-M270 WeakPolarHBondContact O-CG 3.43Å; Q266-M270 PolarHBondContact O-N 3.03Å; Q266-S317 PolarHBondContact NE2-OG 2.63Å; Q266-T321 HydrophobicContact CB-CG2 3.61Å; Q266-T321 HydrophobicContact CG-CG2 3.69Å
267	V	98.6	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-53.6	-46.8	171.7	-178	0	0	0	0	110.2	Y262 P263 H269 A271 I371 L452	Y262-V267 WeakPolarHBondContact O-CG2 3.49Å; P263-V267 PolarHBondContact O-N 3.47Å; V267-H269 PolarHBondContact O-N 3.18Å; V267-A271 WeakPolarHBondContact O-CB 3.18Å; V267-A271 PolarHBondContact O-N 3.38Å; V267-I371 HydrophobicContact CG1-CG2 4.1Å; V267-L452 HydrophobicContact CG1-CD1 4.21Å; V267-L452 HydrophobicContact CG1-CD2 4.34Å
268	R	98.5	Very high	97.5	Very high	10 Å²	10	26.3 Å²	26.3	4%	0.038	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-49.5	176.7	-176	-174.6	-72.5	109.1	8.3	112.8	I264 Q266 F272 E448 F478 F479 L482	I264-R268 WeakPolarHBondContact O-CB 3.43Å; I264-R268 PolarHBondContact O-N 2.95Å; Q266-R268 VanDerWaalsContact C-N 3.27Å; Q266-R268 PolarHBondContact O-N 3.46Å; R268-F272 WeakPolarHBondContact O-CB 3.45Å; R268-F272 PolarHBondContact O-N 3.19Å; R268-E448 IonicContact CZ-OE2 2.63Å; R268-E448 IonicContact NH1-OE2 3.74Å; R268-E448 PolarHBondContact NH1-OE2 3.46Å; R268-E448 VanDerWaalsContact NH1-OE2 3.11Å; R268-E448 VanDerWaalsContact NH2-CB 3.32Å; R268-E448 IonicContact NH2-OE2 2.77Å; R268-E448 PolarHBondContact NH2-OE2 2.84Å; R268-F478 HydrophobicContact CB-CE1 3.81Å; R268-F478 HydrophobicContact CB-CE2 4.29Å; R268-F478 HydrophobicContact CB-CZ 3.55Å; R268-F478 WeakPolarHBondContact CD-O 3.46Å; R268-F478 HydrophobicContact CG-CD1 4.33Å; R268-F478 HydrophobicContact CG-CE1 3.9Å; R268-F478 HydrophobicContact CG-CE2 4.46Å; R268-F478 HydrophobicContact CG-CZ 3.95Å; R268-F478 PolarHBondContact NE-O 3.43Å; R268-F479 HydrophobicContact CG-CD1 3.95Å; R268-F479 HydrophobicContact CG-CE1 4.4Å; R268-F479 WeakPolarHBondContact O-CE1 3.41Å; R268-L482 HydrophobicContact CG-CD1 3.94Å; R268-L482 HydrophobicContact CG-CG 4.09Å
269	H	98.3	Very high	97.7	Very high	60 Å²	60	25.3 Å²	25.3	28%	0.278	12%	0.123	S	C	.	.	H	α-helix	trans	-71.4	-39.4	-176.3	-170.4	-125.2	0	0	0	112.4	H265 Q266 V267 F272 Q273 T321	H265-H269 PolarHBondContact O-N 3.39Å; Q266-H269 PolarHBondContact O-N 3.41Å; V267-H269 PolarHBondContact O-N 3.18Å; H269-F272 PolarHBondContact O-N 3.37Å; H269-Q273 PolarHBondContact CE1-NE2 2.86Å; H269-Q273 VanDerWaalsContact CE1-NE2 3.32Å; H269-Q273 PolarHBondContact ND1-NE2 2.85Å; H269-Q273 WeakPolarHBondContact O-CG 3.4Å; H269-Q273 PolarHBondContact O-N 2.9Å; H269-Q273 VanDerWaalsContact O-N 3.15Å; H269-Q273 PolarHBondContact O-NE2 2.83Å; H269-T321 PolarHBondContact ND1-OG1 3.14Å
270	M	98.7	Very high	97.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-66.5	-41.9	174.4	-65.5	-172	-62.7	0	0	111.8	T250 Y262 Q266 F272 Q273 L274 F298 T321 V323 Y374	T250-M270 HydrophobicContact CG2-SD 4.19Å; Y262-M270 HydrophobicContact CD1-CE 3.84Å; Y262-M270 HydrophobicContact CD2-CE 3.77Å; Y262-M270 HydrophobicContact CE1-CE 4.18Å; Y262-M270 HydrophobicContact CE2-CE 4.1Å; Y262-M270 HydrophobicContact CG-CE 3.62Å; Q266-M270 HydrophobicContact CB-CE 4.47Å; Q266-M270 WeakPolarHBondContact O-CG 3.43Å; Q266-M270 PolarHBondContact O-N 3.03Å; M270-F272 PolarHBondContact O-N 2.84Å; M270-Q273 PolarHBondContact O-N 2.62Å; M270-L274 VanDerWaalsContact O-CB 3.27Å; M270-L274 WeakPolarHBondContact O-CB 3.44Å; M270-L274 PolarHBondContact O-N 2.94Å; M270-F298 HydrophobicContact SD-CE1 3.58Å; M270-F298 VanDerWaalsContact SD-CE1 3.58Å; M270-F298 HydrophobicContact SD-CZ 3.72Å; M270-T321 HydrophobicContact CG-CG2 4.5Å; M270-V323 HydrophobicContact CG-CG1 4.21Å; M270-V323 HydrophobicContact SD-CG1 4.35Å; M270-Y374 HydrophobicContact CB-CD2 4.45Å; M270-Y374 HydrophobicContact CB-CE2 4.1Å; M270-Y374 HydrophobicContact CE-CD2 3.9Å; M270-Y374 HydrophobicContact CE-CE2 4.18Å; M270-Y374 HydrophobicContact CE-CG 4.22Å
271	A	98.8	Very high	98	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-42.4	175.8	0	0	0	0	0	112.6	V267 L274 C275 I371 F479	V267-A271 WeakPolarHBondContact O-CB 3.18Å; V267-A271 PolarHBondContact O-N 3.38Å; A271-L274 PolarHBondContact O-N 3.34Å; A271-C275 WeakPolarHBondContact O-CB 3.23Å; A271-C275 PolarHBondContact O-N 3.31Å; A271-C275 PolarHBondContact O-SG 3.41Å; A271-I371 HydrophobicContact CB-CD1 3.59Å; A271-I371 HydrophobicContact CB-CG1 3.81Å; A271-F479 HydrophobicContact CB-CE1 3.92Å; A271-F479 HydrophobicContact CB-CZ 4.01Å
272	F	98.7	Very high	98.2	Very high	45 Å²	45	23.4 Å²	23.4	20%	0.197	11%	0.112	C	C	.	.	H	α-helix	trans	-62.3	-50.3	177.3	-176.8	-93.5	0	0	0	111.7	R268 H269 M270 L274 C275 Q276 L474 F479 L482	R268-F272 WeakPolarHBondContact O-CB 3.45Å; R268-F272 PolarHBondContact O-N 3.19Å; H269-F272 PolarHBondContact O-N 3.37Å; M270-F272 PolarHBondContact O-N 2.84Å; F272-L274 VanDerWaalsContact C-N 3.33Å; F272-L274 PolarHBondContact O-N 3.08Å; F272-C275 PolarHBondContact O-N 3.24Å; F272-Q276 WeakPolarHBondContact O-CB 3.26Å; F272-Q276 PolarHBondContact O-N 3.16Å; F272-L474 HydrophobicContact CD2-CD2 3.68Å; F272-L474 HydrophobicContact CE2-CD2 3.57Å; F272-L474 HydrophobicContact CG-CD2 4.23Å; F272-L474 HydrophobicContact CZ-CD2 4.03Å; F272-F479 HydrophobicContact CB-CD1 3.78Å; F272-F479 HydrophobicContact CB-CE1 3.73Å; F272-F479 HydrophobicContact CB-CG 4.47Å; F272-F479 HydrophobicContact CB-CZ 4.36Å; F272-F479 HydrophobicContact CD2-CB 3.92Å; F272-F479 AromaticContact CD2-CD1 3.89Å; F272-F479 HydrophobicContact CD2-CD1 3.89Å; F272-F479 HydrophobicContact CD2-CD2 4.12Å; F272-F479 HydrophobicContact CD2-CE1 4.43Å; F272-F479 AromaticContact CD2-CG 3.72Å; F272-F479 HydrophobicContact CD2-CG 3.72Å; F272-F479 HydrophobicContact CE2-CB 4.4Å; F272-F479 HydrophobicContact CG-CD1 4.33Å; F272-L482 HydrophobicContact CB-CD1 3.62Å; F272-L482 HydrophobicContact CD1-CD1 4.35Å; F272-L482 HydrophobicContact CD2-CD1 4.18Å; F272-L482 HydrophobicContact CG-CD1 3.79Å
273	Q	98.6	Very high	98.2	Very high	13 Å²	13	27.3 Å²	27.3	6%	0.061	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-39.6	178.3	-71.6	171.4	104.6	0	0	112.4	L225 H269 M270 Q276 A277 T321 V323	L225-Q273 HydrophobicContact CD1-CB 3.55Å; L225-Q273 HydrophobicContact CD1-CG 3.64Å; H269-Q273 PolarHBondContact CE1-NE2 2.86Å; H269-Q273 VanDerWaalsContact CE1-NE2 3.32Å; H269-Q273 PolarHBondContact ND1-NE2 2.85Å; H269-Q273 WeakPolarHBondContact O-CG 3.4Å; H269-Q273 PolarHBondContact O-N 2.9Å; H269-Q273 VanDerWaalsContact O-N 3.15Å; H269-Q273 PolarHBondContact O-NE2 2.83Å; M270-Q273 PolarHBondContact O-N 2.62Å; Q273-Q276 PolarHBondContact O-N 3.23Å; Q273-A277 WeakPolarHBondContact O-CB 3.43Å; Q273-A277 PolarHBondContact O-N 3.48Å; Q273-T321 PolarHBondContact NE2-O 3.09Å; Q273-V323 HydrophobicContact CB-CG2 3.9Å
274	L	98.6	Very high	98.3	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-64.9	-42.5	175.9	-178	59.9	0	0	0	111.7	M270 A271 F272 V278 I296 V325 I367 I370	M270-L274 VanDerWaalsContact O-CB 3.27Å; M270-L274 WeakPolarHBondContact O-CB 3.44Å; M270-L274 PolarHBondContact O-N 2.94Å; A271-L274 PolarHBondContact O-N 3.34Å; F272-L274 VanDerWaalsContact C-N 3.33Å; F272-L274 PolarHBondContact O-N 3.08Å; L274-V278 HydrophobicContact CD1-CG2 4Å; L274-V278 WeakPolarHBondContact O-CB 3.42Å; L274-V278 WeakPolarHBondContact O-CG2 3.3Å; L274-V278 PolarHBondContact O-N 3.18Å; L274-I296 HydrophobicContact CD1-CD1 3.66Å; L274-I296 HydrophobicContact CD1-CG1 4.13Å; L274-I296 HydrophobicContact CD2-CD1 3.66Å; L274-I296 HydrophobicContact CG-CD1 4.29Å; L274-V325 HydrophobicContact CD1-CG2 3.87Å; L274-I367 HydrophobicContact CD2-CB 4.39Å; L274-I367 HydrophobicContact CD2-CG1 3.9Å; L274-I367 HydrophobicContact CD2-CG2 4.07Å; L274-I367 HydrophobicContact CG-CD1 4.25Å; L274-I367 HydrophobicContact CG-CG1 3.93Å; L274-I367 HydrophobicContact CG-CG2 4.43Å; L274-I370 HydrophobicContact CD2-CG2 4.07Å
275	C	98.8	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-40.4	173.5	-66.3	0	0	0	0	111.8	A271 F272 K279 L470 L474	A271-C275 WeakPolarHBondContact O-CB 3.23Å; A271-C275 PolarHBondContact O-N 3.31Å; A271-C275 PolarHBondContact O-SG 3.41Å; F272-C275 PolarHBondContact O-N 3.24Å; C275-K279 WeakPolarHBondContact O-CB 3.44Å; C275-K279 PolarHBondContact O-N 3.22Å; C275-L470 HydrophobicContact CB-CD2 4.35Å; C275-L474 HydrophobicContact CB-CD2 3.66Å; C275-L474 HydrophobicContact CB-CG 3.99Å
276	Q	98.4	Very high	98.5	Very high	56 Å²	56	26.1 Å²	26.1	26%	0.262	12%	0.123	S	C	.	.	H	α-helix	trans	-62.7	-50.9	176.6	175.7	178.1	-14.8	0	0	111.6	K223 F272 Q273 K279 F280 L474	K223-Q276 PolarHBondContact O-NE2 3.2Å; F272-Q276 WeakPolarHBondContact O-CB 3.26Å; F272-Q276 PolarHBondContact O-N 3.16Å; Q273-Q276 PolarHBondContact O-N 3.23Å; Q276-K279 PolarHBondContact O-N 2.94Å; Q276-F280 PolarHBondContact O-N 2.72Å; Q276-L474 HydrophobicContact CB-CD2 4.35Å
277	A	98.7	Very high	98.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-49.5	-178.6	0	0	0	0	0	112.1	N224 L225 Q273 K279 F280 L281 V325	N224-A277 WeakPolarHBondContact O-CA 3.49Å; N224-A277 WeakPolarHBondContact O-CB 3.34Å; L225-A277 HydrophobicContact CB-CB 4.27Å; Q273-A277 WeakPolarHBondContact O-CB 3.43Å; Q273-A277 PolarHBondContact O-N 3.48Å; A277-K279 PolarHBondContact O-N 3.46Å; A277-F280 WeakPolarHBondContact O-CB 3.34Å; A277-F280 PolarHBondContact O-N 2.9Å; A277-L281 PolarHBondContact O-N 3.15Å; A277-V325 HydrophobicContact CB-CG2 3.71Å
278	V	98.8	Very high	98.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-73.9	-29.1	-176.2	-179	0	0	0	0	111.4	L274 F280 L281 H282 L291 V325 D363 I367 L470	L274-V278 HydrophobicContact CD1-CG2 4Å; L274-V278 WeakPolarHBondContact O-CB 3.42Å; L274-V278 WeakPolarHBondContact O-CG2 3.3Å; L274-V278 PolarHBondContact O-N 3.18Å; V278-F280 VanDerWaalsContact C-N 3.31Å; V278-F280 PolarHBondContact O-N 3.47Å; V278-L281 HydrophobicContact CG2-CD1 4.43Å; V278-L281 WeakPolarHBondContact O-CB 3.28Å; V278-L281 PolarHBondContact O-N 3.35Å; V278-H282 WeakPolarHBondContact CG1-NE2 3.33Å; V278-H282 PolarHBondContact O-CD2 3.41Å; V278-H282 VanDerWaalsContact O-CG 3.32Å; V278-H282 PolarHBondContact O-N 2.71Å; V278-L291 HydrophobicContact CB-CD1 4.49Å; V278-L291 HydrophobicContact CG1-CD1 3.99Å; V278-L291 HydrophobicContact CG2-CD1 3.72Å; V278-L291 HydrophobicContact CG2-CD2 4.04Å; V278-V325 HydrophobicContact CG2-CG2 4.42Å; V278-D363 HydrophobicContact CG1-CB 3.89Å; V278-I367 HydrophobicContact CB-CD1 4Å; V278-I367 HydrophobicContact CG1-CD1 4.06Å; V278-I367 HydrophobicContact CG2-CD1 4.13Å; V278-L470 HydrophobicContact CB-CD1 3.58Å; V278-L470 HydrophobicContact CG1-CD1 3.51Å
279	K	98.7	Very high	98.5	Very high	59 Å²	59	25.4 Å²	25.4	26%	0.257	12%	0.12	S	C	.	.	H	α-helix	trans	-59.8	-41.9	169.7	-170.4	-164.9	179.9	-54.9	0	111.4	C275 Q276 A277 L281 H282 D283 L470 L474	C275-K279 WeakPolarHBondContact O-CB 3.44Å; C275-K279 PolarHBondContact O-N 3.22Å; Q276-K279 PolarHBondContact O-N 2.94Å; A277-K279 PolarHBondContact O-N 3.46Å; K279-L281 VanDerWaalsContact C-N 3.28Å; K279-L281 PolarHBondContact O-N 3.26Å; K279-H282 PolarHBondContact O-N 2.69Å; K279-H282 VanDerWaalsContact O-N 3.14Å; K279-D283 IonicContact NZ-OD1 2.6Å; K279-D283 PolarHBondContact NZ-OD1 3.48Å; K279-D283 IonicContact NZ-OD2 3.57Å; K279-D283 PolarHBondContact NZ-OD2 3.44Å; K279-D283 WeakPolarHBondContact O-CB 3.33Å; K279-D283 VanDerWaalsContact O-CG 3.25Å; K279-D283 PolarHBondContact O-N 3.13Å; K279-L470 HydrophobicContact CB-CB 3.81Å; K279-L470 HydrophobicContact CB-CD1 4.45Å; K279-L470 HydrophobicContact CG-CB 4.2Å; K279-L474 HydrophobicContact CD-CD1 3.91Å
280	F	98.7	Very high	98.5	Very high	17 Å²	17	23.3 Å²	23.3	8%	0.075	11%	0.111	C	C	.	.	H	α-helix	trans	-61.7	-35.5	177.4	161.2	-92.5	0	0	0	112.4	I215 K218 D219 N224 Q276 A277 V278 N284	I215-F280 HydrophobicContact CG1-CE1 4.46Å; I215-F280 HydrophobicContact CG2-CE1 4.21Å; K218-F280 HydrophobicContact CB-CE2 3.9Å; K218-F280 HydrophobicContact CB-CZ 3.64Å; D219-F280 HydrophobicContact CB-CE1 4.42Å; D219-F280 HydrophobicContact CB-CE2 3.89Å; D219-F280 HydrophobicContact CB-CZ 3.63Å; N224-F280 HydrophobicContact CB-CB 3.63Å; N224-F280 HydrophobicContact CB-CD1 3.76Å; N224-F280 HydrophobicContact CB-CD2 3.82Å; N224-F280 HydrophobicContact CB-CE1 4.35Å; N224-F280 HydrophobicContact CB-CE2 4.38Å; N224-F280 HydrophobicContact CB-CG 3.46Å; N224-F280 VanDerWaalsContact CB-CG 3.46Å; Q276-F280 PolarHBondContact O-N 2.72Å; A277-F280 WeakPolarHBondContact O-CB 3.34Å; A277-F280 PolarHBondContact O-N 2.9Å; V278-F280 VanDerWaalsContact C-N 3.31Å; V278-F280 PolarHBondContact O-N 3.47Å; F280-N284 WeakPolarHBondContact CE2-ND2 3.43Å; F280-N284 PolarHBondContact O-N 3.3Å; F280-N284 PolarHBondContact O-ND2 2.92Å
281	L	98.6	Very high	98.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-48.9	171.3	-49.9	175.6	0	0	0	110.7	I215 A277 V278 K279 D283 N284 K285 L286 H288 F328	I215-L281 HydrophobicContact CD1-CD2 3.89Å; I215-L281 HydrophobicContact CG1-CD2 4.23Å; A277-L281 PolarHBondContact O-N 3.15Å; V278-L281 HydrophobicContact CG2-CD1 4.43Å; V278-L281 WeakPolarHBondContact O-CB 3.28Å; V278-L281 PolarHBondContact O-N 3.35Å; K279-L281 VanDerWaalsContact C-N 3.28Å; K279-L281 PolarHBondContact O-N 3.26Å; L281-D283 PolarHBondContact O-N 3.15Å; L281-N284 CarbonylContact O-C 3.58Å; L281-N284 WeakPolarHBondContact O-CA 3.37Å; L281-N284 PolarHBondContact O-N 3.07Å; L281-K285 PolarHBondContact O-N 3.02Å; L281-L286 CarbonylContact C-O 3.51Å; L281-L286 HydrophobicContact CB-CB 4.38Å; L281-L286 HydrophobicContact CB-CD2 4.48Å; L281-L286 HydrophobicContact CD2-CD2 4.01Å; L281-L286 PolarHBondContact O-N 3.07Å; L281-L286 VanDerWaalsContact O-O 3.14Å; L281-H288 HydrophobicContact CD1-CB 4.06Å; L281-F328 HydrophobicContact CD1-CE1 3.79Å; L281-F328 HydrophobicContact CD2-CE1 3.7Å; L281-F328 HydrophobicContact CD2-CZ 4.34Å; L281-F328 HydrophobicContact CG-CE1 4.41Å
282	H	98.6	Very high	98.5	Very high	22 Å²	22	24.3 Å²	24.3	10%	0.102	12%	0.115	C	C	.	.	H	α-helix	trans	-62.7	-38.9	-178.9	-66.1	-179.6	0	0	0	113	V278 K279 N284 K285 L286 Q360 D363	V278-H282 WeakPolarHBondContact CG1-NE2 3.33Å; V278-H282 PolarHBondContact O-CD2 3.41Å; V278-H282 VanDerWaalsContact O-CG 3.32Å; V278-H282 PolarHBondContact O-N 2.71Å; K279-H282 PolarHBondContact O-N 2.69Å; K279-H282 VanDerWaalsContact O-N 3.14Å; H282-N284 VanDerWaalsContact C-N 3.28Å; H282-N284 PolarHBondContact O-N 3.03Å; H282-K285 PolarHBondContact O-N 3.21Å; H282-L286 PolarHBondContact CD2-O 3.34Å; H282-L286 PolarHBondContact N-O 3.43Å; H282-Q360 HydrophobicContact CB-CB 4.35Å; H282-Q360 HydrophobicContact CB-CG 3.87Å; H282-Q360 PolarHBondContact CE1-O 2.89Å; H282-Q360 PolarHBondContact NE2-O 3.26Å; H282-D363 IonicContact CD2-OD2 2.77Å; H282-D363 IonicContact CE1-OD2 2.81Å; H282-D363 IonicContact NE2-OD2 3.68Å; H282-D363 PolarHBondContact NE2-OD2 2.84Å
283	D	98.3	Very high	98.5	Very high	90 Å²	90	22.2 Å²	22.2	48%	0.481	11%	0.106	S	C	.	.	H	α-helix	trans	-61.1	-39	173.4	-71.4	-17.4	0	0	0	111	K279 L281 K285	K279-D283 IonicContact NZ-OD1 2.6Å; K279-D283 PolarHBondContact NZ-OD1 3.48Å; K279-D283 IonicContact NZ-OD2 3.57Å; K279-D283 PolarHBondContact NZ-OD2 3.44Å; K279-D283 WeakPolarHBondContact O-CB 3.33Å; K279-D283 VanDerWaalsContact O-CG 3.25Å; K279-D283 PolarHBondContact O-N 3.13Å; L281-D283 PolarHBondContact O-N 3.15Å; D283-K285 VanDerWaalsContact C-N 3.28Å; D283-K285 PolarHBondContact O-N 3.25Å
284	N	98	Very high	98.4	Very high	47 Å²	47	24.4 Å²	24.4	25%	0.251	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	14.8	176.7	-73.5	-77.5	0	0	0	114.5	K218 F280 L281 H282 L286	K218-N284 VanDerWaalsContact CD-OD1 3.29Å; K218-N284 WeakPolarHBondContact CD-OD1 3.26Å; K218-N284 WeakPolarHBondContact CE-OD1 3.34Å; K218-N284 WeakPolarHBondContact CG-OD1 3.41Å; F280-N284 WeakPolarHBondContact CE2-ND2 3.43Å; F280-N284 PolarHBondContact O-N 3.3Å; F280-N284 PolarHBondContact O-ND2 2.92Å; L281-N284 CarbonylContact O-C 3.58Å; L281-N284 WeakPolarHBondContact O-CA 3.37Å; L281-N284 PolarHBondContact O-N 3.07Å; H282-N284 VanDerWaalsContact C-N 3.28Å; H282-N284 PolarHBondContact O-N 3.03Å; N284-L286 VanDerWaalsContact C-N 3.32Å; N284-L286 PolarHBondContact O-N 2.96Å
285	K	98.1	Very high	98.4	Very high	114 Å²	114	24.9 Å²	24.9	50%	0.496	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	35.9	175.3	-49.7	-60.6	159.7	-156.7	0	114.1	L281 H282 D283 F333 D334	L281-K285 PolarHBondContact O-N 3.02Å; H282-K285 PolarHBondContact O-N 3.21Å; D283-K285 VanDerWaalsContact C-N 3.28Å; D283-K285 PolarHBondContact O-N 3.25Å; K285-F333 CarbonylContact O-C 3.56Å; K285-F333 WeakPolarHBondContact O-CA 3.39Å; K285-F333 WeakPolarHBondContact O-CD1 3.34Å; K285-D334 HydrophobicContact CB-CB 4.18Å; K285-D334 WeakPolarHBondContact CD-OD2 3.49Å; K285-D334 PolarHBondContact O-N 2.98Å
286	L	98.2	Very high	98.4	Very high	4 Å²	4	25 Å²	25	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.2	178.7	-177.5	69	0	0	0	109.3	V211 I215 L281 H282 N284 A331 F333	V211-L286 HydrophobicContact CG1-CD1 4.2Å; V211-L286 HydrophobicContact CG1-CD2 3.59Å; V211-L286 HydrophobicContact CG2-CD1 4.17Å; I215-L286 HydrophobicContact CD1-CD2 4.19Å; I215-L286 HydrophobicContact CG1-CD2 4.4Å; L281-L286 CarbonylContact C-O 3.51Å; L281-L286 HydrophobicContact CB-CB 4.38Å; L281-L286 HydrophobicContact CB-CD2 4.48Å; L281-L286 HydrophobicContact CD2-CD2 4.01Å; L281-L286 PolarHBondContact O-N 3.07Å; L281-L286 VanDerWaalsContact O-O 3.14Å; H282-L286 PolarHBondContact CD2-O 3.34Å; H282-L286 PolarHBondContact N-O 3.43Å; N284-L286 VanDerWaalsContact C-N 3.32Å; N284-L286 PolarHBondContact O-N 2.96Å; L286-A331 HydrophobicContact CD1-CB 3.84Å; L286-A331 HydrophobicContact CG-CB 4.26Å; L286-F333 HydrophobicContact CB-CD1 4.01Å; L286-F333 HydrophobicContact CB-CE1 4.04Å; L286-F333 HydrophobicContact CD1-CD1 3.88Å; L286-F333 HydrophobicContact CD1-CD2 4.06Å; L286-F333 HydrophobicContact CD1-CE1 3.93Å; L286-F333 HydrophobicContact CD1-CE2 4.11Å; L286-F333 HydrophobicContact CD1-CG 3.95Å; L286-F333 HydrophobicContact CD1-CZ 4.04Å; L286-F333 HydrophobicContact CG-CE1 4.41Å
287	T	98.6	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.9	171.4	-53.7	0	0	0	0	108.2	T289 A331 T332 W358 Q360 D363	T287-T289 HydrophobicContact CG2-CG2 3.98Å; T287-A331 CarbonylContact O-C 3.45Å; T287-A331 WeakPolarHBondContact O-CA 3.36Å; T287-T332 PolarHBondContact N-O 3.47Å; T287-T332 PolarHBondContact O-N 3.24Å; T287-W358 HydrophobicContact CG2-CE3 4.27Å; T287-W358 HydrophobicContact CG2-CZ3 4.03Å; T287-Q360 PolarHBondContact OG1-N 2.94Å; T287-D363 WeakPolarHBondContact CG2-OD2 3.5Å
288	H	98.6	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.			trans	-78	-34.4	-176.9	-170.6	-59.7	0	0	0	112.5	L281 D290 L291 V325 V326 F328 S330 D363	L281-H288 HydrophobicContact CD1-CB 4.06Å; H288-D290 PolarHBondContact O-N 3.26Å; H288-L291 HydrophobicContact CB-CD1 4.41Å; H288-L291 HydrophobicContact CB-CD2 4.08Å; H288-L291 HydrophobicContact CB-CG 3.92Å; H288-V325 VanDerWaalsContact CD2-CG1 3.48Å; H288-V325 WeakPolarHBondContact CD2-CG1 3.42Å; H288-V325 WeakPolarHBondContact NE2-CG1 3.4Å; H288-V326 PolarHBondContact NE2-O 3.06Å; H288-F328 AromaticContact CD2-CE1 3.71Å; H288-S330 CarbonylContact O-C 3.51Å; H288-D363 PolarHBondContact N-OD1 2.84Å; H288-D363 PolarHBondContact N-OD2 3.4Å
289	T	98.1	Very high	98.4	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	13%	0.133	C	C	.	.			trans	64.9	-38.3	178.5	94.3	0	0	0	0	116.6	T287 S330 V342 S343 W358 D363	T287-T289 HydrophobicContact CG2-CG2 3.98Å; T289-S330 WeakPolarHBondContact CG2-O 3.22Å; T289-S330 PolarHBondContact OG1-O 3.29Å; T289-V342 HydrophobicContact CG2-CG1 4.5Å; T289-S343 WeakPolarHBondContact O-CA 3.41Å; T289-S343 WeakPolarHBondContact O-CB 3.27Å; T289-S343 PolarHBondContact O-N 3.18Å; T289-S343 PolarHBondContact O-OG 3.25Å; T289-W358 HydrophobicContact CG2-CE3 4.38Å; T289-W358 HydrophobicContact CG2-CH2 3.61Å; T289-W358 HydrophobicContact CG2-CZ2 4.49Å; T289-W358 HydrophobicContact CG2-CZ3 3.54Å; T289-D363 WeakPolarHBondContact CA-OD1 3.44Å; T289-D363 PolarHBondContact N-OD1 3.11Å
290	D	97.8	Very high	98.3	Very high	16 Å²	16	27.5 Å²	27.5	9%	0.086	14%	0.139	C	C	.	.			trans	-114.5	52.1	179	-162.4	37.6	0	0	0	114.5	H288 K292 N295 T344	H288-D290 PolarHBondContact O-N 3.26Å; D290-K292 IonicContact OD2-NZ 2.62Å; D290-K292 PolarHBondContact OD2-NZ 3.04Å; D290-N295 PolarHBondContact O-ND2 2.92Å; D290-T344 WeakPolarHBondContact OD1-CB 3.3Å; D290-T344 PolarHBondContact OD1-N 3.03Å; D290-T344 PolarHBondContact OD1-OG1 3.21Å; D290-T344 PolarHBondContact OD2-OG1 3.43Å
291	L	98.8	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.			trans	-73	129.4	168.4	-68.2	174.2	0	0	0	110.9	V278 H288 V325 D363 I367 I370	V278-L291 HydrophobicContact CB-CD1 4.49Å; V278-L291 HydrophobicContact CG1-CD1 3.99Å; V278-L291 HydrophobicContact CG2-CD1 3.72Å; V278-L291 HydrophobicContact CG2-CD2 4.04Å; H288-L291 HydrophobicContact CB-CD1 4.41Å; H288-L291 HydrophobicContact CB-CD2 4.08Å; H288-L291 HydrophobicContact CB-CG 3.92Å; L291-V325 HydrophobicContact CD2-CG1 3.89Å; L291-D363 HydrophobicContact CD1-CB 3.66Å; L291-I367 HydrophobicContact CD1-CD1 4.05Å; L291-I367 HydrophobicContact CD1-CG1 3.91Å; L291-I370 HydrophobicContact CB-CD1 4.08Å
292	K	98.6	Very high	98.2	Very high	22 Å²	22	32 Å²	32	10%	0.096	17%	0.165	C	C	.	.			trans	-160.8	160.3	179.9	60.3	-176.6	-172.1	-97.8	0	110.3	D290 E294 N295 T344 Y347	D290-K292 IonicContact OD2-NZ 2.62Å; D290-K292 PolarHBondContact OD2-NZ 3.04Å; K292-E294 WeakPolarHBondContact CB-OE2 3.29Å; K292-E294 HydrophobicContact CD-CB 4.2Å; K292-E294 HydrophobicContact CG-CB 4.14Å; K292-E294 WeakPolarHBondContact CG-OE2 3.33Å; K292-E294 PolarHBondContact O-N 3.19Å; K292-N295 VanDerWaalsContact CE-OD1 3.22Å; K292-N295 WeakPolarHBondContact CE-OD1 3.42Å; K292-N295 HydrophobicContact CG-CB 3.87Å; K292-N295 PolarHBondContact NZ-ND2 3Å; K292-N295 PolarHBondContact NZ-OD1 3.49Å; K292-N295 WeakPolarHBondContact O-CA 3.3Å; K292-N295 PolarHBondContact O-N 3.3Å; K292-T344 HydrophobicContact CD-CG2 4.23Å; K292-Y347 HydrophobicContact CB-CD2 3.55Å; K292-Y347 HydrophobicContact CB-CE2 3.36Å; K292-Y347 HydrophobicContact CB-CG 4.39Å
293	P	98.6	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-59.2	-26.4	179.4	-25.3	37.7	0	0	0	114.2	T250 F251 N295 I296 Y347 I370 Y374	T250-P293 PolarHBondContact N-O 3.17Å; T250-P293 WeakPolarHBondContact OG1-CA 3.36Å; T250-P293 WeakPolarHBondContact OG1-CB 3.38Å; T250-P293 PolarHBondContact OG1-O 2.55Å; F251-P293 HydrophobicContact CB-CB 3.96Å; F251-P293 PolarHBondContact N-O 3.32Å; P293-N295 VanDerWaalsContact C-N 3.31Å; P293-I296 PolarHBondContact O-N 3.24Å; P293-Y347 WeakPolarHBondContact CD-OH 3.43Å; P293-Y347 HydrophobicContact CG-CE1 4.25Å; P293-I370 HydrophobicContact CG-CG1 4.16Å; P293-I370 HydrophobicContact CG-CG2 4.39Å; P293-Y374 HydrophobicContact CB-CE1 4.13Å; P293-Y374 HydrophobicContact CG-CE1 4.39Å
294	E	97.5	Very high	97.9	Very high	60 Å²	60	36.9 Å²	36.9	28%	0.28	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-67.4	-31.1	172.5	-54	93.8	126.2	0	0	112.5	S249 F251 K292 I296 L297	S249-E294 WeakPolarHBondContact CB-O 3.5Å; F251-E294 HydrophobicContact CB-CB 4.44Å; F251-E294 HydrophobicContact CB-CG 3.8Å; F251-E294 HydrophobicContact CD1-CG 4.09Å; F251-E294 HydrophobicContact CG-CG 3.9Å; K292-E294 WeakPolarHBondContact CB-OE2 3.29Å; K292-E294 HydrophobicContact CD-CB 4.2Å; K292-E294 HydrophobicContact CG-CB 4.14Å; K292-E294 WeakPolarHBondContact CG-OE2 3.33Å; K292-E294 PolarHBondContact O-N 3.19Å; E294-I296 VanDerWaalsContact C-N 3.33Å; E294-L297 WeakPolarHBondContact O-CD1 3.45Å
295	N	98.4	Very high	97.8	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.064	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-94.6	16	-178.8	-73.4	8.2	0	0	0	112.6	D290 K292 P293 V326 D327	D290-N295 PolarHBondContact O-ND2 2.92Å; K292-N295 VanDerWaalsContact CE-OD1 3.22Å; K292-N295 WeakPolarHBondContact CE-OD1 3.42Å; K292-N295 HydrophobicContact CG-CB 3.87Å; K292-N295 PolarHBondContact NZ-ND2 3Å; K292-N295 PolarHBondContact NZ-OD1 3.49Å; K292-N295 WeakPolarHBondContact O-CA 3.3Å; K292-N295 PolarHBondContact O-N 3.3Å; P293-N295 VanDerWaalsContact C-N 3.31Å; N295-V326 HydrophobicContact CB-CG2 4.35Å; N295-V326 PolarHBondContact O-N 2.85Å; N295-D327 PolarHBondContact ND2-OD2 3.34Å
296	I	98.8	Very high	97.5	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	113.3	172.9	-59.8	163.8	0	0	0	107.4	S249 T250 L274 P293 E294 V323 R324 I370 Y374	S249-I296 CarbonylContact C-O 3.53Å; S249-I296 WeakPolarHBondContact CA-O 3.44Å; T250-I296 HydrophobicContact CG2-CB 4.33Å; T250-I296 HydrophobicContact CG2-CG2 3.91Å; T250-I296 WeakPolarHBondContact CG2-O 3.21Å; T250-I296 PolarHBondContact N-O 2.77Å; T250-I296 PolarHBondContact OG1-O 3.37Å; L274-I296 HydrophobicContact CD1-CD1 3.66Å; L274-I296 HydrophobicContact CD1-CG1 4.13Å; L274-I296 HydrophobicContact CD2-CD1 3.66Å; L274-I296 HydrophobicContact CG-CD1 4.29Å; P293-I296 PolarHBondContact O-N 3.24Å; E294-I296 VanDerWaalsContact C-N 3.33Å; I296-V323 HydrophobicContact CG2-CB 3.98Å; I296-V323 HydrophobicContact CG2-CG1 4.15Å; I296-V323 HydrophobicContact CG2-CG2 4.25Å; I296-R324 WeakPolarHBondContact CA-O 3.23Å; I296-I370 HydrophobicContact CD1-CD1 4.07Å; I296-I370 HydrophobicContact CD1-CG2 3.97Å; I296-Y374 VanDerWaalsContact CD1-OH 3.26Å; I296-Y374 WeakPolarHBondContact CD1-OH 3.48Å
297	L	98.7	Very high	97.2	Very high	36 Å²	36	43.5 Å²	43.5	19%	0.188	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	144.8	-175.2	-84.5	62.4	0	0	0	111	L246 E294 V323 R324 V326	L246-L297 HydrophobicContact CB-CB 4.12Å; L246-L297 HydrophobicContact CB-CD2 3.99Å; L246-L297 HydrophobicContact CD1-CB 3.96Å; L246-L297 HydrophobicContact CD1-CD2 4.16Å; E294-L297 WeakPolarHBondContact O-CD1 3.45Å; L297-V323 CarbonylContact O-C 3.5Å; L297-V323 WeakPolarHBondContact O-CA 3.22Å; L297-V323 WeakPolarHBondContact O-CB 3.37Å; L297-R324 PolarHBondContact N-O 3.42Å; L297-R324 PolarHBondContact O-N 3.23Å; L297-V326 HydrophobicContact CB-CG1 4.33Å; L297-V326 HydrophobicContact CD1-CG1 4.08Å; L297-V326 HydrophobicContact CD1-CG2 3.69Å; L297-V326 HydrophobicContact CD2-CG1 4.34Å; L297-V326 HydrophobicContact CG-CG1 4.48Å
298	F	98.7	Very high	96.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	142.3	169.1	-68.5	-75.2	0	0	0	110.8	G247 L248 T250 F253 Y262 M270 N300 V318 A322 V323	G247-F298 WeakPolarHBondContact CA-O 3.28Å; G247-F298 PolarHBondContact N-O 2.72Å; L248-F298 PolarHBondContact O-N 3.26Å; T250-F298 HydrophobicContact CG2-CD2 4.37Å; T250-F298 HydrophobicContact CG2-CE1 4.43Å; T250-F298 HydrophobicContact CG2-CE2 3.8Å; T250-F298 HydrophobicContact CG2-CZ 3.83Å; F253-F298 HydrophobicContact CB-CD2 4.41Å; F253-F298 HydrophobicContact CB-CE2 3.82Å; F253-F298 HydrophobicContact CD2-CE2 4.22Å; F253-F298 AromaticContact CG-CE2 3.94Å; F253-F298 HydrophobicContact CG-CE2 3.94Å; Y262-F298 HydrophobicContact CE1-CE2 4.49Å; Y262-F298 AromaticContact CE1-CZ 3.85Å; Y262-F298 HydrophobicContact CE1-CZ 3.85Å; Y262-F298 AromaticContact CZ-CZ 3.95Å; Y262-F298 WeakPolarHBondContact OH-CE2 3.33Å; M270-F298 HydrophobicContact SD-CE1 3.58Å; M270-F298 VanDerWaalsContact SD-CE1 3.58Å; M270-F298 HydrophobicContact SD-CZ 3.72Å; F298-N300 VanDerWaalsContact C-N 3.27Å; F298-N300 PolarHBondContact O-N 2.91Å; F298-V318 HydrophobicContact CD1-CG2 4.17Å; F298-V318 HydrophobicContact CE1-CB 4.45Å; F298-V318 HydrophobicContact CE1-CG1 3.84Å; F298-V318 HydrophobicContact CE1-CG2 4.18Å; F298-V318 HydrophobicContact CG-CG2 4.41Å; F298-V318 HydrophobicContact CZ-CB 4.48Å; F298-V318 HydrophobicContact CZ-CG1 4.12Å; F298-V318 HydrophobicContact CZ-CG2 4.41Å; F298-A322 WeakPolarHBondContact CA-O 3.38Å; F298-V323 HydrophobicContact CD1-CG1 3.83Å; F298-V323 HydrophobicContact CE1-CG1 4.06Å
299	V	97.9	Very high	96.2	Very high	60 Å²	60	51.3 Å²	51.3	36%	0.364	26%	0.257	S	S	.	.	S	Bend	trans	-63.7	-38.5	169.4	177.9	0	0	0	0	110.3	L246 A322 R324	L246-V299 HydrophobicContact CD2-CG2 4.42Å; V299-A322 HydrophobicContact CB-CB 4.17Å; V299-A322 HydrophobicContact CG2-CB 4.05Å; V299-A322 PolarHBondContact N-O 3.17Å; V299-R324 HydrophobicContact CG2-CG 4.15Å
300	N	96.5	Very high	95.6	Very high	73 Å²	73	59.2 Å²	59.2	39%	0.39	29%	0.294	S	S	.	.			trans	-142.7	126.5	163.9	-179	-0.6	0	0	0	109	F298 D302	F298-N300 VanDerWaalsContact C-N 3.27Å; F298-N300 PolarHBondContact O-N 2.91Å; N300-D302 PolarHBondContact ND2-OD2 3.49Å; N300-D302 WeakPolarHBondContact OD1-CB 3.38Å; N300-D302 VanDerWaalsContact OD1-CG 3.26Å; N300-D302 PolarHBondContact OD1-N 2.84Å; N300-D302 PolarHBondContact OD1-OD2 3.01Å
301	S	97.2	Very high	95	Very high	21 Å²	21	62.2 Å²	62.2	15%	0.147	31%	0.306	C	S	.	.			trans	-94.7	15.5	-179.9	55	0	0	0	0	114.4	L248	L248-S301 PolarHBondContact N-OG 3.23Å
302	D	97.4	Very high	94.6	Very high	91 Å²	91	69.7 Å²	69.7	49%	0.487	34%	0.339	S	S	.	.			trans	-52.3	138.5	170.2	-82.5	-31	0	0	0	111.4	N300 V318 K319	N300-D302 PolarHBondContact ND2-OD2 3.49Å; N300-D302 WeakPolarHBondContact OD1-CB 3.38Å; N300-D302 VanDerWaalsContact OD1-CG 3.26Å; N300-D302 PolarHBondContact OD1-N 2.84Å; N300-D302 PolarHBondContact OD1-OD2 3.01Å; D302-V318 WeakPolarHBondContact O-CG2 3.19Å; D302-K319 HydrophobicContact CB-CD 4.26Å; D302-K319 PolarHBondContact O-N 2.7Å
303	Y	96.9	Very high	94.1	Very high	103 Å²	103	71.2 Å²	71.2	40%	0.404	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	165.7	-174.9	62.2	-92.5	0	0	0	113.7	F253 L305 R316 S317 K319	F253-Y303 HydrophobicContact CE2-CD1 4.26Å; F253-Y303 HydrophobicContact CE2-CG 4.44Å; Y303-L305 HydrophobicContact CE2-CD1 4.35Å; Y303-R316 HydrophobicContact CD2-CB 3.89Å; Y303-R316 HydrophobicContact CD2-CG 3.78Å; Y303-R316 HydrophobicContact CE2-CG 3.92Å; Y303-R316 HydrophobicContact CG-CB 4.11Å; Y303-R316 HydrophobicContact CG-CG 4.29Å; Y303-S317 CarbonylContact C-O 3.52Å; Y303-S317 WeakPolarHBondContact CA-O 3.37Å; Y303-S317 VanDerWaalsContact CB-O 3.26Å; Y303-S317 WeakPolarHBondContact CB-O 3.46Å; Y303-K319 WeakPolarHBondContact O-CE 3.45Å
304	E	95.4	Very high	93.8	Very high	111 Å²	111	75.4 Å²	75.4	52%	0.519	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.7	166.8	-63.9	-177.4	172.5	0	0	109	R316 S317 K319	E304-R316 WeakPolarHBondContact O-CA 3.24Å; E304-S317 PolarHBondContact N-O 2.93Å; E304-S317 PolarHBondContact O-N 2.83Å; E304-K319 HydrophobicContact CG-CD 4.13Å; E304-K319 HydrophobicContact CG-CG 3.78Å; E304-K319 WeakPolarHBondContact OE1-CE 3.2Å
305	L	94.4	Very high	93.6	Very high	104 Å²	104	74.1 Å²	74.1	55%	0.545	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.6	-178.6	-163.3	72.5	0	0	0	109.3	Y303 D314 R316	Y303-L305 HydrophobicContact CE2-CD1 4.35Å; L305-D314 HydrophobicContact CD1-CB 3.76Å; L305-D314 HydrophobicContact CD2-CB 4.19Å; L305-D314 HydrophobicContact CG-CB 3.96Å; L305-R316 HydrophobicContact CD1-CG 3.97Å
306	T	92.9	Very high	93.4	Very high	71 Å²	71	75.9 Å²	75.9	44%	0.436	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.8	-179.1	60.9	0	0	0	0	110.2	N308 D314 E315	T306-N308 PolarHBondContact O-N 2.82Å; T306-D314 CarbonylContact O-C 3.55Å; T306-D314 WeakPolarHBondContact O-CA 3.49Å; T306-E315 PolarHBondContact N-O 2.86Å; T306-E315 PolarHBondContact O-N 3.21Å; T306-E315 PolarHBondContact OG1-O 2.9Å; T306-E315 VanDerWaalsContact OG1-O 3.12Å
307	Y	91.6	Very high	93.2	Very high	129 Å²	129	77.4 Å²	77.4	51%	0.506	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	109.7	178.1	-172.2	-95.3	0	0	0	110.9	L309 K312 D314	Y307-L309 HydrophobicContact CD1-CD2 3.93Å; Y307-L309 HydrophobicContact CD1-CG 4.41Å; Y307-L309 HydrophobicContact CE1-CD2 4.07Å; Y307-L309 PolarHBondContact O-N 2.77Å; Y307-K312 VanDerWaalsContact OH-C 3.31Å; Y307-K312 WeakPolarHBondContact OH-CA 3.16Å; Y307-K312 PolarHBondContact OH-O 3.44Å; Y307-D314 WeakPolarHBondContact CD2-OD1 3.45Å
308	N	87.7	Confident	93.1	Very high	25 Å²	25	75.9 Å²	75.9	13%	0.134	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	106.7	176.8	-172.7	-54.5	0	0	0	110.3	T306 E310 K311 K312 R313 E315	T306-N308 PolarHBondContact O-N 2.82Å; N308-E310 VanDerWaalsContact C-N 3.32Å; N308-E310 PolarHBondContact O-N 3.49Å; N308-E310 WeakPolarHBondContact OD1-CB 3.4Å; N308-E310 PolarHBondContact OD1-N 3.33Å; N308-K311 HydrophobicContact CB-CB 4.18Å; N308-K311 HydrophobicContact CB-CD 4.46Å; N308-K311 HydrophobicContact CB-CG 4.49Å; N308-K311 VanDerWaalsContact ND2-CE 3.32Å; N308-K311 WeakPolarHBondContact ND2-CE 3.16Å; N308-K311 PolarHBondContact O-N 3.25Å; N308-K311 WeakPolarHBondContact OD1-CB 3.22Å; N308-K311 WeakPolarHBondContact OD1-CG 3.17Å; N308-K311 PolarHBondContact OD1-N 3.03Å; N308-K312 VanDerWaalsContact O-CA 3.28Å; N308-K312 WeakPolarHBondContact O-CA 3.46Å; N308-K312 PolarHBondContact O-N 3.37Å; N308-R313 WeakPolarHBondContact CB-O 3.39Å; N308-R313 PolarHBondContact N-O 3.05Å; N308-E315 HydrophobicContact CB-CB 4.19Å; N308-E315 WeakPolarHBondContact CB-OE2 3.4Å; N308-E315 PolarHBondContact ND2-OE2 2.7Å
309	L	87.9	Confident	92.9	Very high	140 Å²	140	82 Å²	82	73%	0.733	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.9	-178.7	-69.2	169.4	0	0	0	114.1	Y307 K312	Y307-L309 HydrophobicContact CD1-CD2 3.93Å; Y307-L309 HydrophobicContact CD1-CG 4.41Å; Y307-L309 HydrophobicContact CE1-CD2 4.07Å; Y307-L309 PolarHBondContact O-N 2.77Å; L309-K312 WeakPolarHBondContact O-CG 3.27Å
310	E	86.1	Confident	92.9	Very high	167 Å²	167	81.6 Å²	81.6	78%	0.78	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-48.2	179.9	-56.1	-169.9	149.6	0	0	111.5	N308 K312	N308-E310 VanDerWaalsContact C-N 3.32Å; N308-E310 PolarHBondContact O-N 3.49Å; N308-E310 WeakPolarHBondContact OD1-CB 3.4Å; N308-E310 PolarHBondContact OD1-N 3.33Å; E310-K312 VanDerWaalsContact C-N 3.34Å
311	K	85.4	Confident	92.9	Very high	79 Å²	79	79.3 Å²	79.3	34%	0.343	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-15.3	-176.6	-55.1	176.4	-161.1	166.4	0	112.2	L260 N308 R313 E315	L260-K311 HydrophobicContact CD2-CD 3.44Å; L260-K311 VanDerWaalsContact CD2-CD 3.44Å; N308-K311 HydrophobicContact CB-CB 4.18Å; N308-K311 HydrophobicContact CB-CD 4.46Å; N308-K311 HydrophobicContact CB-CG 4.49Å; N308-K311 VanDerWaalsContact ND2-CE 3.32Å; N308-K311 WeakPolarHBondContact ND2-CE 3.16Å; N308-K311 PolarHBondContact O-N 3.25Å; N308-K311 WeakPolarHBondContact OD1-CB 3.22Å; N308-K311 WeakPolarHBondContact OD1-CG 3.17Å; N308-K311 PolarHBondContact OD1-N 3.03Å; K311-R313 VanDerWaalsContact C-N 3.34Å; K311-R313 HydrophobicContact CB-CG 3.94Å; K311-R313 PolarHBondContact O-N 3.13Å; K311-E315 IonicContact NZ-OE1 2.7Å; K311-E315 PolarHBondContact NZ-OE1 3.44Å; K311-E315 IonicContact NZ-OE2 2.71Å
312	K	89.7	Confident	93	Very high	158 Å²	158	79.5 Å²	79.5	69%	0.687	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	40.5	179.4	-58.2	-170.5	178.7	-168.3	0	114.3	Y307 N308 L309 E310	Y307-K312 VanDerWaalsContact OH-C 3.31Å; Y307-K312 WeakPolarHBondContact OH-CA 3.16Å; Y307-K312 PolarHBondContact OH-O 3.44Å; N308-K312 VanDerWaalsContact O-CA 3.28Å; N308-K312 WeakPolarHBondContact O-CA 3.46Å; N308-K312 PolarHBondContact O-N 3.37Å; L309-K312 WeakPolarHBondContact O-CG 3.27Å; E310-K312 VanDerWaalsContact C-N 3.34Å
313	R	88.9	Confident	93	Very high	54 Å²	54	75.3 Å²	75.3	20%	0.204	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.7	178.2	52.7	174.7	141.9	160.2	-10.1	109.9	D70 N258 N308 K311	D70-R313 IonicContact OD1-CZ 2.08Å; D70-R313 IonicContact OD1-NH2 3.48Å; D70-R313 PolarHBondContact OD1-NH2 3.21Å; D70-R313 IonicContact OD2-NH2 3.82Å; D70-R313 PolarHBondContact OD2-NH2 3.08Å; N258-R313 PolarHBondContact O-NH1 2.8Å; N258-R313 VanDerWaalsContact O-NH1 3.15Å; N308-R313 WeakPolarHBondContact CB-O 3.39Å; N308-R313 PolarHBondContact N-O 3.05Å; K311-R313 VanDerWaalsContact C-N 3.34Å; K311-R313 HydrophobicContact CB-CG 3.94Å; K311-R313 PolarHBondContact O-N 3.13Å
314	D	92	Very high	93.1	Very high	87 Å²	87	72 Å²	72	47%	0.465	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	145.2	168.4	-51.4	-58	0	0	0	110.6	L305 T306 Y307	L305-D314 HydrophobicContact CD1-CB 3.76Å; L305-D314 HydrophobicContact CD2-CB 4.19Å; L305-D314 HydrophobicContact CG-CB 3.96Å; T306-D314 CarbonylContact O-C 3.55Å; T306-D314 WeakPolarHBondContact O-CA 3.49Å; Y307-D314 WeakPolarHBondContact CD2-OD1 3.45Å
315	E	92.9	Very high	93.3	Very high	34 Å²	34	66.8 Å²	66.8	16%	0.159	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.2	-178.5	-178.5	156.5	-125.3	0	0	108.1	L260 T306 N308 K311	L260-E315 HydrophobicContact CD1-CB 3.85Å; L260-E315 HydrophobicContact CD1-CG 3.77Å; T306-E315 PolarHBondContact N-O 2.86Å; T306-E315 PolarHBondContact O-N 3.21Å; T306-E315 PolarHBondContact OG1-O 2.9Å; T306-E315 VanDerWaalsContact OG1-O 3.12Å; N308-E315 HydrophobicContact CB-CB 4.19Å; N308-E315 WeakPolarHBondContact CB-OE2 3.4Å; N308-E315 PolarHBondContact ND2-OE2 2.7Å; K311-E315 IonicContact NZ-OE1 2.7Å; K311-E315 PolarHBondContact NZ-OE1 3.44Å; K311-E315 IonicContact NZ-OE2 2.71Å
316	R	94.5	Very high	93.5	Very high	48 Å²	48	62.9 Å²	62.9	18%	0.181	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.5	176.5	-52.2	-173.5	-162	-171.8	15.6	109.2	F253 D256 N257 Y303 E304 L305	F253-R316 HydrophobicContact CE1-CB 4.29Å; F253-R316 HydrophobicContact CZ-CB 4.01Å; D256-R316 VanDerWaalsContact CG-NH2 3.27Å; D256-R316 PolarHBondContact O-NE 3.34Å; D256-R316 PolarHBondContact O-NH2 3.24Å; D256-R316 IonicContact OD2-CZ 2.82Å; D256-R316 IonicContact OD2-NH1 3.49Å; D256-R316 PolarHBondContact OD2-NH1 2.7Å; D256-R316 IonicContact OD2-NH2 2.86Å; D256-R316 PolarHBondContact OD2-NH2 3.45Å; N257-R316 HydrophobicContact CB-CB 4.47Å; N257-R316 PolarHBondContact ND2-O 2.82Å; N257-R316 WeakPolarHBondContact OD1-CB 3.46Å; N257-R316 PolarHBondContact OD1-N 3.04Å; Y303-R316 HydrophobicContact CD2-CB 3.89Å; Y303-R316 HydrophobicContact CD2-CG 3.78Å; Y303-R316 HydrophobicContact CE2-CG 3.92Å; Y303-R316 HydrophobicContact CG-CB 4.11Å; Y303-R316 HydrophobicContact CG-CG 4.29Å; E304-R316 WeakPolarHBondContact O-CA 3.24Å; L305-R316 HydrophobicContact CD1-CG 3.97Å
317	S	93.9	Very high	93.6	Very high	34 Å²	34	61.4 Å²	61.4	24%	0.238	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.8	166.1	176.2	0	0	0	0	108.8	Q266 Y303 E304	Q266-S317 PolarHBondContact NE2-OG 2.63Å; Y303-S317 CarbonylContact C-O 3.52Å; Y303-S317 WeakPolarHBondContact CA-O 3.37Å; Y303-S317 VanDerWaalsContact CB-O 3.26Å; Y303-S317 WeakPolarHBondContact CB-O 3.46Å; E304-S317 PolarHBondContact N-O 2.93Å; E304-S317 PolarHBondContact O-N 2.83Å
318	V	96.4	Very high	93.8	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.03	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	137.2	177	76.4	0	0	0	0	109.9	F253 F298 D302 S320 T321	F253-V318 HydrophobicContact CD2-CG2 4.48Å; F253-V318 HydrophobicContact CE1-CB 4.29Å; F253-V318 HydrophobicContact CE2-CB 3.86Å; F253-V318 HydrophobicContact CE2-CG2 3.89Å; F253-V318 HydrophobicContact CZ-CB 3.67Å; F253-V318 HydrophobicContact CZ-CG2 4.24Å; F298-V318 HydrophobicContact CD1-CG2 4.17Å; F298-V318 HydrophobicContact CE1-CB 4.45Å; F298-V318 HydrophobicContact CE1-CG1 3.84Å; F298-V318 HydrophobicContact CE1-CG2 4.18Å; F298-V318 HydrophobicContact CG-CG2 4.41Å; F298-V318 HydrophobicContact CZ-CB 4.48Å; F298-V318 HydrophobicContact CZ-CG1 4.12Å; F298-V318 HydrophobicContact CZ-CG2 4.41Å; D302-V318 WeakPolarHBondContact O-CG2 3.19Å; V318-S320 VanDerWaalsContact CG2-O 3.31Å; V318-S320 WeakPolarHBondContact CG2-O 3.36Å; V318-T321 HydrophobicContact CG1-CG2 3.58Å
319	K	95.9	Very high	94.1	Very high	129 Å²	129	55.7 Å²	55.7	56%	0.561	28%	0.282	S	S	*	.	S	Bend	trans	-74.1	-36.7	-178.5	-71.9	-179.5	177.2	174.5	0	112.6	D302 Y303 E304	D302-K319 HydrophobicContact CB-CD 4.26Å; D302-K319 PolarHBondContact O-N 2.7Å; Y303-K319 WeakPolarHBondContact O-CE 3.45Å; E304-K319 HydrophobicContact CG-CD 4.13Å; E304-K319 HydrophobicContact CG-CG 3.78Å; E304-K319 WeakPolarHBondContact OE1-CE 3.2Å
320	S	97	Very high	94.5	Very high	51 Å²	51	51.3 Å²	51.3	36%	0.357	26%	0.264	S	S	.	.			trans	-122.7	127.9	175	-175.7	0	0	0	0	109.7	V318 A322	V318-S320 VanDerWaalsContact CG2-O 3.31Å; V318-S320 WeakPolarHBondContact CG2-O 3.36Å; S320-A322 VanDerWaalsContact C-N 3.3Å; S320-A322 WeakPolarHBondContact OG-CB 3.46Å; S320-A322 PolarHBondContact OG-N 3.3Å
321	T	97.7	Very high	95	Very high	24 Å²	24	44 Å²	44	15%	0.147	23%	0.232	C	C	.	.			trans	-95.1	16.6	174.2	47.3	0	0	0	0	112.1	Q266 H269 M270 Q273 V318 V323	Q266-T321 HydrophobicContact CB-CG2 3.61Å; Q266-T321 HydrophobicContact CG-CG2 3.69Å; H269-T321 PolarHBondContact ND1-OG1 3.14Å; M270-T321 HydrophobicContact CG-CG2 4.5Å; Q273-T321 PolarHBondContact NE2-O 3.09Å; V318-T321 HydrophobicContact CG1-CG2 3.58Å; T321-V323 PolarHBondContact O-N 3.16Å
322	A	98.2	Very high	95.5	Very high	25 Å²	25	41 Å²	41	21%	0.207	22%	0.22	C	C	.	.			trans	-67.3	127.4	172.8	0	0	0	0	0	110.3	F298 V299 S320	F298-A322 WeakPolarHBondContact CA-O 3.38Å; V299-A322 HydrophobicContact CB-CB 4.17Å; V299-A322 HydrophobicContact CG2-CB 4.05Å; V299-A322 PolarHBondContact N-O 3.17Å; S320-A322 VanDerWaalsContact C-N 3.3Å; S320-A322 WeakPolarHBondContact OG-CB 3.46Å; S320-A322 PolarHBondContact OG-N 3.3Å
323	V	98.4	Very high	95.8	Very high	4 Å²	4	35 Å²	35	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	168.4	-175.9	-65.6	0	0	0	0	113.5	T250 M270 Q273 I296 L297 F298 T321	T250-V323 HydrophobicContact CG2-CG1 4.47Å; M270-V323 HydrophobicContact CG-CG1 4.21Å; M270-V323 HydrophobicContact SD-CG1 4.35Å; Q273-V323 HydrophobicContact CB-CG2 3.9Å; I296-V323 HydrophobicContact CG2-CB 3.98Å; I296-V323 HydrophobicContact CG2-CG1 4.15Å; I296-V323 HydrophobicContact CG2-CG2 4.25Å; L297-V323 CarbonylContact O-C 3.5Å; L297-V323 WeakPolarHBondContact O-CA 3.22Å; L297-V323 WeakPolarHBondContact O-CB 3.37Å; F298-V323 HydrophobicContact CD1-CG1 3.83Å; F298-V323 HydrophobicContact CE1-CG1 4.06Å; T321-V323 PolarHBondContact O-N 3.16Å
324	R	98.6	Very high	96.1	Very high	32 Å²	32	35.6 Å²	35.6	12%	0.121	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.6	167.4	-67.2	-68.2	-178.8	-109.9	18.1	110.8	N222 L225 E244 L246 I296 L297 V299 V326	N222-R324 PolarHBondContact ND2-NE 2.81Å; N222-R324 PolarHBondContact ND2-NH2 3.03Å; N222-R324 PolarHBondContact OD1-NE 3.44Å; N222-R324 PolarHBondContact OD1-NH2 3.48Å; L225-R324 VanDerWaalsContact O-CA 3.26Å; L225-R324 WeakPolarHBondContact O-CA 3.22Å; L225-R324 WeakPolarHBondContact O-CD 3.21Å; E244-R324 IonicContact OE1-NE 3.23Å; E244-R324 PolarHBondContact OE1-NE 3.21Å; E244-R324 VanDerWaalsContact OE1-NE 3.17Å; E244-R324 IonicContact OE2-NE 3.73Å; L246-R324 HydrophobicContact CD1-CB 3.68Å; L246-R324 HydrophobicContact CD1-CG 3.84Å; L246-R324 HydrophobicContact CD2-CB 4.41Å; L246-R324 HydrophobicContact CD2-CG 3.7Å; L246-R324 HydrophobicContact CG-CG 4.45Å; I296-R324 WeakPolarHBondContact CA-O 3.23Å; L297-R324 PolarHBondContact N-O 3.42Å; L297-R324 PolarHBondContact O-N 3.23Å; V299-R324 HydrophobicContact CG2-CG 4.15Å; R324-V326 HydrophobicContact CB-CG1 4.42Å
325	V	98.7	Very high	96.1	Very high	3 Å²	3	39 Å²	39	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	134.7	163.9	-179.3	0	0	0	0	109	L225 V227 L274 A277 V278 H288 L291 F328	L225-V325 PolarHBondContact O-N 2.99Å; V227-V325 PolarHBondContact N-O 2.78Å; L274-V325 HydrophobicContact CD1-CG2 3.87Å; A277-V325 HydrophobicContact CB-CG2 3.71Å; V278-V325 HydrophobicContact CG2-CG2 4.42Å; H288-V325 VanDerWaalsContact CD2-CG1 3.48Å; H288-V325 WeakPolarHBondContact CD2-CG1 3.42Å; H288-V325 WeakPolarHBondContact NE2-CG1 3.4Å; L291-V325 HydrophobicContact CD2-CG1 3.89Å; V325-F328 HydrophobicContact CB-CZ 4.42Å; V325-F328 HydrophobicContact CG1-CZ 4.03Å
326	V	98.1	Very high	96.1	Very high	21 Å²	21	40.9 Å²	40.9	13%	0.127	22%	0.223	C	C	.	.			trans	-132.6	170.9	-175.5	-42	0	0	0	0	112.3	V227 L246 H288 N295 L297 R324	V227-V326 HydrophobicContact CB-CG1 4.05Å; V227-V326 HydrophobicContact CG1-CB 4.16Å; V227-V326 HydrophobicContact CG1-CG1 4.25Å; L246-V326 HydrophobicContact CD1-CG1 3.99Å; H288-V326 PolarHBondContact NE2-O 3.06Å; N295-V326 HydrophobicContact CB-CG2 4.35Å; N295-V326 PolarHBondContact O-N 2.85Å; L297-V326 HydrophobicContact CB-CG1 4.33Å; L297-V326 HydrophobicContact CD1-CG1 4.08Å; L297-V326 HydrophobicContact CD1-CG2 3.69Å; L297-V326 HydrophobicContact CD2-CG1 4.34Å; L297-V326 HydrophobicContact CG-CG1 4.48Å; R324-V326 HydrophobicContact CB-CG1 4.42Å
327	D	95.7	Very high	95.9	Very high	41 Å²	41	45.7 Å²	45.7	22%	0.219	25%	0.247	C	C	.	.			trans	65.6	64.1	173	-165.8	44.6	0	0	0	114.5	K193 N295 G329	K193-D327 IonicContact NZ-OD1 2.63Å; K193-D327 PolarHBondContact NZ-OD1 3.46Å; N295-D327 PolarHBondContact ND2-OD2 3.34Å; D327-G329 PolarHBondContact O-N 2.93Å; D327-G329 VanDerWaalsContact O-N 3.17Å
328	F	96.9	Very high	95.8	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-75.5	7.2	178.7	-68.1	-85.7	0	0	0	114.1	E208 V211 L212 I215 C226 V227 L281 H288 V325 S330 A331	E208-F328 HydrophobicContact CG-CB 4.45Å; V211-F328 HydrophobicContact CG1-CB 3.9Å; V211-F328 HydrophobicContact CG1-CD1 4.13Å; V211-F328 HydrophobicContact CG1-CG 4.27Å; L212-F328 HydrophobicContact CD2-CD2 3.74Å; L212-F328 HydrophobicContact CD2-CE2 4.41Å; L212-F328 HydrophobicContact CD2-CG 4.36Å; I215-F328 HydrophobicContact CD1-CD1 3.58Å; I215-F328 HydrophobicContact CD1-CD2 4.27Å; I215-F328 HydrophobicContact CD1-CE1 3.47Å; I215-F328 VanDerWaalsContact CD1-CE1 3.47Å; I215-F328 HydrophobicContact CD1-CE2 4.17Å; I215-F328 HydrophobicContact CD1-CG 3.99Å; I215-F328 HydrophobicContact CD1-CZ 3.79Å; C226-F328 HydrophobicContact CB-CE2 4.3Å; C226-F328 HydrophobicContact CB-CZ 3.89Å; V227-F328 HydrophobicContact CG1-CD2 4.44Å; V227-F328 HydrophobicContact CG1-CE2 4.16Å; L281-F328 HydrophobicContact CD1-CE1 3.79Å; L281-F328 HydrophobicContact CD2-CE1 3.7Å; L281-F328 HydrophobicContact CD2-CZ 4.34Å; L281-F328 HydrophobicContact CG-CE1 4.41Å; H288-F328 AromaticContact CD2-CE1 3.71Å; V325-F328 HydrophobicContact CB-CZ 4.42Å; V325-F328 HydrophobicContact CG1-CZ 4.03Å; F328-S330 PolarHBondContact O-N 3.29Å; F328-S330 VanDerWaalsContact O-N 3.11Å; F328-A331 HydrophobicContact CB-CB 4.36Å; F328-A331 HydrophobicContact CD1-CB 4.31Å; F328-A331 VanDerWaalsContact O-CB 3.28Å; F328-A331 WeakPolarHBondContact O-CB 3.19Å; F328-A331 PolarHBondContact O-N 2.89Å
329	G	93.8	Very high	95.5	Very high	31 Å²	31	49.3 Å²	49.3	32%	0.32	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-68.3	-6.6	-177.4	0	0	0	0	0	115.7	D327	D327-G329 PolarHBondContact O-N 2.93Å; D327-G329 VanDerWaalsContact O-N 3.17Å
330	S	94.8	Very high	95.3	Very high	49 Å²	49	47.1 Å²	47.1	34%	0.343	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-116.4	9.8	169	-59.2	0	0	0	0	113.3	H288 T289 F328	H288-S330 CarbonylContact O-C 3.51Å; T289-S330 WeakPolarHBondContact CG2-O 3.22Å; T289-S330 PolarHBondContact OG1-O 3.29Å; F328-S330 PolarHBondContact O-N 3.29Å; F328-S330 VanDerWaalsContact O-N 3.11Å
331	A	97	Very high	95	Very high	14 Å²	14	48.2 Å²	48.2	12%	0.116	27%	0.265	C	S	.	.			trans	-71	151.9	176.6	0	0	0	0	0	110.7	V211 L286 T287 F328	V211-A331 HydrophobicContact CG1-CB 4.17Å; V211-A331 HydrophobicContact CG2-CB 4.49Å; L286-A331 HydrophobicContact CD1-CB 3.84Å; L286-A331 HydrophobicContact CG-CB 4.26Å; T287-A331 CarbonylContact O-C 3.45Å; T287-A331 WeakPolarHBondContact O-CA 3.36Å; F328-A331 HydrophobicContact CB-CB 4.36Å; F328-A331 HydrophobicContact CD1-CB 4.31Å; F328-A331 VanDerWaalsContact O-CB 3.28Å; F328-A331 WeakPolarHBondContact O-CB 3.19Å; F328-A331 PolarHBondContact O-N 2.89Å
332	T	96.5	Very high	94.8	Very high	16 Å²	16	47.9 Å²	47.9	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	130.4	-175.3	-53.4	0	0	0	0	110	T287 E336 W358	T287-T332 PolarHBondContact N-O 3.47Å; T287-T332 PolarHBondContact O-N 3.24Å; T332-E336 HydrophobicContact CG2-CB 3.93Å; T332-W358 HydrophobicContact CG2-CH2 4.22Å
333	F	96.3	Very high	94.6	Very high	31 Å²	31	47.1 Å²	47.1	14%	0.136	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	151.4	174.2	-68.8	-81.8	0	0	0	111.7	V211 K214 K285 L286 H335 E336 H338	V211-F333 HydrophobicContact CG2-CE2 3.81Å; V211-F333 HydrophobicContact CG2-CZ 4.38Å; K214-F333 HydrophobicContact CB-CZ 4.24Å; K214-F333 HydrophobicContact CG-CZ 4.18Å; K285-F333 CarbonylContact O-C 3.56Å; K285-F333 WeakPolarHBondContact O-CA 3.39Å; K285-F333 WeakPolarHBondContact O-CD1 3.34Å; L286-F333 HydrophobicContact CB-CD1 4.01Å; L286-F333 HydrophobicContact CB-CE1 4.04Å; L286-F333 HydrophobicContact CD1-CD1 3.88Å; L286-F333 HydrophobicContact CD1-CD2 4.06Å; L286-F333 HydrophobicContact CD1-CE1 3.93Å; L286-F333 HydrophobicContact CD1-CE2 4.11Å; L286-F333 HydrophobicContact CD1-CG 3.95Å; L286-F333 HydrophobicContact CD1-CZ 4.04Å; L286-F333 HydrophobicContact CG-CE1 4.41Å; F333-H335 AromaticContact CG-CE1 3.96Å; F333-H335 PolarHBondContact O-N 3.02Å; F333-E336 HydrophobicContact CB-CG 4.07Å; F333-E336 WeakPolarHBondContact CD2-OE2 3.45Å; F333-E336 PolarHBondContact N-OE2 3.35Å; F333-E336 PolarHBondContact O-N 2.88Å; F333-H338 PolarHBondContact O-CE1 2.92Å
334	D	95.5	Very high	94.4	Very high	66 Å²	66	48.9 Å²	48.9	35%	0.353	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-18.5	-178.1	-68.8	4.8	0	0	0	114.8	K285 Q360	K285-D334 HydrophobicContact CB-CB 4.18Å; K285-D334 WeakPolarHBondContact CD-OD2 3.49Å; K285-D334 PolarHBondContact O-N 2.98Å; D334-Q360 VanDerWaalsContact CG-NE2 3.25Å; D334-Q360 PolarHBondContact OD1-NE2 3.05Å; D334-Q360 PolarHBondContact OD2-NE2 2.89Å
335	H	92.3	Very high	94.3	Very high	159 Å²	159	50.5 Å²	50.5	74%	0.736	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-1.3	-178.6	69.6	-80.6	0	0	0	114.2	F333	F333-H335 AromaticContact CG-CE1 3.96Å; F333-H335 PolarHBondContact O-N 3.02Å
336	E	91.7	Very high	94.3	Very high	74 Å²	74	51.8 Å²	51.8	35%	0.346	28%	0.279	S	S	.	.	S	Bend	trans	-94.7	173.5	-178.2	-69	179.4	138	0	0	112.8	T332 F333 H338	T332-E336 HydrophobicContact CG2-CB 3.93Å; F333-E336 HydrophobicContact CB-CG 4.07Å; F333-E336 WeakPolarHBondContact CD2-OE2 3.45Å; F333-E336 PolarHBondContact N-OE2 3.35Å; F333-E336 PolarHBondContact O-N 2.88Å; E336-H338 PolarHBondContact O-N 3.07Å; E336-H338 PolarHBondContact O-ND1 3.02Å
337	H	90.3	Very high	94.3	Very high	149 Å²	149	51 Å²	51	69%	0.69	27%	0.274	S	S	*	.			trans	-69.7	112.2	176.4	179.6	75.1	0	0	0	111.7	S339	H337-S339 PolarHBondContact O-N 2.94Å
338	H	90.9	Very high	94.4	Very high	55 Å²	55	50.4 Å²	50.4	26%	0.255	27%	0.269	S	S	.	.			trans	-79.9	104.5	177.2	-71.6	51.3	0	0	0	111.1	F333 E336 T340 W358	F333-H338 PolarHBondContact O-CE1 2.92Å; E336-H338 PolarHBondContact O-N 3.07Å; E336-H338 PolarHBondContact O-ND1 3.02Å; H338-T340 PolarHBondContact O-N 3.46Å; H338-W358 HydrophobicContact CB-CH2 4.17Å; H338-W358 HydrophobicContact CB-CZ2 3.76Å; H338-W358 AromaticContact CD2-CE3 3.88Å; H338-W358 AromaticContact CD2-CH2 3.57Å; H338-W358 AromaticContact CD2-CZ2 3.9Å; H338-W358 AromaticContact CD2-CZ3 3.56Å; H338-W358 PolarHBondContact CD2-O 3.38Å; H338-W358 AromaticContact CG-CH2 3.98Å
339	S	91.3	Very high	94.5	Very high	60 Å²	60	50.3 Å²	50.3	42%	0.42	27%	0.268	S	S	.	.			trans	-53.3	134.2	173.4	-72.3	0	0	0	0	111.8	H337 I341 W358	H337-S339 PolarHBondContact O-N 2.94Å; S339-I341 VanDerWaalsContact C-N 3.3Å; S339-I341 PolarHBondContact O-N 3.39Å; S339-W358 WeakPolarHBondContact O-CZ2 3.49Å; S339-W358 PolarHBondContact O-NE1 2.97Å
340	T	91.1	Very high	94.7	Very high	83 Å²	83	48.9 Å²	48.9	51%	0.509	25%	0.253	S	S	.	.	S	Bend	trans	-63.4	-33.1	-171.9	-62.2	0	0	0	0	113.7	H338 E355	H338-T340 PolarHBondContact O-N 3.46Å; T340-E355 HydrophobicContact CG2-CB 4.38Å; T340-E355 HydrophobicContact CG2-CG 3.69Å; T340-E355 WeakPolarHBondContact CG2-OE1 3.44Å
341	I	90.4	Very high	94.9	Very high	73 Å²	73	46.6 Å²	46.6	37%	0.374	24%	0.237	S	C	.	.	S	Bend	trans	-122.9	120.6	176.8	-58.3	-63.9	0	0	0	108.7	S339 R348 E355	S339-I341 VanDerWaalsContact C-N 3.3Å; S339-I341 PolarHBondContact O-N 3.39Å; I341-R348 VanDerWaalsContact CG2-CZ 3.45Å; I341-E355 HydrophobicContact CD1-CG 4.41Å
342	V	94.6	Very high	95	Very high	17 Å²	17	46 Å²	46	10%	0.103	23%	0.232	C	C	.	.			trans	-128	-179.2	175.2	-64.9	0	0	0	0	110.6	T289 R348 V352 W358	T289-V342 HydrophobicContact CG2-CG1 4.5Å; V342-R348 PolarHBondContact O-NE 3.49Å; V342-R348 PolarHBondContact O-NH2 2.81Å; V342-V352 HydrophobicContact CG2-CG1 4.03Å; V342-V352 HydrophobicContact CG2-CG2 4.12Å; V342-W358 HydrophobicContact CB-CZ2 4.42Å; V342-W358 HydrophobicContact CG1-CH2 4.17Å; V342-W358 HydrophobicContact CG1-CZ2 3.48Å; V342-W358 VanDerWaalsContact CG1-CZ2 3.48Å; V342-W358 HydrophobicContact CG2-CD2 3.93Å; V342-W358 HydrophobicContact CG2-CE3 4.47Å; V342-W358 HydrophobicContact CG2-CG 4.25Å; V342-W358 HydrophobicContact CG2-CZ2 4.08Å
343	S	93.6	Very high	95.1	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.063	23%	0.227	C	C	.	.	S	Bend	trans	64.3	140.1	-179	-36.9	0	0	0	0	116	T289 R348	T289-S343 WeakPolarHBondContact O-CA 3.41Å; T289-S343 WeakPolarHBondContact O-CB 3.27Å; T289-S343 PolarHBondContact O-N 3.18Å; T289-S343 PolarHBondContact O-OG 3.25Å; S343-R348 PolarHBondContact O-NE 3.05Å; S343-R348 PolarHBondContact O-NH2 3.48Å
344	T	94.9	Very high	95.2	Very high	42 Å²	42	43.8 Å²	43.8	26%	0.258	22%	0.221	S	C	.	.			trans	-58.3	134.4	163.5	-67.6	0	0	0	0	109.7	D290 K292 H346 Y347 R348	D290-T344 WeakPolarHBondContact OD1-CB 3.3Å; D290-T344 PolarHBondContact OD1-N 3.03Å; D290-T344 PolarHBondContact OD1-OG1 3.21Å; D290-T344 PolarHBondContact OD2-OG1 3.43Å; K292-T344 HydrophobicContact CD-CG2 4.23Å; T344-H346 VanDerWaalsContact C-N 3.34Å; T344-H346 PolarHBondContact O-N 2.9Å; T344-H346 VanDerWaalsContact O-N 3.11Å; T344-Y347 HydrophobicContact CG2-CD2 4.04Å; T344-Y347 HydrophobicContact CG2-CE2 3.95Å; T344-Y347 PolarHBondContact O-N 2.77Å; T344-R348 PolarHBondContact O-N 2.96Å
345	R	96.1	Very high	95.3	Very high	66 Å²	66	43.1 Å²	43.1	25%	0.249	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-54	-41.3	-158.3	-178.7	-177.2	-78.9	-80.3	2.9	115	Y347 R348 T383 H384 D385 N386 H389	R345-Y347 PolarHBondContact O-N 3.19Å; R345-R348 WeakPolarHBondContact O-CB 3.47Å; R345-R348 PolarHBondContact O-N 3.4Å; R345-T383 WeakPolarHBondContact CD-O 3.41Å; R345-H384 VanDerWaalsContact CD-CA 3.47Å; R345-H384 PolarHBondContact NE-O 3.17Å; R345-H384 VanDerWaalsContact NE-O 3.16Å; R345-H384 PolarHBondContact NH2-O 3.4Å; R345-H384 VanDerWaalsContact NH2-O 3.15Å; R345-D385 PolarHBondContact NH1-O 3.47Å; R345-N386 PolarHBondContact NH1-OD1 2.88Å; R345-H389 PolarHBondContact O-CE1 3.13Å
346	H	98	Very high	95.5	Very high	30 Å²	30	38.2 Å²	38.2	14%	0.139	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-67.8	-18.8	-174.9	-44.3	132.1	0	0	0	113.6	T344 T379 F381 Q382 H384	T344-H346 VanDerWaalsContact C-N 3.34Å; T344-H346 PolarHBondContact O-N 2.9Å; T344-H346 VanDerWaalsContact O-N 3.11Å; H346-T379 HydrophobicContact CB-CG2 4.45Å; H346-F381 PolarHBondContact CD2-O 2.88Å; H346-Q382 PolarHBondContact NE2-NE2 3.27Å; H346-H384 AromaticContact NE2-CE1 3.72Å
347	Y	98.7	Very high	95.7	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.012	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-110.8	3	-177.6	-40.7	-71.9	0	0	0	111.9	K292 P293 T344 R345 A349 S366 C369 I370 E373	K292-Y347 HydrophobicContact CB-CD2 3.55Å; K292-Y347 HydrophobicContact CB-CE2 3.36Å; K292-Y347 HydrophobicContact CB-CG 4.39Å; P293-Y347 WeakPolarHBondContact CD-OH 3.43Å; P293-Y347 HydrophobicContact CG-CE1 4.25Å; T344-Y347 HydrophobicContact CG2-CD2 4.04Å; T344-Y347 HydrophobicContact CG2-CE2 3.95Å; T344-Y347 PolarHBondContact O-N 2.77Å; R345-Y347 PolarHBondContact O-N 3.19Å; Y347-A349 PolarHBondContact O-N 2.87Å; Y347-S366 PolarHBondContact O-OG 2.91Å; Y347-S366 VanDerWaalsContact O-OG 3.07Å; Y347-C369 HydrophobicContact CD1-CB 3.87Å; Y347-I370 HydrophobicContact CD1-CG1 4.13Å; Y347-I370 HydrophobicContact CE1-CG1 4.37Å; Y347-E373 WeakPolarHBondContact CE1-OE2 3.37Å; Y347-E373 PolarHBondContact OH-OE2 2.86Å
348	R	98.6	Very high	96.1	Very high	30 Å²	30	31.3 Å²	31.3	11%	0.113	18%	0.175	C	C	.	.			trans	-74.6	124.3	-172.6	-175.5	-179.2	-68.2	160.6	0.4	112.5	I341 V342 S343 T344 R345 V352 I353	I341-R348 VanDerWaalsContact CG2-CZ 3.45Å; V342-R348 PolarHBondContact O-NE 3.49Å; V342-R348 PolarHBondContact O-NH2 2.81Å; S343-R348 PolarHBondContact O-NE 3.05Å; S343-R348 PolarHBondContact O-NH2 3.48Å; T344-R348 PolarHBondContact O-N 2.96Å; R345-R348 WeakPolarHBondContact O-CB 3.47Å; R345-R348 PolarHBondContact O-N 3.4Å; R348-V352 HydrophobicContact CG-CB 3.81Å; R348-V352 HydrophobicContact CG-CG1 3.87Å; R348-I353 HydrophobicContact CG-CG1 3.96Å
349	A	98.7	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.			trans	-65	150.3	179.5	0	0	0	0	0	114.1	Y347 E351 V352 I353 C362 W365	Y347-A349 PolarHBondContact O-N 2.87Å; A349-E351 VanDerWaalsContact C-N 3.32Å; A349-E351 VanDerWaalsContact CB-OE1 3.27Å; A349-E351 WeakPolarHBondContact CB-OE1 3.22Å; A349-E351 PolarHBondContact O-N 3.2Å; A349-V352 HydrophobicContact CB-CG2 4.32Å; A349-V352 WeakPolarHBondContact O-CB 3.44Å; A349-V352 PolarHBondContact O-N 3.32Å; A349-V352 VanDerWaalsContact O-N 3.08Å; A349-I353 PolarHBondContact O-N 3.44Å; A349-C362 HydrophobicContact CB-CB 3.94Å; A349-W365 HydrophobicContact CB-CB 3.74Å; A349-W365 HydrophobicContact CB-CD2 4.33Å; A349-W365 HydrophobicContact CB-CG 3.76Å
350	P	98.6	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-35.2	-175.5	23.1	-33.7	0	0	0	113.2	V352 I353 L354 W365 M393 M404 Y462	P350-V352 VanDerWaalsContact C-N 3.25Å; P350-V352 PolarHBondContact O-N 2.9Å; P350-I353 PolarHBondContact O-N 2.76Å; P350-L354 VanDerWaalsContact O-CB 3.26Å; P350-L354 WeakPolarHBondContact O-CB 3.26Å; P350-L354 VanDerWaalsContact O-CG 3.23Å; P350-L354 WeakPolarHBondContact O-CG 3.18Å; P350-L354 PolarHBondContact O-N 2.86Å; P350-W365 VanDerWaalsContact CD-CD2 3.47Å; P350-W365 VanDerWaalsContact CD-CE3 3.41Å; P350-W365 VanDerWaalsContact CD-CZ3 3.5Å; P350-W365 HydrophobicContact CG-CE3 4Å; P350-W365 HydrophobicContact CG-CH2 3.9Å; P350-W365 HydrophobicContact CG-CZ2 4.44Å; P350-W365 HydrophobicContact CG-CZ3 3.65Å; P350-M393 HydrophobicContact CB-CE 4.37Å; P350-M393 HydrophobicContact CB-SD 3.9Å; P350-M404 HydrophobicContact CB-CE 4.2Å; P350-M404 HydrophobicContact CG-CE 4.28Å; P350-Y462 HydrophobicContact CB-CD1 4.09Å; P350-Y462 HydrophobicContact CG-CD1 3.96Å
351	E	98.6	Very high	97.2	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-28.2	176.5	65.3	-83.8	-169.7	0	0	113.7	A349 E355 L356 G357 W358 M404 P464 R467	A349-E351 VanDerWaalsContact C-N 3.32Å; A349-E351 VanDerWaalsContact CB-OE1 3.27Å; A349-E351 WeakPolarHBondContact CB-OE1 3.22Å; A349-E351 PolarHBondContact O-N 3.2Å; E351-E355 PolarHBondContact O-N 2.75Å; E351-E355 VanDerWaalsContact O-N 3.09Å; E351-L356 HydrophobicContact CB-CB 4.13Å; E351-L356 HydrophobicContact CB-CD1 4.47Å; E351-L356 PolarHBondContact O-N 3.44Å; E351-G357 WeakPolarHBondContact CG-O 3.35Å; E351-W358 HydrophobicContact CG-CB 4.29Å; E351-M404 HydrophobicContact CB-CE 4.39Å; E351-P464 HydrophobicContact CB-CG 4.12Å; E351-P464 HydrophobicContact CG-CB 4.38Å; E351-P464 HydrophobicContact CG-CG 3.98Å; E351-R467 IonicContact OE1-CZ 2.75Å; E351-R467 IonicContact OE1-NH1 2.7Å; E351-R467 PolarHBondContact OE1-NH1 3.08Å; E351-R467 IonicContact OE1-NH2 2.71Å; E351-R467 IonicContact OE2-CZ 2.7Å; E351-R467 IonicContact OE2-NH1 3.13Å; E351-R467 PolarHBondContact OE2-NH1 2.89Å; E351-R467 IonicContact OE2-NH2 3.86Å; E351-R467 PolarHBondContact OE2-NH2 3.44Å
352	V	98.4	Very high	97.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-74.3	-46.8	173.9	-174.5	0	0	0	0	110.1	V342 R348 A349 P350 L354 E355 W358 C362	V342-V352 HydrophobicContact CG2-CG1 4.03Å; V342-V352 HydrophobicContact CG2-CG2 4.12Å; R348-V352 HydrophobicContact CG-CB 3.81Å; R348-V352 HydrophobicContact CG-CG1 3.87Å; A349-V352 HydrophobicContact CB-CG2 4.32Å; A349-V352 WeakPolarHBondContact O-CB 3.44Å; A349-V352 PolarHBondContact O-N 3.32Å; A349-V352 VanDerWaalsContact O-N 3.08Å; P350-V352 VanDerWaalsContact C-N 3.25Å; P350-V352 PolarHBondContact O-N 2.9Å; V352-L354 PolarHBondContact O-N 3.29Å; V352-E355 PolarHBondContact O-N 2.88Å; V352-E355 VanDerWaalsContact O-N 3.15Å; V352-W358 HydrophobicContact CG2-CB 3.83Å; V352-W358 HydrophobicContact CG2-CG 4.01Å; V352-C362 HydrophobicContact CG2-CB 4.32Å
353	I	98.3	Very high	97.8	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-34.8	177.5	-58	171.6	0	0	0	111.2	R348 A349 P350 N386 H389 L390 M393	R348-I353 HydrophobicContact CG-CG1 3.96Å; A349-I353 PolarHBondContact O-N 3.44Å; P350-I353 PolarHBondContact O-N 2.76Å; I353-N386 HydrophobicContact CG2-CB 3.96Å; I353-H389 HydrophobicContact CD1-CB 4.32Å; I353-H389 WeakPolarHBondContact CD1-ND1 3.32Å; I353-L390 HydrophobicContact CG2-CD1 4.12Å; I353-L390 HydrophobicContact CG2-CD2 4.16Å; I353-L390 HydrophobicContact CG2-CG 4.06Å; I353-M393 HydrophobicContact CD1-CE 3.51Å
354	L	98.1	Very high	98	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	2.2	-179.2	-63.8	177.7	0	0	0	114.1	P350 V352 L356 L390 I400 M404 T408 F414	P350-L354 VanDerWaalsContact O-CB 3.26Å; P350-L354 WeakPolarHBondContact O-CB 3.26Å; P350-L354 VanDerWaalsContact O-CG 3.23Å; P350-L354 WeakPolarHBondContact O-CG 3.18Å; P350-L354 PolarHBondContact O-N 2.86Å; V352-L354 PolarHBondContact O-N 3.29Å; L354-L356 VanDerWaalsContact C-N 3.29Å; L354-L356 HydrophobicContact CB-CD1 3.91Å; L354-L356 HydrophobicContact CB-CG 3.86Å; L354-L356 HydrophobicContact CD1-CD1 4.24Å; L354-L356 PolarHBondContact O-N 3.07Å; L354-L390 HydrophobicContact CD2-CD1 3.83Å; L354-L390 HydrophobicContact CD2-CD2 4.23Å; L354-L390 HydrophobicContact CG-CD2 4.31Å; L354-I400 HydrophobicContact CD1-CG2 4.35Å; L354-M404 HydrophobicContact CD1-CB 4.3Å; L354-M404 HydrophobicContact CD1-CE 4.29Å; L354-T408 HydrophobicContact CD2-CG2 4.3Å; L354-T408 VanDerWaalsContact O-CB 3.3Å; L354-T408 WeakPolarHBondContact O-CB 3.4Å; L354-T408 PolarHBondContact O-OG1 3.32Å; L354-F414 HydrophobicContact CD2-CE2 3.7Å; L354-F414 HydrophobicContact CD2-CZ 3.79Å
355	E	97.5	Very high	98.2	Very high	52 Å²	52	20.4 Å²	20.4	24%	0.243	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	46.7	179.9	-61.3	179.1	163.4	0	0	113.2	T340 I341 E351 V352 K410	T340-E355 HydrophobicContact CG2-CB 4.38Å; T340-E355 HydrophobicContact CG2-CG 3.69Å; T340-E355 WeakPolarHBondContact CG2-OE1 3.44Å; I341-E355 HydrophobicContact CD1-CG 4.41Å; E351-E355 PolarHBondContact O-N 2.75Å; E351-E355 VanDerWaalsContact O-N 3.09Å; V352-E355 PolarHBondContact O-N 2.88Å; V352-E355 VanDerWaalsContact O-N 3.15Å; E355-K410 VanDerWaalsContact OE1-CE 3.27Å; E355-K410 WeakPolarHBondContact OE1-CE 3.46Å; E355-K410 IonicContact OE1-NZ 3.42Å; E355-K410 PolarHBondContact OE1-NZ 3.4Å; E355-K410 WeakPolarHBondContact OE2-CE 3.31Å; E355-K410 IonicContact OE2-NZ 2.71Å; E355-K410 PolarHBondContact OE2-NZ 2.79Å
356	L	97.4	Very high	98.4	Very high	57 Å²	57	17.2 Å²	17.2	30%	0.298	10%	0.101	S	C	.	.	S	Bend	trans	-91.4	0.6	-179.8	-65.6	175	0	0	0	113.3	E351 L354 M404 K407	E351-L356 HydrophobicContact CB-CB 4.13Å; E351-L356 HydrophobicContact CB-CD1 4.47Å; E351-L356 PolarHBondContact O-N 3.44Å; L354-L356 VanDerWaalsContact C-N 3.29Å; L354-L356 HydrophobicContact CB-CD1 3.91Å; L354-L356 HydrophobicContact CB-CG 3.86Å; L354-L356 HydrophobicContact CD1-CD1 4.24Å; L354-L356 PolarHBondContact O-N 3.07Å; L356-M404 HydrophobicContact CD1-CB 3.77Å; L356-M404 HydrophobicContact CD1-CE 3.74Å; L356-M404 HydrophobicContact CD1-CG 3.93Å; L356-K407 HydrophobicContact CD2-CB 3.55Å
357	G	96.6	Very high	98.4	Very high	52 Å²	52	15.8 Å²	15.8	54%	0.536	9%	0.094	S	C	.	.			trans	84.7	154.2	-160.4	0	0	0	0	0	111.3	E351	E351-G357 WeakPolarHBondContact CG-O 3.35Å
358	W	98.3	Very high	98.4	Very high	26 Å²	26	15.7 Å²	15.7	10%	0.098	9%	0.094	C	C	.	.			trans	-144	160.2	177.7	58.3	-97.6	0	0	0	109.6	T287 T289 T332 H338 S339 V342 E351 V352 C362	T287-W358 HydrophobicContact CG2-CE3 4.27Å; T287-W358 HydrophobicContact CG2-CZ3 4.03Å; T289-W358 HydrophobicContact CG2-CE3 4.38Å; T289-W358 HydrophobicContact CG2-CH2 3.61Å; T289-W358 HydrophobicContact CG2-CZ2 4.49Å; T289-W358 HydrophobicContact CG2-CZ3 3.54Å; T332-W358 HydrophobicContact CG2-CH2 4.22Å; H338-W358 HydrophobicContact CB-CH2 4.17Å; H338-W358 HydrophobicContact CB-CZ2 3.76Å; H338-W358 AromaticContact CD2-CE3 3.88Å; H338-W358 AromaticContact CD2-CH2 3.57Å; H338-W358 AromaticContact CD2-CZ2 3.9Å; H338-W358 AromaticContact CD2-CZ3 3.56Å; H338-W358 PolarHBondContact CD2-O 3.38Å; H338-W358 AromaticContact CG-CH2 3.98Å; S339-W358 WeakPolarHBondContact O-CZ2 3.49Å; S339-W358 PolarHBondContact O-NE1 2.97Å; V342-W358 HydrophobicContact CB-CZ2 4.42Å; V342-W358 HydrophobicContact CG1-CH2 4.17Å; V342-W358 HydrophobicContact CG1-CZ2 3.48Å; V342-W358 VanDerWaalsContact CG1-CZ2 3.48Å; V342-W358 HydrophobicContact CG2-CD2 3.93Å; V342-W358 HydrophobicContact CG2-CE3 4.47Å; V342-W358 HydrophobicContact CG2-CG 4.25Å; V342-W358 HydrophobicContact CG2-CZ2 4.08Å; E351-W358 HydrophobicContact CG-CB 4.29Å; V352-W358 HydrophobicContact CG2-CB 3.83Å; V352-W358 HydrophobicContact CG2-CG 4.01Å; W358-C362 HydrophobicContact CB-CB 4.37Å
359	S	97.9	Very high	98.4	Very high	42 Å²	42	14.3 Å²	14.3	29%	0.294	9%	0.089	S	C	.	.	S	Bend	trans	-158.1	-156.2	167.9	77.4	0	0	0	0	107.2	P361 C362	S359-P361 VanDerWaalsContact C-N 3.27Å; S359-P361 VanDerWaalsContact O-CD 3.24Å; S359-P361 WeakPolarHBondContact O-CD 3.4Å; S359-P361 WeakPolarHBondContact OG-CD 3.44Å; S359-C362 PolarHBondContact O-N 3.49Å; S359-C362 PolarHBondContact O-SG 3.4Å
360	Q	98.6	Very high	98.4	Very high	34 Å²	34	14.3 Å²	14.3	16%	0.159	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-33.6	-42.3	179.2	-60	88.3	-6.8	0	0	117.1	H282 T287 D334 C362 D363	H282-Q360 HydrophobicContact CB-CB 4.35Å; H282-Q360 HydrophobicContact CB-CG 3.87Å; H282-Q360 PolarHBondContact CE1-O 2.89Å; H282-Q360 PolarHBondContact NE2-O 3.26Å; T287-Q360 PolarHBondContact OG1-N 2.94Å; D334-Q360 VanDerWaalsContact CG-NE2 3.25Å; D334-Q360 PolarHBondContact OD1-NE2 3.05Å; D334-Q360 PolarHBondContact OD2-NE2 2.89Å; Q360-C362 PolarHBondContact O-N 3Å; Q360-C362 VanDerWaalsContact O-N 3.1Å; Q360-D363 WeakPolarHBondContact O-CB 3.43Å; Q360-D363 PolarHBondContact O-N 2.89Å; Q360-D363 VanDerWaalsContact O-N 3.15Å
361	P	98.8	Very high	98.5	Very high	29 Å²	29	14.3 Å²	14.3	19%	0.188	9%	0.089	C	C	.	.	H	α-helix	trans	-60.2	-20.1	179.4	-26	37.2	0	0	0	115.3	S359 D363 V364 W365 P464 R467	S359-P361 VanDerWaalsContact C-N 3.27Å; S359-P361 VanDerWaalsContact O-CD 3.24Å; S359-P361 WeakPolarHBondContact O-CD 3.4Å; S359-P361 WeakPolarHBondContact OG-CD 3.44Å; P361-D363 VanDerWaalsContact C-N 3.32Å; P361-V364 WeakPolarHBondContact O-CB 3.48Å; P361-V364 PolarHBondContact O-N 3.34Å; P361-W365 PolarHBondContact O-N 2.97Å; P361-P464 HydrophobicContact CB-CB 3.64Å; P361-P464 HydrophobicContact CG-CB 4.13Å; P361-P464 WeakPolarHBondContact CG-O 3.45Å; P361-R467 WeakPolarHBondContact O-CD 3.44Å; P361-R467 PolarHBondContact O-NH1 2.84Å
362	C	98.8	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.5	-36.2	176.8	69.7	0	0	0	0	111.8	A349 V352 W358 S359 Q360 V364 W365 S366	A349-C362 HydrophobicContact CB-CB 3.94Å; V352-C362 HydrophobicContact CG2-CB 4.32Å; W358-C362 HydrophobicContact CB-CB 4.37Å; S359-C362 PolarHBondContact O-N 3.49Å; S359-C362 PolarHBondContact O-SG 3.4Å; Q360-C362 PolarHBondContact O-N 3Å; Q360-C362 VanDerWaalsContact O-N 3.1Å; C362-V364 VanDerWaalsContact C-N 3.28Å; C362-V364 PolarHBondContact O-N 3.32Å; C362-W365 WeakPolarHBondContact O-CB 3.38Å; C362-W365 PolarHBondContact O-N 3.48Å; C362-S366 PolarHBondContact O-N 2.96Å; C362-S366 VanDerWaalsContact O-N 3.16Å; C362-S366 PolarHBondContact O-OG 2.82Å
363	D	98.9	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.2	-36.5	175.2	-69.3	-18.6	0	0	0	111.4	V278 H282 T287 H288 T289 L291 Q360 P361 W365 S366 I367	V278-D363 HydrophobicContact CG1-CB 3.89Å; H282-D363 IonicContact CD2-OD2 2.77Å; H282-D363 IonicContact CE1-OD2 2.81Å; H282-D363 IonicContact NE2-OD2 3.68Å; H282-D363 PolarHBondContact NE2-OD2 2.84Å; T287-D363 WeakPolarHBondContact CG2-OD2 3.5Å; H288-D363 PolarHBondContact N-OD1 2.84Å; H288-D363 PolarHBondContact N-OD2 3.4Å; T289-D363 WeakPolarHBondContact CA-OD1 3.44Å; T289-D363 PolarHBondContact N-OD1 3.11Å; L291-D363 HydrophobicContact CD1-CB 3.66Å; Q360-D363 WeakPolarHBondContact O-CB 3.43Å; Q360-D363 PolarHBondContact O-N 2.89Å; Q360-D363 VanDerWaalsContact O-N 3.15Å; P361-D363 VanDerWaalsContact C-N 3.32Å; D363-W365 VanDerWaalsContact C-N 3.33Å; D363-W365 PolarHBondContact O-N 3.25Å; D363-S366 WeakPolarHBondContact O-CB 3.33Å; D363-S366 PolarHBondContact O-N 3.08Å; D363-I367 VanDerWaalsContact O-CG1 3.24Å; D363-I367 WeakPolarHBondContact O-CG1 3.34Å; D363-I367 PolarHBondContact O-N 2.91Å
364	V	98.9	Very high	98.5	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.024	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-41.1	177	-175.7	0	0	0	0	111.4	P361 C362 I367 G368 M459 R467 L468 L470	P361-V364 WeakPolarHBondContact O-CB 3.48Å; P361-V364 PolarHBondContact O-N 3.34Å; C362-V364 VanDerWaalsContact C-N 3.28Å; C362-V364 PolarHBondContact O-N 3.32Å; V364-I367 WeakPolarHBondContact O-CB 3.48Å; V364-I367 PolarHBondContact O-N 2.77Å; V364-G368 PolarHBondContact O-N 2.93Å; V364-M459 HydrophobicContact CG1-CB 3.96Å; V364-M459 HydrophobicContact CG1-CG 3.74Å; V364-R467 HydrophobicContact CB-CG 4.38Å; V364-R467 HydrophobicContact CG1-CG 4.03Å; V364-L468 WeakPolarHBondContact CG1-O 3.4Å; V364-L470 HydrophobicContact CG1-CD2 4.42Å; V364-L470 HydrophobicContact CG2-CD2 4Å; V364-L470 HydrophobicContact CG2-CG 4.02Å
365	W	98.9	Very high	98.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.5	-43.6	175.5	179.4	-75.9	0	0	0	111.2	A349 P350 P361 C362 D363 I367 G368 C369 F381 M393 L397 L460 Y462	A349-W365 HydrophobicContact CB-CB 3.74Å; A349-W365 HydrophobicContact CB-CD2 4.33Å; A349-W365 HydrophobicContact CB-CG 3.76Å; P350-W365 VanDerWaalsContact CD-CD2 3.47Å; P350-W365 VanDerWaalsContact CD-CE3 3.41Å; P350-W365 VanDerWaalsContact CD-CZ3 3.5Å; P350-W365 HydrophobicContact CG-CE3 4Å; P350-W365 HydrophobicContact CG-CH2 3.9Å; P350-W365 HydrophobicContact CG-CZ2 4.44Å; P350-W365 HydrophobicContact CG-CZ3 3.65Å; P361-W365 PolarHBondContact O-N 2.97Å; C362-W365 WeakPolarHBondContact O-CB 3.38Å; C362-W365 PolarHBondContact O-N 3.48Å; D363-W365 VanDerWaalsContact C-N 3.33Å; D363-W365 PolarHBondContact O-N 3.25Å; W365-I367 VanDerWaalsContact C-N 3.31Å; W365-I367 PolarHBondContact O-N 3Å; W365-G368 PolarHBondContact O-N 3.41Å; W365-C369 PolarHBondContact O-N 3.13Å; W365-C369 PolarHBondContact O-SG 2.83Å; W365-F381 AromaticContact CZ2-CE2 3.71Å; W365-F381 HydrophobicContact CZ2-CE2 3.71Å; W365-F381 AromaticContact CZ2-CZ 3.94Å; W365-F381 HydrophobicContact CZ2-CZ 3.94Å; W365-M393 HydrophobicContact CH2-CE 4.28Å; W365-M393 HydrophobicContact CH2-CG 4.37Å; W365-M393 HydrophobicContact CH2-SD 3.98Å; W365-M393 HydrophobicContact CZ2-CE 3.52Å; W365-M393 HydrophobicContact CZ2-CG 4.11Å; W365-M393 HydrophobicContact CZ2-SD 3.8Å; W365-L397 HydrophobicContact CH2-CD1 3.43Å; W365-L397 VanDerWaalsContact CH2-CD1 3.43Å; W365-L397 HydrophobicContact CZ2-CD1 4.13Å; W365-L397 HydrophobicContact CZ3-CD1 4.15Å; W365-L460 HydrophobicContact CD2-CD2 3.66Å; W365-L460 HydrophobicContact CE3-CB 4.39Å; W365-L460 HydrophobicContact CE3-CD2 3.96Å; W365-L460 HydrophobicContact CG-CD2 4.01Å; W365-L460 HydrophobicContact CH2-CD2 4.49Å; W365-L460 HydrophobicContact CZ2-CD2 4.19Å; W365-L460 HydrophobicContact CZ3-CB 4.22Å; W365-L460 HydrophobicContact CZ3-CD2 4.38Å; W365-L460 WeakPolarHBondContact CZ3-O 3.42Å; W365-Y462 HydrophobicContact CH2-CD1 4.44Å; W365-Y462 HydrophobicContact CH2-CE1 4.49Å
366	S	98.9	Very high	98.5	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.6	-45.2	174.1	-52.9	0	0	0	0	111.2	Y347 C362 D363 G368 C369 I370	Y347-S366 PolarHBondContact O-OG 2.91Å; Y347-S366 VanDerWaalsContact O-OG 3.07Å; C362-S366 PolarHBondContact O-N 2.96Å; C362-S366 VanDerWaalsContact O-N 3.16Å; C362-S366 PolarHBondContact O-OG 2.82Å; D363-S366 WeakPolarHBondContact O-CB 3.33Å; D363-S366 PolarHBondContact O-N 3.08Å; S366-G368 PolarHBondContact O-N 3.35Å; S366-C369 WeakPolarHBondContact O-CB 3.19Å; S366-C369 PolarHBondContact O-N 3.23Å; S366-I370 WeakPolarHBondContact O-CB 3.46Å; S366-I370 WeakPolarHBondContact O-CD1 3.2Å; S366-I370 WeakPolarHBondContact O-CG1 3.33Å; S366-I370 PolarHBondContact O-N 3.36Å
367	I	98.9	Very high	98.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.6	-44.7	176.1	-69	166.6	0	0	0	111.2	L274 V278 L291 D363 V364 W365 C369 I370 I371 M459 L470	L274-I367 HydrophobicContact CD2-CB 4.39Å; L274-I367 HydrophobicContact CD2-CG1 3.9Å; L274-I367 HydrophobicContact CD2-CG2 4.07Å; L274-I367 HydrophobicContact CG-CD1 4.25Å; L274-I367 HydrophobicContact CG-CG1 3.93Å; L274-I367 HydrophobicContact CG-CG2 4.43Å; V278-I367 HydrophobicContact CB-CD1 4Å; V278-I367 HydrophobicContact CG1-CD1 4.06Å; V278-I367 HydrophobicContact CG2-CD1 4.13Å; L291-I367 HydrophobicContact CD1-CD1 4.05Å; L291-I367 HydrophobicContact CD1-CG1 3.91Å; D363-I367 VanDerWaalsContact O-CG1 3.24Å; D363-I367 WeakPolarHBondContact O-CG1 3.34Å; D363-I367 PolarHBondContact O-N 2.91Å; V364-I367 WeakPolarHBondContact O-CB 3.48Å; V364-I367 PolarHBondContact O-N 2.77Å; W365-I367 VanDerWaalsContact C-N 3.31Å; W365-I367 PolarHBondContact O-N 3Å; I367-C369 VanDerWaalsContact C-N 3.32Å; I367-C369 PolarHBondContact O-N 3.45Å; I367-I370 PolarHBondContact O-N 3.33Å; I367-I371 HydrophobicContact CG2-CD1 3.53Å; I367-I371 HydrophobicContact CG2-CG1 4.21Å; I367-I371 WeakPolarHBondContact O-CB 3.32Å; I367-I371 VanDerWaalsContact O-CG1 3.24Å; I367-I371 WeakPolarHBondContact O-CG1 3.31Å; I367-I371 PolarHBondContact O-N 2.85Å; I367-M459 HydrophobicContact CG2-CE 3.79Å; I367-M459 HydrophobicContact CG2-SD 3.85Å; I367-L470 HydrophobicContact CD1-CD1 3.96Å; I367-L470 HydrophobicContact CD1-CD2 3.91Å
368	G	98.9	Very high	98.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.5	-41.2	174.8	0	0	0	0	0	113.1	V364 W365 S366 F372	V364-G368 PolarHBondContact O-N 2.93Å; W365-G368 PolarHBondContact O-N 3.41Å; S366-G368 PolarHBondContact O-N 3.35Å; G368-F372 PolarHBondContact O-N 2.92Å; G368-F372 VanDerWaalsContact O-N 3.17Å
369	C	98.9	Very high	98.5	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.007	5%	0.05	C	C	.	.	H	α-helix	trans	-66.7	-42.4	175.4	-62	0	0	0	0	112.5	Y347 W365 S366 I367 F372 E373	Y347-C369 HydrophobicContact CD1-CB 3.87Å; W365-C369 PolarHBondContact O-N 3.13Å; W365-C369 PolarHBondContact O-SG 2.83Å; S366-C369 WeakPolarHBondContact O-CB 3.19Å; S366-C369 PolarHBondContact O-N 3.23Å; I367-C369 VanDerWaalsContact C-N 3.32Å; I367-C369 PolarHBondContact O-N 3.45Å; C369-F372 PolarHBondContact O-N 3.44Å; C369-E373 PolarHBondContact O-N 2.61Å
370	I	98.9	Very high	98.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.2	-45	178.4	-70.3	160.5	0	0	0	111.2	L274 L291 P293 I296 Y347 S366 I367 F372 E373 Y374	L274-I370 HydrophobicContact CD2-CG2 4.07Å; L291-I370 HydrophobicContact CB-CD1 4.08Å; P293-I370 HydrophobicContact CG-CG1 4.16Å; P293-I370 HydrophobicContact CG-CG2 4.39Å; I296-I370 HydrophobicContact CD1-CD1 4.07Å; I296-I370 HydrophobicContact CD1-CG2 3.97Å; Y347-I370 HydrophobicContact CD1-CG1 4.13Å; Y347-I370 HydrophobicContact CE1-CG1 4.37Å; S366-I370 WeakPolarHBondContact O-CB 3.46Å; S366-I370 WeakPolarHBondContact O-CD1 3.2Å; S366-I370 WeakPolarHBondContact O-CG1 3.33Å; S366-I370 PolarHBondContact O-N 3.36Å; I367-I370 PolarHBondContact O-N 3.33Å; I370-F372 VanDerWaalsContact C-N 3.33Å; I370-F372 PolarHBondContact O-N 2.7Å; I370-E373 PolarHBondContact O-N 3.37Å; I370-Y374 HydrophobicContact CG2-CD1 4.39Å; I370-Y374 HydrophobicContact CG2-CD2 4.21Å; I370-Y374 HydrophobicContact CG2-CE1 3.79Å; I370-Y374 HydrophobicContact CG2-CE2 3.59Å; I370-Y374 WeakPolarHBondContact CG2-OH 3.26Å; I370-Y374 PolarHBondContact O-N 2.75Å
371	I	98.9	Very high	98.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.6	-39.2	179.5	-69	171	0	0	0	110.8	V267 A271 I367 Y375 L452 I456 M459	V267-I371 HydrophobicContact CG1-CG2 4.1Å; A271-I371 HydrophobicContact CB-CD1 3.59Å; A271-I371 HydrophobicContact CB-CG1 3.81Å; I367-I371 HydrophobicContact CG2-CD1 3.53Å; I367-I371 HydrophobicContact CG2-CG1 4.21Å; I367-I371 WeakPolarHBondContact O-CB 3.32Å; I367-I371 VanDerWaalsContact O-CG1 3.24Å; I367-I371 WeakPolarHBondContact O-CG1 3.31Å; I367-I371 PolarHBondContact O-N 2.85Å; I371-Y375 WeakPolarHBondContact O-CB 3.28Å; I371-Y375 PolarHBondContact O-N 2.71Å; I371-L452 HydrophobicContact CG2-CD1 3.47Å; I371-L452 VanDerWaalsContact CG2-CD1 3.47Å; I371-I456 HydrophobicContact CB-CG1 4.41Å; I371-I456 HydrophobicContact CG2-CD1 3.99Å; I371-I456 HydrophobicContact CG2-CG1 3.87Å; I371-M459 HydrophobicContact CD1-CE 4.2Å; I371-M459 HydrophobicContact CD1-SD 3.89Å
372	F	98.8	Very high	98.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60	-48.3	170.9	175.5	-87.8	0	0	0	111.5	G368 C369 I370 Y374 Y375 V376 F378 L380 L438 Y441 F453 I456	G368-F372 PolarHBondContact O-N 2.92Å; G368-F372 VanDerWaalsContact O-N 3.17Å; C369-F372 PolarHBondContact O-N 3.44Å; I370-F372 VanDerWaalsContact C-N 3.33Å; I370-F372 PolarHBondContact O-N 2.7Å; F372-Y374 PolarHBondContact O-N 3.5Å; F372-Y375 WeakPolarHBondContact O-CB 3.47Å; F372-Y375 PolarHBondContact O-N 2.83Å; F372-V376 HydrophobicContact CD1-CG2 3.81Å; F372-V376 HydrophobicContact CD2-CG1 4.43Å; F372-V376 HydrophobicContact CE1-CB 4.46Å; F372-V376 HydrophobicContact CE1-CG1 4.3Å; F372-V376 HydrophobicContact CE1-CG2 3.34Å; F372-V376 HydrophobicContact CE2-CG1 4Å; F372-V376 HydrophobicContact CZ-CB 4.46Å; F372-V376 HydrophobicContact CZ-CG1 3.92Å; F372-V376 HydrophobicContact CZ-CG2 3.74Å; F372-V376 PolarHBondContact O-N 2.84Å; F372-F378 HydrophobicContact CE1-CD2 4.3Å; F372-F378 HydrophobicContact CE1-CE2 4.01Å; F372-F378 HydrophobicContact CZ-CE2 4.16Å; F372-L380 HydrophobicContact CD1-CB 3.61Å; F372-L380 HydrophobicContact CD1-CD1 3.75Å; F372-L380 HydrophobicContact CD1-CG 4.18Å; F372-L380 HydrophobicContact CD2-CD1 3.96Å; F372-L380 HydrophobicContact CE1-CB 3.92Å; F372-L380 HydrophobicContact CE1-CD1 3.51Å; F372-L380 HydrophobicContact CE1-CG 4.31Å; F372-L380 HydrophobicContact CE2-CD1 3.73Å; F372-L380 HydrophobicContact CG-CB 4.22Å; F372-L380 HydrophobicContact CG-CD1 3.96Å; F372-L380 HydrophobicContact CG-CD2 4.44Å; F372-L380 HydrophobicContact CG-CG 4.44Å; F372-L380 HydrophobicContact CZ-CD1 3.51Å; F372-L438 HydrophobicContact CD2-CD1 3.78Å; F372-L438 HydrophobicContact CE2-CD1 3.77Å; F372-Y441 HydrophobicContact CE2-CD1 4.43Å; F372-Y441 AromaticContact CE2-CD2 3.66Å; F372-Y441 HydrophobicContact CE2-CD2 3.66Å; F372-Y441 HydrophobicContact CE2-CE2 4.43Å; F372-Y441 AromaticContact CE2-CG 3.67Å; F372-Y441 HydrophobicContact CE2-CG 3.67Å; F372-Y441 HydrophobicContact CZ-CD1 4.02Å; F372-Y441 AromaticContact CZ-CD2 3.79Å; F372-Y441 HydrophobicContact CZ-CD2 3.79Å; F372-Y441 HydrophobicContact CZ-CE1 4.41Å; F372-Y441 HydrophobicContact CZ-CE2 4.21Å; F372-Y441 AromaticContact CZ-CG 3.7Å; F372-Y441 HydrophobicContact CZ-CG 3.7Å; F372-F453 HydrophobicContact CD2-CZ 4.49Å; F372-I456 HydrophobicContact CB-CD1 4.39Å
373	E	98.7	Very high	98.1	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-63.8	-40.5	-178.4	177.3	158	-162.7	0	0	112.8	L254 Y347 C369 I370 Y375 V376 G377 F378 T379	L254-E373 HydrophobicContact CD2-CG 4.25Å; Y347-E373 WeakPolarHBondContact CE1-OE2 3.37Å; Y347-E373 PolarHBondContact OH-OE2 2.86Å; C369-E373 PolarHBondContact O-N 2.61Å; I370-E373 PolarHBondContact O-N 3.37Å; E373-Y375 PolarHBondContact O-N 3.22Å; E373-V376 PolarHBondContact O-N 2.83Å; E373-G377 VanDerWaalsContact O-CA 3.26Å; E373-G377 WeakPolarHBondContact O-CA 3.3Å; E373-G377 PolarHBondContact O-N 3.06Å; E373-F378 WeakPolarHBondContact CA-O 3.26Å; E373-T379 WeakPolarHBondContact OE1-CG2 3.33Å; E373-T379 PolarHBondContact OE1-N 3.19Å; E373-T379 WeakPolarHBondContact OE2-CG2 3.33Å
374	Y	98.8	Very high	97.9	Very high	1 Å²	1	12.7 Å²	12.7	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-58.4	-33.8	171.5	-66	-15.9	0	0	0	112.7	T250 P261 Y262 M270 P293 I296 I370 F372	T250-Y374 HydrophobicContact CG2-CE1 4.26Å; T250-Y374 WeakPolarHBondContact OG1-CE1 3.45Å; T250-Y374 PolarHBondContact OG1-OH 3.12Å; T250-Y374 VanDerWaalsContact OG1-OH 3.05Å; P261-Y374 WeakPolarHBondContact CB-O 3.42Å; Y262-Y374 HydrophobicContact CD2-CD1 4.11Å; Y262-Y374 HydrophobicContact CD2-CG 4.14Å; Y262-Y374 HydrophobicContact CE2-CD1 4Å; Y262-Y374 HydrophobicContact CE2-CG 4.45Å; Y262-Y374 PolarHBondContact N-O 3.43Å; M270-Y374 HydrophobicContact CB-CD2 4.45Å; M270-Y374 HydrophobicContact CB-CE2 4.1Å; M270-Y374 HydrophobicContact CE-CD2 3.9Å; M270-Y374 HydrophobicContact CE-CE2 4.18Å; M270-Y374 HydrophobicContact CE-CG 4.22Å; P293-Y374 HydrophobicContact CB-CE1 4.13Å; P293-Y374 HydrophobicContact CG-CE1 4.39Å; I296-Y374 VanDerWaalsContact CD1-OH 3.26Å; I296-Y374 WeakPolarHBondContact CD1-OH 3.48Å; I370-Y374 HydrophobicContact CG2-CD1 4.39Å; I370-Y374 HydrophobicContact CG2-CD2 4.21Å; I370-Y374 HydrophobicContact CG2-CE1 3.79Å; I370-Y374 HydrophobicContact CG2-CE2 3.59Å; I370-Y374 WeakPolarHBondContact CG2-OH 3.26Å; I370-Y374 PolarHBondContact O-N 2.75Å; F372-Y374 PolarHBondContact O-N 3.5Å
375	Y	98.6	Very high	97.8	Very high	8 Å²	8	15.8 Å²	15.8	3%	0.031	8%	0.077	C	C	.	.	H	α-helix	trans	-84	-31.8	-175.2	175.9	-103.4	0	0	0	114.2	P261 I264 I371 F372 E373 T443 H449 L452 F453	P261-Y375 WeakPolarHBondContact CB-O 3.29Å; I264-Y375 HydrophobicContact CD1-CE2 4.31Å; I371-Y375 WeakPolarHBondContact O-CB 3.28Å; I371-Y375 PolarHBondContact O-N 2.71Å; F372-Y375 WeakPolarHBondContact O-CB 3.47Å; F372-Y375 PolarHBondContact O-N 2.83Å; E373-Y375 PolarHBondContact O-N 3.22Å; Y375-T443 HydrophobicContact CE1-CG2 4.04Å; Y375-T443 WeakPolarHBondContact OH-CB 3.32Å; Y375-T443 PolarHBondContact OH-N 2.85Å; Y375-T443 PolarHBondContact OH-OG1 3.03Å; Y375-H449 AromaticContact CE2-CE1 3.85Å; Y375-H449 AromaticContact CE2-ND1 3.4Å; Y375-H449 WeakPolarHBondContact CE2-ND1 3.17Å; Y375-H449 AromaticContact CZ-ND1 3.53Å; Y375-H449 PolarHBondContact OH-ND1 3.43Å; Y375-L452 HydrophobicContact CD1-CD2 4.36Å; Y375-L452 HydrophobicContact CD2-CD2 3.43Å; Y375-L452 VanDerWaalsContact CD2-CD2 3.43Å; Y375-L452 HydrophobicContact CE2-CD2 3.92Å; Y375-L452 HydrophobicContact CG-CD2 3.68Å; Y375-F453 AromaticContact CD1-CE2 3.6Å; Y375-F453 HydrophobicContact CD1-CE2 3.6Å; Y375-F453 AromaticContact CD1-CZ 3.87Å; Y375-F453 HydrophobicContact CD1-CZ 3.87Å; Y375-F453 AromaticContact CE1-CE2 3.32Å; Y375-F453 HydrophobicContact CE1-CE2 3.32Å; Y375-F453 AromaticContact CE1-CZ 3.69Å; Y375-F453 HydrophobicContact CE1-CZ 3.69Å
376	V	97.6	Very high	97.7	Very high	19 Å²	19	16.8 Å²	16.8	12%	0.115	8%	0.083	C	C	.	.	H	α-helix	trans	-107.9	-17	179.6	-51.2	0	0	0	0	114.7	F372 E373 F378	F372-V376 HydrophobicContact CD1-CG2 3.81Å; F372-V376 HydrophobicContact CD2-CG1 4.43Å; F372-V376 HydrophobicContact CE1-CB 4.46Å; F372-V376 HydrophobicContact CE1-CG1 4.3Å; F372-V376 HydrophobicContact CE1-CG2 3.34Å; F372-V376 HydrophobicContact CE2-CG1 4Å; F372-V376 HydrophobicContact CZ-CB 4.46Å; F372-V376 HydrophobicContact CZ-CG1 3.92Å; F372-V376 HydrophobicContact CZ-CG2 3.74Å; F372-V376 PolarHBondContact O-N 2.84Å; E373-V376 PolarHBondContact O-N 2.83Å; V376-F378 HydrophobicContact CB-CD1 4Å; V376-F378 HydrophobicContact CB-CE1 3.66Å; V376-F378 HydrophobicContact CB-CZ 4.01Å; V376-F378 HydrophobicContact CG2-CD1 3.53Å; V376-F378 HydrophobicContact CG2-CD2 3.82Å; V376-F378 HydrophobicContact CG2-CE1 3.51Å; V376-F378 HydrophobicContact CG2-CE2 3.79Å; V376-F378 HydrophobicContact CG2-CG 3.68Å; V376-F378 HydrophobicContact CG2-CZ 3.64Å; V376-F378 WeakPolarHBondContact CG2-O 3.4Å; V376-F378 WeakPolarHBondContact O-CD1 3.45Å
377	G	97	Very high	97.6	Very high	1 Å²	1	20 Å²	20	1%	0.01	10%	0.095	C	C	.	.	S	Bend	trans	87	8.1	-178.2	0	0	0	0	0	114.8	Y73 E373	Y73-G377 WeakPolarHBondContact CE1-O 3.4Å; E373-G377 VanDerWaalsContact O-CA 3.26Å; E373-G377 WeakPolarHBondContact O-CA 3.3Å; E373-G377 PolarHBondContact O-N 3.06Å
378	F	96.3	Very high	97.6	Very high	42 Å²	42	21.3 Å²	21.3	18%	0.184	10%	0.101	C	C	.	.	S	Bend	trans	-148.3	151.1	-178.1	61.7	-96.8	0	0	0	114.2	Y73 F372 E373 V376 Y441	Y73-F378 HydrophobicContact CD1-CB 4.29Å; Y73-F378 HydrophobicContact CD2-CB 3.93Å; Y73-F378 HydrophobicContact CE1-CB 3.76Å; Y73-F378 HydrophobicContact CE2-CB 3.36Å; Y73-F378 HydrophobicContact CE2-CG 4.49Å; Y73-F378 HydrophobicContact CG-CB 4.37Å; Y73-F378 WeakPolarHBondContact OH-CA 3.36Å; F372-F378 HydrophobicContact CE1-CD2 4.3Å; F372-F378 HydrophobicContact CE1-CE2 4.01Å; F372-F378 HydrophobicContact CZ-CE2 4.16Å; E373-F378 WeakPolarHBondContact CA-O 3.26Å; V376-F378 HydrophobicContact CB-CD1 4Å; V376-F378 HydrophobicContact CB-CE1 3.66Å; V376-F378 HydrophobicContact CB-CZ 4.01Å; V376-F378 HydrophobicContact CG2-CD1 3.53Å; V376-F378 HydrophobicContact CG2-CD2 3.82Å; V376-F378 HydrophobicContact CG2-CE1 3.51Å; V376-F378 HydrophobicContact CG2-CE2 3.79Å; V376-F378 HydrophobicContact CG2-CG 3.68Å; V376-F378 HydrophobicContact CG2-CZ 3.64Å; V376-F378 WeakPolarHBondContact CG2-O 3.4Å; V376-F378 WeakPolarHBondContact O-CD1 3.45Å; F378-Y441 HydrophobicContact CE2-CE1 4.16Å; F378-Y441 AromaticContact CZ-CD1 3.98Å; F378-Y441 HydrophobicContact CZ-CD1 3.98Å; F378-Y441 AromaticContact CZ-CE1 3.91Å; F378-Y441 HydrophobicContact CZ-CE1 3.91Å
379	T	97.9	Very high	97.5	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.031	10%	0.101	C	C	.	.			trans	-57.7	138.3	179.6	67.3	0	0	0	0	112.1	H346 E373 F381 Q382	H346-T379 HydrophobicContact CB-CG2 4.45Å; E373-T379 WeakPolarHBondContact OE1-CG2 3.33Å; E373-T379 PolarHBondContact OE1-N 3.19Å; E373-T379 WeakPolarHBondContact OE2-CG2 3.33Å; T379-F381 VanDerWaalsContact C-N 3.34Å; T379-F381 PolarHBondContact O-N 2.87Å; T379-Q382 WeakPolarHBondContact OG1-CB 3.35Å; T379-Q382 PolarHBondContact OG1-OE1 3.17Å
380	L	98.2	Very high	97.5	Very high	9 Å²	9	21.3 Å²	21.3	5%	0.047	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-36.3	178.6	-175.4	58.1	0	0	0	112.6	F372 I396 L438 L460	F372-L380 HydrophobicContact CD1-CB 3.61Å; F372-L380 HydrophobicContact CD1-CD1 3.75Å; F372-L380 HydrophobicContact CD1-CG 4.18Å; F372-L380 HydrophobicContact CD2-CD1 3.96Å; F372-L380 HydrophobicContact CE1-CB 3.92Å; F372-L380 HydrophobicContact CE1-CD1 3.51Å; F372-L380 HydrophobicContact CE1-CG 4.31Å; F372-L380 HydrophobicContact CE2-CD1 3.73Å; F372-L380 HydrophobicContact CG-CB 4.22Å; F372-L380 HydrophobicContact CG-CD1 3.96Å; F372-L380 HydrophobicContact CG-CD2 4.44Å; F372-L380 HydrophobicContact CG-CG 4.44Å; F372-L380 HydrophobicContact CZ-CD1 3.51Å; L380-I396 HydrophobicContact CD1-CD1 3.98Å; L380-I396 HydrophobicContact CD1-CG2 4.1Å; L380-I396 HydrophobicContact CG-CD1 4.39Å; L380-L438 HydrophobicContact CD1-CD1 4.2Å; L380-L460 HydrophobicContact CD2-CD1 3.43Å; L380-L460 VanDerWaalsContact CD2-CD1 3.43Å
381	F	98.2	Very high	97.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	66.9	-172.7	-57.4	-61.9	0	0	0	111.8	H346 W365 T379 T383 H389 M392 M393 I396 L397	H346-F381 PolarHBondContact CD2-O 2.88Å; W365-F381 AromaticContact CZ2-CE2 3.71Å; W365-F381 HydrophobicContact CZ2-CE2 3.71Å; W365-F381 AromaticContact CZ2-CZ 3.94Å; W365-F381 HydrophobicContact CZ2-CZ 3.94Å; T379-F381 VanDerWaalsContact C-N 3.34Å; T379-F381 PolarHBondContact O-N 2.87Å; F381-T383 PolarHBondContact O-N 2.69Å; F381-H389 WeakPolarHBondContact CB-NE2 3.48Å; F381-H389 AromaticContact CD1-CD2 3.89Å; F381-H389 AromaticContact CD1-NE2 3.92Å; F381-H389 AromaticContact CD2-NE2 3.37Å; F381-H389 WeakPolarHBondContact CD2-NE2 3.33Å; F381-H389 AromaticContact CG-CD2 3.63Å; F381-H389 AromaticContact CG-NE2 3.23Å; F381-H389 WeakPolarHBondContact CG-NE2 3.49Å; F381-M392 HydrophobicContact CD1-CB 3.88Å; F381-M392 HydrophobicContact CE1-CB 4.42Å; F381-M393 HydrophobicContact CD1-CG 4.36Å; F381-M393 HydrophobicContact CE1-CB 4.36Å; F381-M393 HydrophobicContact CE1-CG 3.76Å; F381-M393 HydrophobicContact CZ-CG 3.85Å; F381-I396 HydrophobicContact CD1-CD1 4.02Å; F381-I396 HydrophobicContact CE1-CD1 3.7Å; F381-L397 HydrophobicContact CZ-CD1 4.24Å
382	Q	95.3	Very high	97.5	Very high	41 Å²	41	21.8 Å²	21.8	19%	0.192	10%	0.104	C	C	.	.			trans	-70.5	85.8	176.7	-166.9	62.1	75.9	0	0	112.5	H346 T379	H346-Q382 PolarHBondContact NE2-NE2 3.27Å; T379-Q382 WeakPolarHBondContact OG1-CB 3.35Å; T379-Q382 PolarHBondContact OG1-OE1 3.17Å
383	T	95.6	Very high	97.5	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	10%	0.104	C	C	.	.			trans	-152.6	159.6	179.9	175	0	0	0	0	112.5	R345 F381 D385 E388 H389 M392	R345-T383 WeakPolarHBondContact CD-O 3.41Å; F381-T383 PolarHBondContact O-N 2.69Å; T383-D385 PolarHBondContact OG1-N 3.22Å; T383-E388 VanDerWaalsContact CB-OE2 3.29Å; T383-E388 WeakPolarHBondContact CB-OE2 3.48Å; T383-E388 PolarHBondContact OG1-OE2 3.32Å; T383-H389 HydrophobicContact CG2-CB 3.6Å; T383-M392 HydrophobicContact CG2-SD 3.62Å
384	H	93	Very high	97.5	Very high	132 Å²	132	24.3 Å²	24.3	61%	0.611	12%	0.116	S	C	*	.	S	Bend	trans	-116.3	2.5	174.5	-58.6	-50.5	0	0	0	114.6	R345 H346	R345-H384 VanDerWaalsContact CD-CA 3.47Å; R345-H384 PolarHBondContact NE-O 3.17Å; R345-H384 VanDerWaalsContact NE-O 3.16Å; R345-H384 PolarHBondContact NH2-O 3.4Å; R345-H384 VanDerWaalsContact NH2-O 3.15Å; H346-H384 AromaticContact NE2-CE1 3.72Å
385	D	96.6	Very high	97.5	Very high	70 Å²	70	28.6 Å²	28.6	37%	0.374	13%	0.132	S	C	.	.			trans	-113.4	158.9	175.4	172.3	-117.6	0	0	0	112.2	R345 T383 R387 E388 H389	R345-D385 PolarHBondContact NH1-O 3.47Å; T383-D385 PolarHBondContact OG1-N 3.22Å; D385-R387 WeakPolarHBondContact OD1-CA 3.33Å; D385-R387 VanDerWaalsContact OD1-CB 3.28Å; D385-R387 WeakPolarHBondContact OD1-CB 3.48Å; D385-R387 PolarHBondContact OD1-N 3.42Å; D385-E388 HydrophobicContact CB-CB 4.08Å; D385-E388 PolarHBondContact OD1-N 2.9Å; D385-H389 WeakPolarHBondContact O-CB 3.22Å; D385-H389 PolarHBondContact O-N 3.1Å
386	N	97.4	Very high	97.5	Very high	21 Å²	21	28.4 Å²	28.4	11%	0.112	13%	0.131	C	C	.	.	H	α-helix	trans	-80.2	-38.8	176.1	-74.1	3.6	0	0	0	113	R345 I353 L390 Y413	R345-N386 PolarHBondContact NH1-OD1 2.88Å; I353-N386 HydrophobicContact CG2-CB 3.96Å; N386-L390 WeakPolarHBondContact O-CG 3.41Å; N386-L390 PolarHBondContact O-N 3.22Å; N386-L390 VanDerWaalsContact O-N 3.13Å; N386-Y413 HydrophobicContact CB-CE1 4.49Å; N386-Y413 HydrophobicContact CB-CE2 4Å; N386-Y413 VanDerWaalsContact CB-OH 3.3Å; N386-Y413 WeakPolarHBondContact CB-OH 3.46Å; N386-Y413 PolarHBondContact ND2-OH 3.02Å; N386-Y413 VanDerWaalsContact ND2-OH 3.09Å
387	R	97.3	Very high	97.5	Very high	67 Å²	67	29.6 Å²	29.6	25%	0.253	14%	0.137	S	C	.	.	H	α-helix	trans	-75.7	-39.1	-177.4	-171.7	-166.3	-88.2	-149.9	-3.3	110.3	D385 L390 A391 K412 Y413 D420 W421	D385-R387 WeakPolarHBondContact OD1-CA 3.33Å; D385-R387 VanDerWaalsContact OD1-CB 3.28Å; D385-R387 WeakPolarHBondContact OD1-CB 3.48Å; D385-R387 PolarHBondContact OD1-N 3.42Å; R387-L390 PolarHBondContact O-N 3.17Å; R387-A391 PolarHBondContact O-N 2.99Å; R387-K412 PolarHBondContact NH2-O 3.46Å; R387-Y413 HydrophobicContact CB-CD1 4.06Å; R387-Y413 HydrophobicContact CB-CE1 4.34Å; R387-Y413 HydrophobicContact CG-CD1 4.36Å; R387-D420 WeakPolarHBondContact CD-O 3.28Å; R387-D420 VanDerWaalsContact CZ-O 3.3Å; R387-D420 IonicContact CZ-OD2 2.71Å; R387-D420 VanDerWaalsContact NH1-CG 3.33Å; R387-D420 PolarHBondContact NH1-O 3.5Å; R387-D420 IonicContact NH1-OD2 3.93Å; R387-D420 PolarHBondContact NH1-OD2 3.26Å; R387-D420 IonicContact NH2-OD2 3.43Å; R387-D420 PolarHBondContact NH2-OD2 3.13Å; R387-W421 HydrophobicContact CG-CE3 3.96Å; R387-W421 HydrophobicContact CG-CZ3 4.26Å
388	E	98.2	Very high	97.6	Very high	28 Å²	28	30.8 Å²	30.8	13%	0.131	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-45.2	169.2	-173.2	174.2	-121.2	0	0	111.6	T383 D385 L390 A391 M392 W421 A427 V431	T383-E388 VanDerWaalsContact CB-OE2 3.29Å; T383-E388 WeakPolarHBondContact CB-OE2 3.48Å; T383-E388 PolarHBondContact OG1-OE2 3.32Å; D385-E388 HydrophobicContact CB-CB 4.08Å; D385-E388 PolarHBondContact OD1-N 2.9Å; E388-L390 PolarHBondContact O-N 3.29Å; E388-A391 CarbonylContact O-C 3.47Å; E388-A391 WeakPolarHBondContact O-CA 3.43Å; E388-A391 WeakPolarHBondContact O-CB 3.24Å; E388-A391 PolarHBondContact O-N 3.21Å; E388-M392 HydrophobicContact CG-CG 4.5Å; E388-M392 HydrophobicContact CG-SD 4.48Å; E388-M392 WeakPolarHBondContact O-CG 3.35Å; E388-M392 PolarHBondContact O-N 3.39Å; E388-W421 HydrophobicContact CB-CH2 3.63Å; E388-W421 HydrophobicContact CB-CZ3 4.08Å; E388-W421 HydrophobicContact CG-CH2 3.78Å; E388-W421 HydrophobicContact CG-CZ2 4.26Å; E388-A427 WeakPolarHBondContact OE1-CB 3.28Å; E388-V431 HydrophobicContact CG-CG2 3.75Å
389	H	98.6	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.9	-46	176.6	-162.9	172.9	0	0	0	111.9	R345 I353 F381 T383 D385 A391 M392 M393	R345-H389 PolarHBondContact O-CE1 3.13Å; I353-H389 HydrophobicContact CD1-CB 4.32Å; I353-H389 WeakPolarHBondContact CD1-ND1 3.32Å; F381-H389 WeakPolarHBondContact CB-NE2 3.48Å; F381-H389 AromaticContact CD1-CD2 3.89Å; F381-H389 AromaticContact CD1-NE2 3.92Å; F381-H389 AromaticContact CD2-NE2 3.37Å; F381-H389 WeakPolarHBondContact CD2-NE2 3.33Å; F381-H389 AromaticContact CG-CD2 3.63Å; F381-H389 AromaticContact CG-NE2 3.23Å; F381-H389 WeakPolarHBondContact CG-NE2 3.49Å; T383-H389 HydrophobicContact CG2-CB 3.6Å; D385-H389 WeakPolarHBondContact O-CB 3.22Å; D385-H389 PolarHBondContact O-N 3.1Å; H389-A391 VanDerWaalsContact C-N 3.28Å; H389-A391 PolarHBondContact O-N 2.86Å; H389-M392 PolarHBondContact O-N 3.01Å; H389-M393 WeakPolarHBondContact NE2-CE 3.35Å; H389-M393 WeakPolarHBondContact O-CG 3.33Å; H389-M393 PolarHBondContact O-N 3.17Å
390	L	98.6	Very high	97.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-34.4	174.8	-66.6	169.8	0	0	0	112.4	I353 L354 N386 R387 E388 M393 E394 I400 Y413 F414 L419	I353-L390 HydrophobicContact CG2-CD1 4.12Å; I353-L390 HydrophobicContact CG2-CD2 4.16Å; I353-L390 HydrophobicContact CG2-CG 4.06Å; L354-L390 HydrophobicContact CD2-CD1 3.83Å; L354-L390 HydrophobicContact CD2-CD2 4.23Å; L354-L390 HydrophobicContact CG-CD2 4.31Å; N386-L390 WeakPolarHBondContact O-CG 3.41Å; N386-L390 PolarHBondContact O-N 3.22Å; N386-L390 VanDerWaalsContact O-N 3.13Å; R387-L390 PolarHBondContact O-N 3.17Å; E388-L390 PolarHBondContact O-N 3.29Å; L390-M393 HydrophobicContact CD2-SD 4.22Å; L390-M393 PolarHBondContact O-N 2.89Å; L390-E394 PolarHBondContact O-N 3.15Å; L390-I400 HydrophobicContact CB-CD1 4.03Å; L390-I400 HydrophobicContact CD2-CD1 3.85Å; L390-I400 HydrophobicContact CG-CD1 4.43Å; L390-Y413 HydrophobicContact CD1-CD2 3.82Å; L390-Y413 HydrophobicContact CD1-CG 4.39Å; L390-F414 HydrophobicContact CD1-CZ 4.24Å; L390-L419 HydrophobicContact CB-CD1 3.75Å; L390-L419 HydrophobicContact CB-CD2 4.09Å; L390-L419 HydrophobicContact CD1-CD1 4.08Å
391	A	98.6	Very high	97.7	Very high	6 Å²	6	34.9 Å²	34.9	5%	0.05	18%	0.181	C	C	.	.	H	α-helix	trans	-71.1	-34.9	174.8	0	0	0	0	0	113	R387 E388 H389 R395 L419 W421 V431	R387-A391 PolarHBondContact O-N 2.99Å; E388-A391 CarbonylContact O-C 3.47Å; E388-A391 WeakPolarHBondContact O-CA 3.43Å; E388-A391 WeakPolarHBondContact O-CB 3.24Å; E388-A391 PolarHBondContact O-N 3.21Å; H389-A391 VanDerWaalsContact C-N 3.28Å; H389-A391 PolarHBondContact O-N 2.86Å; A391-R395 WeakPolarHBondContact O-CB 3.28Å; A391-R395 PolarHBondContact O-N 2.97Å; A391-R395 VanDerWaalsContact O-N 3.15Å; A391-L419 HydrophobicContact CB-CD2 3.66Å; A391-W421 HydrophobicContact CB-CD2 3.58Å; A391-W421 HydrophobicContact CB-CE3 4.14Å; A391-W421 HydrophobicContact CB-CG 3.8Å; A391-W421 HydrophobicContact CB-CZ2 4.01Å; A391-V431 HydrophobicContact CB-CG1 4.4Å
392	M	98.7	Very high	97.6	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.02	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-44.7	171.6	-63	176.8	88	0	0	110.6	F381 T383 E388 H389 R395 I396 Y430 V431 C435	F381-M392 HydrophobicContact CD1-CB 3.88Å; F381-M392 HydrophobicContact CE1-CB 4.42Å; T383-M392 HydrophobicContact CG2-SD 3.62Å; E388-M392 HydrophobicContact CG-CG 4.5Å; E388-M392 HydrophobicContact CG-SD 4.48Å; E388-M392 WeakPolarHBondContact O-CG 3.35Å; E388-M392 PolarHBondContact O-N 3.39Å; H389-M392 PolarHBondContact O-N 3.01Å; M392-R395 PolarHBondContact O-N 3.42Å; M392-I396 WeakPolarHBondContact O-CB 3.09Å; M392-I396 WeakPolarHBondContact O-CD1 3.34Å; M392-I396 VanDerWaalsContact O-CG1 3.27Å; M392-I396 WeakPolarHBondContact O-CG1 3.4Å; M392-I396 PolarHBondContact O-N 3.49Å; M392-Y430 HydrophobicContact CE-CE1 4.45Å; M392-V431 HydrophobicContact CG-CG1 4.2Å; M392-V431 HydrophobicContact CG-CG2 3.81Å; M392-C435 WeakPolarHBondContact CE-SG 3.34Å
393	M	98.8	Very high	97.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.8	-52.7	173.2	-66.8	-178.7	-175.1	0	0	111.1	P350 I353 W365 F381 H389 L390 R395 I396 L397 Y462	P350-M393 HydrophobicContact CB-CE 4.37Å; P350-M393 HydrophobicContact CB-SD 3.9Å; I353-M393 HydrophobicContact CD1-CE 3.51Å; W365-M393 HydrophobicContact CH2-CE 4.28Å; W365-M393 HydrophobicContact CH2-CG 4.37Å; W365-M393 HydrophobicContact CH2-SD 3.98Å; W365-M393 HydrophobicContact CZ2-CE 3.52Å; W365-M393 HydrophobicContact CZ2-CG 4.11Å; W365-M393 HydrophobicContact CZ2-SD 3.8Å; F381-M393 HydrophobicContact CD1-CG 4.36Å; F381-M393 HydrophobicContact CE1-CB 4.36Å; F381-M393 HydrophobicContact CE1-CG 3.76Å; F381-M393 HydrophobicContact CZ-CG 3.85Å; H389-M393 WeakPolarHBondContact NE2-CE 3.35Å; H389-M393 WeakPolarHBondContact O-CG 3.33Å; H389-M393 PolarHBondContact O-N 3.17Å; L390-M393 HydrophobicContact CD2-SD 4.22Å; L390-M393 PolarHBondContact O-N 2.89Å; M393-R395 PolarHBondContact O-N 3.47Å; M393-R395 VanDerWaalsContact O-N 3.13Å; M393-I396 PolarHBondContact O-N 3.5Å; M393-I396 VanDerWaalsContact O-N 3.1Å; M393-L397 PolarHBondContact O-N 3.24Å; M393-Y462 HydrophobicContact CB-CE1 3.97Å; M393-Y462 WeakPolarHBondContact CB-OH 3.49Å; M393-Y462 PolarHBondContact O-OH 3.22Å; M393-Y462 HydrophobicContact SD-CE1 4.2Å
394	E	98.5	Very high	97.8	Very high	54 Å²	54	42 Å²	42	25%	0.252	22%	0.216	S	C	.	.	H	α-helix	trans	-59.6	-30.5	-179	-75.2	-155.6	138.8	0	0	113.3	L390 G398 I400 L419 Y462	L390-E394 PolarHBondContact O-N 3.15Å; E394-G398 WeakPolarHBondContact CA-O 3.4Å; E394-G398 CarbonylContact O-C 3.49Å; E394-G398 VanDerWaalsContact O-CA 3.29Å; E394-G398 WeakPolarHBondContact O-CA 3.44Å; E394-G398 PolarHBondContact O-N 3.24Å; E394-I400 HydrophobicContact CG-CB 4.48Å; E394-I400 HydrophobicContact CG-CD1 3.69Å; E394-I400 HydrophobicContact CG-CG1 3.68Å; E394-I400 PolarHBondContact OE1-N 2.93Å; E394-L419 WeakPolarHBondContact OE2-CB 3.23Å; E394-Y462 WeakPolarHBondContact CA-OH 3.49Å; E394-Y462 PolarHBondContact N-OH 3.07Å
395	R	98.1	Very high	98.1	Very high	90 Å²	90	36 Å²	36	34%	0.34	19%	0.189	S	C	.	.	H	α-helix	trans	-82.6	-25.1	179.1	-174.4	162.8	179.5	85	0.4	114.5	A391 M392 M393 V431 R432 C435	A391-R395 WeakPolarHBondContact O-CB 3.28Å; A391-R395 PolarHBondContact O-N 2.97Å; A391-R395 VanDerWaalsContact O-N 3.15Å; M392-R395 PolarHBondContact O-N 3.42Å; M393-R395 PolarHBondContact O-N 3.47Å; M393-R395 VanDerWaalsContact O-N 3.13Å; R395-V431 HydrophobicContact CB-CG1 4.39Å; R395-V431 WeakPolarHBondContact CD-O 3.27Å; R395-V431 PolarHBondContact NE-O 2.94Å; R395-R432 PolarHBondContact NE-O 3.46Å; R395-R432 PolarHBondContact NH2-O 3.16Å; R395-C435 HydrophobicContact CB-CB 4.31Å; R395-C435 HydrophobicContact CG-CB 4Å; R395-C435 PolarHBondContact NE-O 3.15Å
396	I	98.7	Very high	98.1	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-93.3	-43.1	-178.5	-69.5	167	0	0	0	111	L380 F381 M392 M393 C435 P437 L438	L380-I396 HydrophobicContact CD1-CD1 3.98Å; L380-I396 HydrophobicContact CD1-CG2 4.1Å; L380-I396 HydrophobicContact CG-CD1 4.39Å; F381-I396 HydrophobicContact CD1-CD1 4.02Å; F381-I396 HydrophobicContact CE1-CD1 3.7Å; M392-I396 WeakPolarHBondContact O-CB 3.09Å; M392-I396 WeakPolarHBondContact O-CD1 3.34Å; M392-I396 VanDerWaalsContact O-CG1 3.27Å; M392-I396 WeakPolarHBondContact O-CG1 3.4Å; M392-I396 PolarHBondContact O-N 3.49Å; M393-I396 PolarHBondContact O-N 3.5Å; M393-I396 VanDerWaalsContact O-N 3.1Å; I396-C435 HydrophobicContact CD1-CB 4.08Å; I396-C435 HydrophobicContact CG1-CB 3.96Å; I396-P437 WeakPolarHBondContact O-CA 3.48Å; I396-L438 HydrophobicContact CG2-CB 3.94Å; I396-L438 HydrophobicContact CG2-CD1 4.09Å; I396-L438 HydrophobicContact CG2-CG 4.5Å; I396-L438 PolarHBondContact O-N 3.01Å
397	L	98.6	Very high	98.1	Very high	45 Å²	45	47.6 Å²	47.6	24%	0.236	23%	0.23	C	C	.	.	H	α-helix	trans	-110.2	-10.8	-169.2	-56.8	171.4	0	0	0	113.7	W365 F381 M393 L438 L460 Y462	W365-L397 HydrophobicContact CH2-CD1 3.43Å; W365-L397 VanDerWaalsContact CH2-CD1 3.43Å; W365-L397 HydrophobicContact CZ2-CD1 4.13Å; W365-L397 HydrophobicContact CZ3-CD1 4.15Å; F381-L397 HydrophobicContact CZ-CD1 4.24Å; M393-L397 PolarHBondContact O-N 3.24Å; L397-L438 HydrophobicContact CD2-CD2 3.87Å; L397-L460 HydrophobicContact CD1-CB 4.07Å; L397-L460 HydrophobicContact CD2-CB 3.91Å; L397-L460 HydrophobicContact CD2-CD1 4.1Å; L397-Y462 HydrophobicContact CB-CE2 3.9Å
398	G	98.1	Very high	98.1	Very high	26 Å²	26	44.6 Å²	44.6	27%	0.268	22%	0.219	S	C	.	.			trans	90.6	179.1	-170.6	0	0	0	0	0	112.9	E394 Y462	E394-G398 WeakPolarHBondContact CA-O 3.4Å; E394-G398 CarbonylContact O-C 3.49Å; E394-G398 VanDerWaalsContact O-CA 3.29Å; E394-G398 WeakPolarHBondContact O-CA 3.44Å; E394-G398 PolarHBondContact O-N 3.24Å; G398-Y462 VanDerWaalsContact O-CE2 3.22Å; G398-Y462 WeakPolarHBondContact O-CE2 3.46Å; G398-Y462 PolarHBondContact O-OH 3.48Å
399	P	97.9	Very high	97.9	Very high	108 Å²	108	53.5 Å²	53.5	70%	0.701	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-66.5	144	-164.3	27.3	-36	0	0	0	113.9
400	I	98.4	Very high	97.7	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-64.9	131.2	178.7	-66.6	154.6	0	0	0	109.6	L354 L390 E394 S402 M404 I405 F414 Y462	L354-I400 HydrophobicContact CD1-CG2 4.35Å; L390-I400 HydrophobicContact CB-CD1 4.03Å; L390-I400 HydrophobicContact CD2-CD1 3.85Å; L390-I400 HydrophobicContact CG-CD1 4.43Å; E394-I400 HydrophobicContact CG-CB 4.48Å; E394-I400 HydrophobicContact CG-CD1 3.69Å; E394-I400 HydrophobicContact CG-CG1 3.68Å; E394-I400 PolarHBondContact OE1-N 2.93Å; I400-S402 PolarHBondContact O-N 2.71Å; I400-M404 HydrophobicContact CG2-CB 4.36Å; I400-I405 HydrophobicContact CB-CD1 4.18Å; I400-I405 HydrophobicContact CB-CG1 4.3Å; I400-I405 HydrophobicContact CG2-CD1 4.21Å; I400-I405 HydrophobicContact CG2-CG1 3.78Å; I400-I405 WeakPolarHBondContact O-CD1 3.32Å; I400-F414 HydrophobicContact CD1-CE1 4.23Å; I400-F414 HydrophobicContact CD1-CZ 4.4Å; I400-Y462 HydrophobicContact CB-CE1 4.48Å; I400-Y462 HydrophobicContact CG1-CD1 4.27Å; I400-Y462 HydrophobicContact CG1-CE1 3.61Å
401	P	98.3	Very high	97.6	Very high	30 Å²	30	59.9 Å²	59.9	20%	0.195	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-55.1	124.9	-179.4	-29.5	35.8	0	0	0	113	R403 M404 I405 Y462 E463	P401-R403 PolarHBondContact O-N 3.18Å; P401-M404 HydrophobicContact CB-CG 4.43Å; P401-M404 HydrophobicContact CB-SD 4.34Å; P401-M404 HydrophobicContact CG-SD 4.2Å; P401-M404 WeakPolarHBondContact O-CB 3.46Å; P401-M404 PolarHBondContact O-N 3.02Å; P401-I405 PolarHBondContact O-N 3.47Å; P401-Y462 VanDerWaalsContact CD-CB 3.46Å; P401-Y462 HydrophobicContact CG-CD2 4.33Å; P401-Y462 HydrophobicContact CG-CG 4.23Å; P401-E463 HydrophobicContact CB-CG 4Å; P401-E463 HydrophobicContact CG-CG 3.79Å
402	S	97.3	Very high	97.5	Very high	72 Å²	72	66.8 Å²	66.8	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-64.8	-6.6	-176.7	-39.1	0	0	0	0	114	I400 R406	I400-S402 PolarHBondContact O-N 2.71Å; S402-R406 WeakPolarHBondContact O-CB 3.42Å; S402-R406 WeakPolarHBondContact O-CG 3.39Å; S402-R406 PolarHBondContact O-N 3.45Å; S402-R406 PolarHBondContact O-NE 2.92Å
403	R	96.7	Very high	97.4	Very high	115 Å²	115	67.6 Å²	67.6	43%	0.434	31%	0.312	S	S	.	.	H	α-helix	trans	-74.2	-36.1	167.4	-165.9	-178.1	68.9	116	7.1	111.9	P401 K407 E463	P401-R403 PolarHBondContact O-N 3.18Å; R403-K407 WeakPolarHBondContact O-CG 3.44Å; R403-K407 PolarHBondContact O-N 2.87Å; R403-E463 IonicContact CZ-OE1 3.81Å; R403-E463 IonicContact NE-OE1 2.77Å; R403-E463 PolarHBondContact NE-OE1 2.93Å; R403-E463 IonicContact NH2-OE1 2.71Å; R403-E463 PolarHBondContact NH2-OE1 3.23Å
404	M	98.3	Very high	97.4	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-73.2	-46.4	174.6	-63.9	174.4	80.5	0	0	110.6	P350 E351 L354 L356 I400 P401 R406 K407 T408 Y462 E463	P350-M404 HydrophobicContact CB-CE 4.2Å; P350-M404 HydrophobicContact CG-CE 4.28Å; E351-M404 HydrophobicContact CB-CE 4.39Å; L354-M404 HydrophobicContact CD1-CB 4.3Å; L354-M404 HydrophobicContact CD1-CE 4.29Å; L356-M404 HydrophobicContact CD1-CB 3.77Å; L356-M404 HydrophobicContact CD1-CE 3.74Å; L356-M404 HydrophobicContact CD1-CG 3.93Å; I400-M404 HydrophobicContact CG2-CB 4.36Å; P401-M404 HydrophobicContact CB-CG 4.43Å; P401-M404 HydrophobicContact CB-SD 4.34Å; P401-M404 HydrophobicContact CG-SD 4.2Å; P401-M404 WeakPolarHBondContact O-CB 3.46Å; P401-M404 PolarHBondContact O-N 3.02Å; M404-R406 VanDerWaalsContact C-N 3.25Å; M404-R406 PolarHBondContact O-N 3.27Å; M404-K407 PolarHBondContact O-N 2.93Å; M404-T408 PolarHBondContact O-N 3.35Å; M404-Y462 VanDerWaalsContact CE-O 3.22Å; M404-Y462 WeakPolarHBondContact CE-O 3.27Å; M404-E463 HydrophobicContact SD-CG 4.05Å
405	I	98.1	Very high	97.3	Very high	6 Å²	6	72.7 Å²	72.7	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-57	-37	177.2	-55.9	-180	0	0	0	111.9	I400 P401 T408 Q411 F414 G417	I400-I405 HydrophobicContact CB-CD1 4.18Å; I400-I405 HydrophobicContact CB-CG1 4.3Å; I400-I405 HydrophobicContact CG2-CD1 4.21Å; I400-I405 HydrophobicContact CG2-CG1 3.78Å; I400-I405 WeakPolarHBondContact O-CD1 3.32Å; P401-I405 PolarHBondContact O-N 3.47Å; I405-T408 WeakPolarHBondContact O-CG2 3.33Å; I405-Q411 PolarHBondContact O-NE2 3.34Å; I405-F414 HydrophobicContact CB-CD1 4.46Å; I405-F414 HydrophobicContact CB-CE1 4.48Å; I405-F414 HydrophobicContact CD1-CD1 3.97Å; I405-F414 HydrophobicContact CD1-CE1 3.82Å; I405-F414 HydrophobicContact CG1-CD1 4.07Å; I405-F414 HydrophobicContact CG1-CE1 3.72Å; I405-F414 HydrophobicContact CG1-CZ 4.14Å; I405-F414 HydrophobicContact CG2-CB 4.04Å; I405-F414 HydrophobicContact CG2-CD1 3.65Å; I405-F414 HydrophobicContact CG2-CD2 4.13Å; I405-F414 HydrophobicContact CG2-CE1 4.13Å; I405-F414 HydrophobicContact CG2-CG 3.66Å; I405-G417 WeakPolarHBondContact CD1-O 3.44Å
406	R	96.9	Very high	97.1	Very high	195 Å²	195	78.5 Å²	78.5	74%	0.736	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.8	176.8	-75.4	-179.8	-67.7	167.7	-0.5	114.9	S402 M404	S402-R406 WeakPolarHBondContact O-CB 3.42Å; S402-R406 WeakPolarHBondContact O-CG 3.39Å; S402-R406 PolarHBondContact O-N 3.45Å; S402-R406 PolarHBondContact O-NE 2.92Å; M404-R406 VanDerWaalsContact C-N 3.25Å; M404-R406 PolarHBondContact O-N 3.27Å
407	K	97.1	Very high	96.7	Very high	140 Å²	140	80.3 Å²	80.3	61%	0.609	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-24.1	-178.7	-78.7	-173.1	169.4	-162.4	0	114	L356 R403 M404	L356-K407 HydrophobicContact CD2-CB 3.55Å; R403-K407 WeakPolarHBondContact O-CG 3.44Å; R403-K407 PolarHBondContact O-N 2.87Å; M404-K407 PolarHBondContact O-N 2.93Å
408	T	97	Very high	96.6	Very high	5 Å²	5	87.4 Å²	87.4	3%	0.031	40%	0.396	C	S	.	.			trans	-66.6	143.2	-174.6	-179.4	0	0	0	0	112.7	L354 M404 I405 K410 Q411 F414	L354-T408 HydrophobicContact CD2-CG2 4.3Å; L354-T408 VanDerWaalsContact O-CB 3.3Å; L354-T408 WeakPolarHBondContact O-CB 3.4Å; L354-T408 PolarHBondContact O-OG1 3.32Å; M404-T408 PolarHBondContact O-N 3.35Å; I405-T408 WeakPolarHBondContact O-CG2 3.33Å; T408-K410 WeakPolarHBondContact OG1-CB 3.26Å; T408-K410 PolarHBondContact OG1-N 3.25Å; T408-Q411 PolarHBondContact O-NE2 2.8Å; T408-F414 HydrophobicContact CG2-CD2 4.26Å; T408-F414 HydrophobicContact CG2-CE2 3.96Å
409	R	94.6	Very high	96.5	Very high	215 Å²	215	87.1 Å²	87.1	81%	0.811	39%	0.388	S	S	*	.	S	Bend	trans	-72.4	-19.7	166.3	-65.1	-179.5	178	-177.9	-0.4	112	Q411	R409-Q411 PolarHBondContact O-N 2.98Å
410	K	95.6	Very high	96.5	Very high	41 Å²	41	85.4 Å²	85.4	18%	0.178	37%	0.373	C	S	.	.			trans	-80.3	42.8	179.8	-55.1	-54.6	-159.9	-149	0	113.5	E355 T408 K412 Y413	E355-K410 VanDerWaalsContact OE1-CE 3.27Å; E355-K410 WeakPolarHBondContact OE1-CE 3.46Å; E355-K410 IonicContact OE1-NZ 3.42Å; E355-K410 PolarHBondContact OE1-NZ 3.4Å; E355-K410 WeakPolarHBondContact OE2-CE 3.31Å; E355-K410 IonicContact OE2-NZ 2.71Å; E355-K410 PolarHBondContact OE2-NZ 2.79Å; T408-K410 WeakPolarHBondContact OG1-CB 3.26Å; T408-K410 PolarHBondContact OG1-N 3.25Å; K410-K412 PolarHBondContact O-N 2.9Å; K410-Y413 HydrophobicContact CB-CD2 3.52Å; K410-Y413 HydrophobicContact CB-CE2 3.62Å; K410-Y413 HydrophobicContact CB-CG 4.38Å; K410-Y413 HydrophobicContact CD-CE2 4.27Å; K410-Y413 HydrophobicContact CG-CD2 4.22Å; K410-Y413 HydrophobicContact CG-CE2 3.81Å; K410-Y413 PolarHBondContact O-N 3.25Å
411	Q	95.4	Very high	96.4	Very high	92 Å²	92	88.2 Å²	88.2	43%	0.43	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-54.6	-25.3	176.7	-65.7	-59.7	-43.5	0	0	112.8	I405 T408 R409 Y413 F414	I405-Q411 PolarHBondContact O-NE2 3.34Å; T408-Q411 PolarHBondContact O-NE2 2.8Å; R409-Q411 PolarHBondContact O-N 2.98Å; Q411-Y413 PolarHBondContact O-N 3.12Å; Q411-F414 PolarHBondContact O-N 3.41Å
412	K	96.9	Very high	96.2	Very high	151 Å²	151	90.7 Å²	90.7	66%	0.657	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-60.2	-5.1	172.2	75.1	170.2	-173.9	174.8	0	115.9	R387 K410	R387-K412 PolarHBondContact NH2-O 3.46Å; K410-K412 PolarHBondContact O-N 2.9Å
413	Y	97.2	Very high	96	Very high	21 Å²	21	91.7 Å²	91.7	8%	0.082	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-98.2	-4.7	172.4	-58.6	-34.4	0	0	0	113.3	N386 R387 L390 K410 Q411 L419 D420	N386-Y413 HydrophobicContact CB-CE1 4.49Å; N386-Y413 HydrophobicContact CB-CE2 4Å; N386-Y413 VanDerWaalsContact CB-OH 3.3Å; N386-Y413 WeakPolarHBondContact CB-OH 3.46Å; N386-Y413 PolarHBondContact ND2-OH 3.02Å; N386-Y413 VanDerWaalsContact ND2-OH 3.09Å; R387-Y413 HydrophobicContact CB-CD1 4.06Å; R387-Y413 HydrophobicContact CB-CE1 4.34Å; R387-Y413 HydrophobicContact CG-CD1 4.36Å; L390-Y413 HydrophobicContact CD1-CD2 3.82Å; L390-Y413 HydrophobicContact CD1-CG 4.39Å; K410-Y413 HydrophobicContact CB-CD2 3.52Å; K410-Y413 HydrophobicContact CB-CE2 3.62Å; K410-Y413 HydrophobicContact CB-CG 4.38Å; K410-Y413 HydrophobicContact CD-CE2 4.27Å; K410-Y413 HydrophobicContact CG-CD2 4.22Å; K410-Y413 HydrophobicContact CG-CE2 3.81Å; K410-Y413 PolarHBondContact O-N 3.25Å; Q411-Y413 PolarHBondContact O-N 3.12Å; Y413-L419 WeakPolarHBondContact O-CD1 3.42Å; Y413-D420 WeakPolarHBondContact O-CB 3.44Å; Y413-D420 PolarHBondContact O-N 2.81Å
414	F	97.7	Very high	95.8	Very high	20 Å²	20	91.7 Å²	91.7	9%	0.088	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.9	-170	-58.8	-84.7	0	0	0	112.9	L354 L390 I400 I405 T408 Q411 R418 L419	L354-F414 HydrophobicContact CD2-CE2 3.7Å; L354-F414 HydrophobicContact CD2-CZ 3.79Å; L390-F414 HydrophobicContact CD1-CZ 4.24Å; I400-F414 HydrophobicContact CD1-CE1 4.23Å; I400-F414 HydrophobicContact CD1-CZ 4.4Å; I405-F414 HydrophobicContact CB-CD1 4.46Å; I405-F414 HydrophobicContact CB-CE1 4.48Å; I405-F414 HydrophobicContact CD1-CD1 3.97Å; I405-F414 HydrophobicContact CD1-CE1 3.82Å; I405-F414 HydrophobicContact CG1-CD1 4.07Å; I405-F414 HydrophobicContact CG1-CE1 3.72Å; I405-F414 HydrophobicContact CG1-CZ 4.14Å; I405-F414 HydrophobicContact CG2-CB 4.04Å; I405-F414 HydrophobicContact CG2-CD1 3.65Å; I405-F414 HydrophobicContact CG2-CD2 4.13Å; I405-F414 HydrophobicContact CG2-CE1 4.13Å; I405-F414 HydrophobicContact CG2-CG 3.66Å; T408-F414 HydrophobicContact CG2-CD2 4.26Å; T408-F414 HydrophobicContact CG2-CE2 3.96Å; Q411-F414 PolarHBondContact O-N 3.41Å; F414-R418 CarbonylContact C-O 3.44Å; F414-R418 WeakPolarHBondContact CA-O 3.14Å; F414-R418 WeakPolarHBondContact CB-O 3.36Å; F414-L419 HydrophobicContact CD1-CB 4.48Å; F414-L419 HydrophobicContact CD1-CD1 4.19Å; F414-L419 HydrophobicContact CE1-CB 4.45Å; F414-L419 HydrophobicContact CE1-CD1 3.75Å; F414-L419 HydrophobicContact CZ-CD1 4.13Å
415	Y	96	Very high	95.7	Very high	141 Å²	141	94.1 Å²	94.1	55%	0.553	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	128	171.5	-175.3	-114.3	0	0	0	110	G417 R418	Y415-G417 PolarHBondContact O-N 2.79Å; Y415-G417 VanDerWaalsContact O-N 3.09Å; Y415-R418 PolarHBondContact N-O 3.14Å; Y415-R418 PolarHBondContact O-N 2.97Å
416	R	93.5	Very high	95.6	Very high	212 Å²	212	98.3 Å²	98.3	80%	0.8	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	34.9	-177.8	-57.9	-177.6	-174.8	-157.8	1.5	114.3
417	G	91.9	Very high	95.4	Very high	42 Å²	42	90.3 Å²	90.3	43%	0.433	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	13.6	178.5	0	0	0	0	0	115.7	I405 Y415	I405-G417 WeakPolarHBondContact CD1-O 3.44Å; Y415-G417 PolarHBondContact O-N 2.79Å; Y415-G417 VanDerWaalsContact O-N 3.09Å
418	R	95.1	Very high	95.4	Very high	195 Å²	195	83.7 Å²	83.7	74%	0.736	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	160.8	170.6	-60.5	-174.6	-179.9	-151	-2.1	110	F414 Y415 D420	F414-R418 CarbonylContact C-O 3.44Å; F414-R418 WeakPolarHBondContact CA-O 3.14Å; F414-R418 WeakPolarHBondContact CB-O 3.36Å; Y415-R418 PolarHBondContact N-O 3.14Å; Y415-R418 PolarHBondContact O-N 2.97Å; R418-D420 PolarHBondContact O-N 3.47Å
419	L	97.1	Very high	95.3	Very high	20 Å²	20	89.2 Å²	89.2	11%	0.105	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	134.3	175.1	-165.3	73.5	0	0	0	110.6	L390 A391 E394 Y413 F414 W421	L390-L419 HydrophobicContact CB-CD1 3.75Å; L390-L419 HydrophobicContact CB-CD2 4.09Å; L390-L419 HydrophobicContact CD1-CD1 4.08Å; A391-L419 HydrophobicContact CB-CD2 3.66Å; E394-L419 WeakPolarHBondContact OE2-CB 3.23Å; Y413-L419 WeakPolarHBondContact O-CD1 3.42Å; F414-L419 HydrophobicContact CD1-CB 4.48Å; F414-L419 HydrophobicContact CD1-CD1 4.19Å; F414-L419 HydrophobicContact CE1-CB 4.45Å; F414-L419 HydrophobicContact CE1-CD1 3.75Å; F414-L419 HydrophobicContact CZ-CD1 4.13Å; L419-W421 VanDerWaalsContact C-N 3.33Å; L419-W421 HydrophobicContact CD2-CB 4.07Å; L419-W421 HydrophobicContact CG-CB 4.26Å; L419-W421 PolarHBondContact O-N 2.97Å; L419-W421 VanDerWaalsContact O-N 3.07Å
420	D	96.8	Very high	95.4	Very high	71 Å²	71	83 Å²	83	38%	0.38	39%	0.39	S	S	.	.			trans	-81.6	76.6	178	-178.9	41.3	0	0	0	109.5	R387 Y413 R418	R387-D420 WeakPolarHBondContact CD-O 3.28Å; R387-D420 VanDerWaalsContact CZ-O 3.3Å; R387-D420 IonicContact CZ-OD2 2.71Å; R387-D420 VanDerWaalsContact NH1-CG 3.33Å; R387-D420 PolarHBondContact NH1-O 3.5Å; R387-D420 IonicContact NH1-OD2 3.93Å; R387-D420 PolarHBondContact NH1-OD2 3.26Å; R387-D420 IonicContact NH2-OD2 3.43Å; R387-D420 PolarHBondContact NH2-OD2 3.13Å; Y413-D420 WeakPolarHBondContact O-CB 3.44Å; Y413-D420 PolarHBondContact O-N 2.81Å; R418-D420 PolarHBondContact O-N 3.47Å
421	W	96.6	Very high	95.4	Very high	63 Å²	63	81.3 Å²	81.3	24%	0.239	38%	0.383	C	S	.	.			trans	-128.8	119	-171.3	-172.1	-110.1	0	0	0	112.5	R387 E388 A391 L419 A427 V431	R387-W421 HydrophobicContact CG-CE3 3.96Å; R387-W421 HydrophobicContact CG-CZ3 4.26Å; E388-W421 HydrophobicContact CB-CH2 3.63Å; E388-W421 HydrophobicContact CB-CZ3 4.08Å; E388-W421 HydrophobicContact CG-CH2 3.78Å; E388-W421 HydrophobicContact CG-CZ2 4.26Å; A391-W421 HydrophobicContact CB-CD2 3.58Å; A391-W421 HydrophobicContact CB-CE3 4.14Å; A391-W421 HydrophobicContact CB-CG 3.8Å; A391-W421 HydrophobicContact CB-CZ2 4.01Å; L419-W421 VanDerWaalsContact C-N 3.33Å; L419-W421 HydrophobicContact CD2-CB 4.07Å; L419-W421 HydrophobicContact CG-CB 4.26Å; L419-W421 PolarHBondContact O-N 2.97Å; L419-W421 VanDerWaalsContact O-N 3.07Å; W421-A427 HydrophobicContact CH2-CB 3.66Å; W421-A427 HydrophobicContact CZ2-CB 3.98Å; W421-V431 HydrophobicContact CZ2-CB 4.39Å; W421-V431 HydrophobicContact CZ2-CG2 3.81Å
422	D	94.6	Very high	95.4	Very high	82 Å²	82	80.9 Å²	80.9	44%	0.439	38%	0.378	S	S	.	.			trans	-91.2	104.1	173.5	175.7	29.5	0	0	0	111.5	N424 T425	D422-N424 PolarHBondContact O-N 2.85Å; D422-N424 VanDerWaalsContact O-N 3.08Å; D422-N424 VanDerWaalsContact OD1-CB 3.3Å; D422-N424 WeakPolarHBondContact OD1-CB 3.38Å; D422-N424 PolarHBondContact OD1-N 3.03Å; D422-N424 PolarHBondContact OD1-ND2 3.47Å; D422-T425 HydrophobicContact CB-CG2 3.95Å; D422-T425 PolarHBondContact O-N 3.05Å; D422-T425 PolarHBondContact O-OG1 3.19Å; D422-T425 WeakPolarHBondContact OD2-CG2 3.12Å
423	E	92.4	Very high	95.3	Very high	93 Å²	93	78.7 Å²	78.7	44%	0.435	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-14.1	173	-89.3	-151.2	-125.7	0	0	115.1	G428 R432	E423-G428 CarbonylContact O-C 3.41Å; E423-R432 PolarHBondContact O-NH1 3.38Å; E423-R432 PolarHBondContact O-NH2 2.91Å; E423-R432 WeakPolarHBondContact OE2-CD 3.47Å; E423-R432 IonicContact OE2-CZ 3.27Å; E423-R432 IonicContact OE2-NE 3.45Å; E423-R432 IonicContact OE2-NH1 3.03Å; E423-R432 PolarHBondContact OE2-NH1 2.85Å
424	N	94.1	Very high	95.1	Very high	116 Å²	116	79.2 Å²	79.2	62%	0.62	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-19.6	179.6	-57.4	-77.8	0	0	0	113.3	D422 R429	D422-N424 PolarHBondContact O-N 2.85Å; D422-N424 VanDerWaalsContact O-N 3.08Å; D422-N424 VanDerWaalsContact OD1-CB 3.3Å; D422-N424 WeakPolarHBondContact OD1-CB 3.38Å; D422-N424 PolarHBondContact OD1-N 3.03Å; D422-N424 PolarHBondContact OD1-ND2 3.47Å; N424-R429 PolarHBondContact O-NH1 3.04Å
425	T	95.6	Very high	95.1	Very high	56 Å²	56	78.4 Å²	78.4	34%	0.344	37%	0.371	S	S	.	.	S	Bend	trans	-61	165.6	175.3	62.1	0	0	0	0	112.8	D422 A427 G428 R429	D422-T425 HydrophobicContact CB-CG2 3.95Å; D422-T425 PolarHBondContact O-N 3.05Å; D422-T425 PolarHBondContact O-OG1 3.19Å; D422-T425 WeakPolarHBondContact OD2-CG2 3.12Å; T425-A427 VanDerWaalsContact C-N 3.32Å; T425-A427 PolarHBondContact O-N 3.35Å; T425-G428 PolarHBondContact O-N 3.17Å; T425-G428 PolarHBondContact OG1-N 3.31Å; T425-R429 WeakPolarHBondContact O-CG 3.41Å; T425-R429 PolarHBondContact O-N 2.79Å
426	S	94.5	Very high	95.1	Very high	93 Å²	93	73.9 Å²	73.9	65%	0.65	35%	0.354	S	S	*	.	H	α-helix	trans	-56.9	-44.3	172.5	41.8	0	0	0	0	112.5	R429 Y430	S426-R429 PolarHBondContact O-N 2.98Å; S426-Y430 PolarHBondContact O-N 3.33Å
427	A	94.1	Very high	95.4	Very high	28 Å²	28	67 Å²	67	23%	0.231	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-44.6	174.8	0	0	0	0	0	111.8	E388 W421 T425 R429 Y430 V431	E388-A427 WeakPolarHBondContact OE1-CB 3.28Å; W421-A427 HydrophobicContact CH2-CB 3.66Å; W421-A427 HydrophobicContact CZ2-CB 3.98Å; T425-A427 VanDerWaalsContact C-N 3.32Å; T425-A427 PolarHBondContact O-N 3.35Å; A427-R429 VanDerWaalsContact C-N 3.3Å; A427-R429 PolarHBondContact O-N 3.36Å; A427-Y430 WeakPolarHBondContact O-CB 3.35Å; A427-Y430 PolarHBondContact O-N 3.28Å; A427-V431 WeakPolarHBondContact O-CG2 3.46Å; A427-V431 PolarHBondContact O-N 2.77Å
428	G	95.9	Very high	95.7	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-56.9	-40.4	174.2	0	0	0	0	0	113.3	E423 T425 R432	E423-G428 CarbonylContact O-C 3.41Å; T425-G428 PolarHBondContact O-N 3.17Å; T425-G428 PolarHBondContact OG1-N 3.31Å; G428-R432 WeakPolarHBondContact O-CB 3.44Å; G428-R432 PolarHBondContact O-N 3.15Å
429	R	96.1	Very high	95.8	Very high	120 Å²	120	60.2 Å²	60.2	45%	0.453	30%	0.298	S	S	.	.	H	α-helix	trans	-66.7	-44.5	171.4	-66.9	-164.2	-60.2	-91.8	10.2	112.4	N424 T425 S426 A427 R432 E433	N424-R429 PolarHBondContact O-NH1 3.04Å; T425-R429 WeakPolarHBondContact O-CG 3.41Å; T425-R429 PolarHBondContact O-N 2.79Å; S426-R429 PolarHBondContact O-N 2.98Å; A427-R429 VanDerWaalsContact C-N 3.3Å; A427-R429 PolarHBondContact O-N 3.36Å; R429-R432 PolarHBondContact O-N 3.3Å; R429-E433 WeakPolarHBondContact O-CB 3.29Å; R429-E433 WeakPolarHBondContact O-CG 3.37Å; R429-E433 PolarHBondContact O-N 2.83Å
430	Y	95.6	Very high	95.8	Very high	86 Å²	86	68.2 Å²	68.2	34%	0.337	33%	0.327	S	S	.	.	H	α-helix	trans	-57.6	-51.3	177.1	173.9	-103.4	0	0	0	111.8	M392 S426 A427 R432 E433 N434	M392-Y430 HydrophobicContact CE-CE1 4.45Å; S426-Y430 PolarHBondContact O-N 3.33Å; A427-Y430 WeakPolarHBondContact O-CB 3.35Å; A427-Y430 PolarHBondContact O-N 3.28Å; Y430-R432 PolarHBondContact O-N 3.12Å; Y430-E433 PolarHBondContact O-N 3.33Å; Y430-N434 WeakPolarHBondContact CD2-ND2 3.34Å; Y430-N434 HydrophobicContact CE2-CB 4.32Å; Y430-N434 WeakPolarHBondContact CE2-ND2 3.44Å; Y430-N434 PolarHBondContact O-N 2.94Å; Y430-N434 PolarHBondContact O-ND2 3.14Å
431	V	96.9	Very high	95.9	Very high	4 Å²	4	66 Å²	66	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-44.5	175.5	175.3	0	0	0	0	110.7	E388 A391 M392 R395 W421 A427 E433 C435	E388-V431 HydrophobicContact CG-CG2 3.75Å; A391-V431 HydrophobicContact CB-CG1 4.4Å; M392-V431 HydrophobicContact CG-CG1 4.2Å; M392-V431 HydrophobicContact CG-CG2 3.81Å; R395-V431 HydrophobicContact CB-CG1 4.39Å; R395-V431 WeakPolarHBondContact CD-O 3.27Å; R395-V431 PolarHBondContact NE-O 2.94Å; W421-V431 HydrophobicContact CZ2-CB 4.39Å; W421-V431 HydrophobicContact CZ2-CG2 3.81Å; A427-V431 WeakPolarHBondContact O-CG2 3.46Å; A427-V431 PolarHBondContact O-N 2.77Å; V431-E433 PolarHBondContact O-N 3.04Å; V431-C435 HydrophobicContact CG1-CB 4.41Å; V431-C435 VanDerWaalsContact O-CB 3.28Å; V431-C435 WeakPolarHBondContact O-CB 3.22Å; V431-C435 PolarHBondContact O-N 3.42Å; V431-C435 VanDerWaalsContact O-N 3.12Å
432	R	94.6	Very high	95.9	Very high	84 Å²	84	64.4 Å²	64.4	32%	0.317	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-41	178.8	-178.3	170.5	55.2	-99.5	-1	113.2	R395 E423 G428 R429 Y430	R395-R432 PolarHBondContact NE-O 3.46Å; R395-R432 PolarHBondContact NH2-O 3.16Å; E423-R432 PolarHBondContact O-NH1 3.38Å; E423-R432 PolarHBondContact O-NH2 2.91Å; E423-R432 WeakPolarHBondContact OE2-CD 3.47Å; E423-R432 IonicContact OE2-CZ 3.27Å; E423-R432 IonicContact OE2-NE 3.45Å; E423-R432 IonicContact OE2-NH1 3.03Å; E423-R432 PolarHBondContact OE2-NH1 2.85Å; G428-R432 WeakPolarHBondContact O-CB 3.44Å; G428-R432 PolarHBondContact O-N 3.15Å; R429-R432 PolarHBondContact O-N 3.3Å; Y430-R432 PolarHBondContact O-N 3.12Å
433	E	94.2	Very high	95.8	Very high	104 Å²	104	64.1 Å²	64.1	49%	0.486	31%	0.311	S	S	.	.	H	α-helix	trans	-77	-40.7	-176.2	-75.1	177	-145.4	0	0	113.3	R72 R429 Y430 V431	R72-E433 IonicContact NH1-OE2 3.94Å; R429-E433 WeakPolarHBondContact O-CB 3.29Å; R429-E433 WeakPolarHBondContact O-CG 3.37Å; R429-E433 PolarHBondContact O-N 2.83Å; Y430-E433 PolarHBondContact O-N 3.33Å; V431-E433 PolarHBondContact O-N 3.04Å
434	N	94.4	Very high	96	Very high	33 Å²	33	61.9 Å²	61.9	18%	0.176	31%	0.306	C	S	.	.	H	α-helix	trans	-97.7	-35.1	-167.5	-59.9	-85.6	0	0	0	112.9	Y69 Y430 Y441	Y69-N434 PolarHBondContact OH-O 3.31Å; Y69-N434 VanDerWaalsContact OH-O 3.14Å; Y430-N434 WeakPolarHBondContact CD2-ND2 3.34Å; Y430-N434 HydrophobicContact CE2-CB 4.32Å; Y430-N434 WeakPolarHBondContact CE2-ND2 3.44Å; Y430-N434 PolarHBondContact O-N 2.94Å; Y430-N434 PolarHBondContact O-ND2 3.14Å; N434-Y441 PolarHBondContact O-OH 3.34Å
435	C	97.3	Very high	96.1	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.02	31%	0.309	C	S	.	.			trans	-84.5	134.4	176.3	-58.6	0	0	0	0	111.4	M392 R395 I396 V431 Y441	M392-C435 WeakPolarHBondContact CE-SG 3.34Å; R395-C435 HydrophobicContact CB-CB 4.31Å; R395-C435 HydrophobicContact CG-CB 4Å; R395-C435 PolarHBondContact NE-O 3.15Å; I396-C435 HydrophobicContact CD1-CB 4.08Å; I396-C435 HydrophobicContact CG1-CB 3.96Å; V431-C435 HydrophobicContact CG1-CB 4.41Å; V431-C435 VanDerWaalsContact O-CB 3.28Å; V431-C435 WeakPolarHBondContact O-CB 3.22Å; V431-C435 PolarHBondContact O-N 3.42Å; V431-C435 VanDerWaalsContact O-N 3.12Å; C435-Y441 WeakPolarHBondContact CA-OH 3.38Å
436	K	96.8	Very high	96.2	Very high	46 Å²	46	62.9 Å²	62.9	20%	0.2	31%	0.31	C	S	.	.			trans	-134.3	152.6	179.6	-66.5	168.1	176.2	168	0	108.3	D65 Y69 L438 R440 Y441	D65-K436 IonicContact OD2-NZ 2.63Å; D65-K436 PolarHBondContact OD2-NZ 2.96Å; Y69-K436 VanDerWaalsContact OH-CE 3.25Å; Y69-K436 WeakPolarHBondContact OH-CE 3.16Å; Y69-K436 PolarHBondContact OH-NZ 2.99Å; Y69-K436 VanDerWaalsContact OH-NZ 3.09Å; K436-L438 PolarHBondContact O-N 3.46Å; K436-R440 HydrophobicContact CB-CB 4.12Å; K436-Y441 HydrophobicContact CB-CE2 4.22Å; K436-Y441 PolarHBondContact N-OH 2.84Å; K436-Y441 VanDerWaalsContact O-CE2 3.27Å; K436-Y441 WeakPolarHBondContact O-CE2 3.15Å
437	P	98.4	Very high	96.3	Very high	66 Å²	66	64.2 Å²	64.2	43%	0.429	31%	0.306	S	S	.	.			trans	-53.7	137.6	175.2	-28.7	35.7	0	0	0	112	I396 R439 R440	I396-P437 WeakPolarHBondContact O-CA 3.48Å; P437-R439 PolarHBondContact O-N 3.19Å; P437-R439 VanDerWaalsContact O-N 3.16Å; P437-R440 VanDerWaalsContact O-CB 3.27Å; P437-R440 WeakPolarHBondContact O-CB 3.44Å; P437-R440 PolarHBondContact O-N 3.05Å
438	L	98.1	Very high	96.4	Very high	5 Å²	5	64.3 Å²	64.3	3%	0.026	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-49.6	-50	-158.5	-174.8	55.7	0	0	0	114.7	F372 L380 I396 L397 K436 R440 Y441 F453 I456 E457 L460	F372-L438 HydrophobicContact CD2-CD1 3.78Å; F372-L438 HydrophobicContact CE2-CD1 3.77Å; L380-L438 HydrophobicContact CD1-CD1 4.2Å; I396-L438 HydrophobicContact CG2-CB 3.94Å; I396-L438 HydrophobicContact CG2-CD1 4.09Å; I396-L438 HydrophobicContact CG2-CG 4.5Å; I396-L438 PolarHBondContact O-N 3.01Å; L397-L438 HydrophobicContact CD2-CD2 3.87Å; K436-L438 PolarHBondContact O-N 3.46Å; L438-R440 PolarHBondContact O-N 3.49Å; L438-Y441 HydrophobicContact CD1-CD2 4.39Å; L438-Y441 WeakPolarHBondContact O-CD2 3.29Å; L438-Y441 PolarHBondContact O-N 3.19Å; L438-F453 HydrophobicContact CD1-CD1 4.46Å; L438-F453 HydrophobicContact CD1-CE1 4.04Å; L438-F453 HydrophobicContact CG-CD1 4.01Å; L438-F453 HydrophobicContact CG-CE1 4.07Å; L438-F453 VanDerWaalsContact O-CE1 3.3Å; L438-F453 WeakPolarHBondContact O-CE1 3.42Å; L438-I456 HydrophobicContact CD2-CG2 3.97Å; L438-E457 HydrophobicContact CD2-CG 3.67Å; L438-L460 HydrophobicContact CD2-CD1 4.21Å
439	R	97.6	Very high	96.5	Very high	91 Å²	91	65.3 Å²	65.3	34%	0.343	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-60.8	-11.7	179	-57	-158.5	174.1	-137.2	2	115.1	P437 Y441 L442 F453 D454 E457	P437-R439 PolarHBondContact O-N 3.19Å; P437-R439 VanDerWaalsContact O-N 3.16Å; R439-Y441 PolarHBondContact O-N 3.35Å; R439-L442 HydrophobicContact CB-CD1 4.14Å; R439-L442 WeakPolarHBondContact O-CB 3.36Å; R439-L442 WeakPolarHBondContact O-CD1 3.41Å; R439-L442 WeakPolarHBondContact O-CG 3.28Å; R439-L442 PolarHBondContact O-N 2.9Å; R439-F453 HydrophobicContact CG-CD1 4.48Å; R439-D454 IonicContact NH2-OD1 3.11Å; R439-D454 PolarHBondContact NH2-OD1 2.78Å; R439-E457 WeakPolarHBondContact CD-OE1 3.5Å; R439-E457 WeakPolarHBondContact CG-OE1 3.48Å; R439-E457 IonicContact CZ-OE1 2.81Å; R439-E457 IonicContact CZ-OE2 2.74Å; R439-E457 VanDerWaalsContact CZ-OE2 3.27Å; R439-E457 VanDerWaalsContact NE-CD 3.3Å; R439-E457 IonicContact NE-OE1 3.4Å; R439-E457 PolarHBondContact NE-OE1 2.83Å; R439-E457 IonicContact NE-OE2 3.4Å; R439-E457 PolarHBondContact NE-OE2 2.68Å; R439-E457 IonicContact NH2-OE1 2.61Å; R439-E457 IonicContact NH2-OE2 2.89Å; R439-E457 PolarHBondContact NH2-OE2 3.03Å
440	R	97.6	Very high	96.6	Very high	187 Å²	187	62 Å²	62	71%	0.706	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-73	-5.3	170.9	-64.8	-164.7	176.5	-172.4	-1.8	114.4	K436 P437 L438	K436-R440 HydrophobicContact CB-CB 4.12Å; P437-R440 VanDerWaalsContact O-CB 3.27Å; P437-R440 WeakPolarHBondContact O-CB 3.44Å; P437-R440 PolarHBondContact O-N 3.05Å; L438-R440 PolarHBondContact O-N 3.49Å
441	Y	97.6	Very high	96.8	Very high	26 Å²	26	59.9 Å²	59.9	10%	0.102	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-92.9	-0.7	171.7	-63.2	-74.6	0	0	0	113.5	F372 F378 N434 C435 K436 L438 R439 T443	F372-Y441 HydrophobicContact CE2-CD1 4.43Å; F372-Y441 AromaticContact CE2-CD2 3.66Å; F372-Y441 HydrophobicContact CE2-CD2 3.66Å; F372-Y441 HydrophobicContact CE2-CE2 4.43Å; F372-Y441 AromaticContact CE2-CG 3.67Å; F372-Y441 HydrophobicContact CE2-CG 3.67Å; F372-Y441 HydrophobicContact CZ-CD1 4.02Å; F372-Y441 AromaticContact CZ-CD2 3.79Å; F372-Y441 HydrophobicContact CZ-CD2 3.79Å; F372-Y441 HydrophobicContact CZ-CE1 4.41Å; F372-Y441 HydrophobicContact CZ-CE2 4.21Å; F372-Y441 AromaticContact CZ-CG 3.7Å; F372-Y441 HydrophobicContact CZ-CG 3.7Å; F378-Y441 HydrophobicContact CE2-CE1 4.16Å; F378-Y441 AromaticContact CZ-CD1 3.98Å; F378-Y441 HydrophobicContact CZ-CD1 3.98Å; F378-Y441 AromaticContact CZ-CE1 3.91Å; F378-Y441 HydrophobicContact CZ-CE1 3.91Å; N434-Y441 PolarHBondContact O-OH 3.34Å; C435-Y441 WeakPolarHBondContact CA-OH 3.38Å; K436-Y441 HydrophobicContact CB-CE2 4.22Å; K436-Y441 PolarHBondContact N-OH 2.84Å; K436-Y441 VanDerWaalsContact O-CE2 3.27Å; K436-Y441 WeakPolarHBondContact O-CE2 3.15Å; L438-Y441 HydrophobicContact CD1-CD2 4.39Å; L438-Y441 WeakPolarHBondContact O-CD2 3.29Å; L438-Y441 PolarHBondContact O-N 3.19Å; R439-Y441 PolarHBondContact O-N 3.35Å; Y441-T443 PolarHBondContact O-N 2.78Å
442	L	96.7	Very high	96.8	Very high	29 Å²	29	59.7 Å²	59.7	15%	0.152	29%	0.288	C	S	.	.			trans	-55.6	130.5	169.8	-77.7	166.5	0	0	0	110.9	R439 H449 H450 F453	R439-L442 HydrophobicContact CB-CD1 4.14Å; R439-L442 WeakPolarHBondContact O-CB 3.36Å; R439-L442 WeakPolarHBondContact O-CD1 3.41Å; R439-L442 WeakPolarHBondContact O-CG 3.28Å; R439-L442 PolarHBondContact O-N 2.9Å; L442-H449 HydrophobicContact CD2-CB 3.82Å; L442-H449 WeakPolarHBondContact CD2-O 3.27Å; L442-H450 VanDerWaalsContact CD1-CE1 3.45Å; L442-H450 WeakPolarHBondContact CD1-CE1 3.44Å; L442-F453 HydrophobicContact CD2-CB 4.34Å; L442-F453 HydrophobicContact CD2-CD1 4.47Å; L442-F453 HydrophobicContact CD2-CD2 3.36Å; L442-F453 HydrophobicContact CD2-CE2 3.76Å; L442-F453 HydrophobicContact CD2-CG 3.78Å; L442-F453 HydrophobicContact CD2-CZ 4.46Å; L442-F453 HydrophobicContact CG-CD1 4.3Å; L442-F453 HydrophobicContact CG-CD2 4.02Å; L442-F453 HydrophobicContact CG-CE1 4.49Å; L442-F453 HydrophobicContact CG-CE2 4.24Å; L442-F453 HydrophobicContact CG-CG 4.06Å; L442-F453 HydrophobicContact CG-CZ 4.47Å
443	T	94.1	Very high	97	Very high	75 Å²	75	55.7 Å²	55.7	46%	0.46	27%	0.273	S	S	.	.	S	Bend	trans	-98.3	-13.5	179.3	68.4	0	0	0	0	113.5	Y375 Y441	Y375-T443 HydrophobicContact CE1-CG2 4.04Å; Y375-T443 WeakPolarHBondContact OH-CB 3.32Å; Y375-T443 PolarHBondContact OH-N 2.85Å; Y375-T443 PolarHBondContact OH-OG1 3.03Å; Y441-T443 PolarHBondContact O-N 2.78Å
444	S	96.1	Very high	97.2	Very high	47 Å²	47	53.9 Å²	53.9	33%	0.329	27%	0.266	S	S	.	.			trans	-152.5	148.9	-177.3	178	0	0	0	0	109.9	A446	S444-A446 PolarHBondContact OG-N 2.9Å
445	E	95.9	Very high	97.5	Very high	149 Å²	149	52.3 Å²	52.3	70%	0.696	26%	0.258	S	S	*	.			trans	-90.5	3.9	176.1	-63.2	-62.4	163.3	0	0	113.2	H450	E445-H450 IonicContact OE2-CE1 2.8Å; E445-H450 PolarHBondContact OE2-CE1 3.07Å; E445-H450 IonicContact OE2-NE2 3.57Å; E445-H450 PolarHBondContact OE2-NE2 3.32Å
446	A	96.9	Very high	97.5	Very high	44 Å²	44	52.2 Å²	52.2	36%	0.364	26%	0.257	S	S	.	.	S	Bend	trans	-66.5	136.9	176.9	0	0	0	0	0	111	S444 E448 H449	S444-A446 PolarHBondContact OG-N 2.9Å; A446-E448 PolarHBondContact O-N 3.04Å; A446-H449 WeakPolarHBondContact O-CB 3.25Å; A446-H449 PolarHBondContact O-N 3.32Å
447	E	96.9	Very high	97.6	Very high	121 Å²	121	53.1 Å²	53.1	57%	0.565	26%	0.262	S	S	*	.	H	α-helix	trans	-41.3	-42.3	-174.3	174.1	58.7	-163.8	0	0	114.7	H449 H450 Q451	E447-H449 PolarHBondContact O-N 2.8Å; E447-H450 PolarHBondContact O-N 3.26Å; E447-H450 VanDerWaalsContact O-N 3.1Å; E447-Q451 HydrophobicContact CG-CG 4.41Å; E447-Q451 WeakPolarHBondContact O-CG 3.3Å; E447-Q451 PolarHBondContact O-N 2.71Å; E447-Q451 WeakPolarHBondContact OE1-CG 3.34Å; E447-Q451 PolarHBondContact OE1-NE2 3.09Å
448	E	96.7	Very high	97.6	Very high	30 Å²	30	51.9 Å²	51.9	14%	0.14	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-21.1	-179	63.2	-174.6	109.9	0	0	115.2	I264 R268 A446 L452 F478 R481	I264-E448 HydrophobicContact CD1-CG 4.22Å; R268-E448 IonicContact CZ-OE2 2.63Å; R268-E448 IonicContact NH1-OE2 3.74Å; R268-E448 PolarHBondContact NH1-OE2 3.46Å; R268-E448 VanDerWaalsContact NH1-OE2 3.11Å; R268-E448 VanDerWaalsContact NH2-CB 3.32Å; R268-E448 IonicContact NH2-OE2 2.77Å; R268-E448 PolarHBondContact NH2-OE2 2.84Å; A446-E448 PolarHBondContact O-N 3.04Å; E448-L452 WeakPolarHBondContact O-CB 3.41Å; E448-L452 PolarHBondContact O-N 2.6Å; E448-L452 VanDerWaalsContact O-N 3.15Å; E448-F478 WeakPolarHBondContact O-CD2 3.28Å; E448-F478 WeakPolarHBondContact O-CE2 3.32Å; E448-R481 IonicContact OE1-CZ 3.21Å; E448-R481 IonicContact OE1-NH1 2.7Å; E448-R481 PolarHBondContact OE1-NH1 2.77Å; E448-R481 IonicContact OE1-NH2 2.88Å; E448-R481 PolarHBondContact OE1-NH2 2.91Å; E448-R481 IonicContact OE2-CZ 3.78Å; E448-R481 IonicContact OE2-NH1 3.1Å; E448-R481 PolarHBondContact OE2-NH1 2.84Å; E448-R481 VanDerWaalsContact OE2-NH1 3.1Å
449	H	98.1	Very high	97.7	Very high	22 Å²	22	51.7 Å²	51.7	10%	0.102	25%	0.254	C	S	.	.	H	α-helix	trans	-79.2	-38.1	171.8	-65	-106	0	0	0	111.2	I264 Y375 L442 A446 E447 L452 F453	I264-H449 HydrophobicContact CD1-CB 4.27Å; Y375-H449 AromaticContact CE2-CE1 3.85Å; Y375-H449 AromaticContact CE2-ND1 3.4Å; Y375-H449 WeakPolarHBondContact CE2-ND1 3.17Å; Y375-H449 AromaticContact CZ-ND1 3.53Å; Y375-H449 PolarHBondContact OH-ND1 3.43Å; L442-H449 HydrophobicContact CD2-CB 3.82Å; L442-H449 WeakPolarHBondContact CD2-O 3.27Å; A446-H449 WeakPolarHBondContact O-CB 3.25Å; A446-H449 PolarHBondContact O-N 3.32Å; E447-H449 PolarHBondContact O-N 2.8Å; H449-L452 WeakPolarHBondContact O-CB 3.33Å; H449-L452 PolarHBondContact O-N 2.93Å; H449-F453 WeakPolarHBondContact O-CD2 3.39Å; H449-F453 PolarHBondContact O-N 2.94Å
450	H	98.3	Very high	97.7	Very high	50 Å²	50	47.5 Å²	47.5	23%	0.231	24%	0.238	C	C	.	.	H	α-helix	trans	-64.4	-41.7	172.7	-77.2	-71.7	0	0	0	111.2	L442 E445 E447 L452 F453 D454	L442-H450 VanDerWaalsContact CD1-CE1 3.45Å; L442-H450 WeakPolarHBondContact CD1-CE1 3.44Å; E445-H450 IonicContact OE2-CE1 2.8Å; E445-H450 PolarHBondContact OE2-CE1 3.07Å; E445-H450 IonicContact OE2-NE2 3.57Å; E445-H450 PolarHBondContact OE2-NE2 3.32Å; E447-H450 PolarHBondContact O-N 3.26Å; E447-H450 VanDerWaalsContact O-N 3.1Å; H450-L452 VanDerWaalsContact C-N 3.34Å; H450-L452 PolarHBondContact O-N 3.12Å; H450-F453 PolarHBondContact O-N 2.86Å; H450-D454 WeakPolarHBondContact O-CB 3.26Å; H450-D454 PolarHBondContact O-N 2.92Å
451	Q	98.4	Very high	97.8	Very high	42 Å²	42	41.3 Å²	41.3	20%	0.196	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-35.4	172.8	-67.4	176.9	-0.4	0	0	113.2	E447 L455 H476 P477 F478	E447-Q451 HydrophobicContact CG-CG 4.41Å; E447-Q451 WeakPolarHBondContact O-CG 3.3Å; E447-Q451 PolarHBondContact O-N 2.71Å; E447-Q451 WeakPolarHBondContact OE1-CG 3.34Å; E447-Q451 PolarHBondContact OE1-NE2 3.09Å; Q451-L455 PolarHBondContact O-N 3.42Å; Q451-L455 VanDerWaalsContact O-N 3.16Å; Q451-H476 VanDerWaalsContact CA-CE1 3.43Å; Q451-H476 WeakPolarHBondContact CA-CE1 3.32Å; Q451-H476 PolarHBondContact O-CE1 2.79Å; Q451-P477 HydrophobicContact CG-CB 4.5Å; Q451-F478 HydrophobicContact CB-CB 4.01Å; Q451-F478 HydrophobicContact CB-CD2 4.18Å
452	L	98.6	Very high	97.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-44.4	172.9	174.3	60.2	0	0	0	111.5	I264 V267 I371 Y375 E448 H449 H450 L455 I456 F478	I264-L452 HydrophobicContact CD1-CB 4.31Å; I264-L452 HydrophobicContact CD1-CD2 3.8Å; I264-L452 HydrophobicContact CG1-CD2 4.19Å; V267-L452 HydrophobicContact CG1-CD1 4.21Å; V267-L452 HydrophobicContact CG1-CD2 4.34Å; I371-L452 HydrophobicContact CG2-CD1 3.47Å; I371-L452 VanDerWaalsContact CG2-CD1 3.47Å; Y375-L452 HydrophobicContact CD1-CD2 4.36Å; Y375-L452 HydrophobicContact CD2-CD2 3.43Å; Y375-L452 VanDerWaalsContact CD2-CD2 3.43Å; Y375-L452 HydrophobicContact CE2-CD2 3.92Å; Y375-L452 HydrophobicContact CG-CD2 3.68Å; E448-L452 WeakPolarHBondContact O-CB 3.41Å; E448-L452 PolarHBondContact O-N 2.6Å; E448-L452 VanDerWaalsContact O-N 3.15Å; H449-L452 WeakPolarHBondContact O-CB 3.33Å; H449-L452 PolarHBondContact O-N 2.93Å; H450-L452 VanDerWaalsContact C-N 3.34Å; H450-L452 PolarHBondContact O-N 3.12Å; L452-L455 PolarHBondContact O-N 3.34Å; L452-I456 HydrophobicContact CD1-CD1 4.01Å; L452-I456 HydrophobicContact CD1-CG1 4.37Å; L452-I456 HydrophobicContact CG-CD1 3.96Å; L452-I456 VanDerWaalsContact O-CG1 3.28Å; L452-I456 WeakPolarHBondContact O-CG1 3.18Å; L452-I456 PolarHBondContact O-N 3.01Å; L452-F478 HydrophobicContact CB-CD2 4.04Å; L452-F478 HydrophobicContact CB-CE2 3.74Å; L452-F478 HydrophobicContact CB-CZ 4.07Å; L452-F478 HydrophobicContact CD1-CD1 4.42Å; L452-F478 HydrophobicContact CD1-CE1 3.77Å; L452-F478 HydrophobicContact CD1-CE2 4.27Å; L452-F478 HydrophobicContact CD1-CZ 3.7Å; L452-F478 HydrophobicContact CG-CE2 4.46Å; L452-F478 HydrophobicContact CG-CZ 4.32Å
453	F	98.6	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-71.9	-31.9	-180	-86.7	-108	0	0	0	112.8	F372 Y375 L438 R439 L442 H449 H450 L455 I456 E457	F372-F453 HydrophobicContact CD2-CZ 4.49Å; Y375-F453 AromaticContact CD1-CE2 3.6Å; Y375-F453 HydrophobicContact CD1-CE2 3.6Å; Y375-F453 AromaticContact CD1-CZ 3.87Å; Y375-F453 HydrophobicContact CD1-CZ 3.87Å; Y375-F453 AromaticContact CE1-CE2 3.32Å; Y375-F453 HydrophobicContact CE1-CE2 3.32Å; Y375-F453 AromaticContact CE1-CZ 3.69Å; Y375-F453 HydrophobicContact CE1-CZ 3.69Å; L438-F453 HydrophobicContact CD1-CD1 4.46Å; L438-F453 HydrophobicContact CD1-CE1 4.04Å; L438-F453 HydrophobicContact CG-CD1 4.01Å; L438-F453 HydrophobicContact CG-CE1 4.07Å; L438-F453 VanDerWaalsContact O-CE1 3.3Å; L438-F453 WeakPolarHBondContact O-CE1 3.42Å; R439-F453 HydrophobicContact CG-CD1 4.48Å; L442-F453 HydrophobicContact CD2-CB 4.34Å; L442-F453 HydrophobicContact CD2-CD1 4.47Å; L442-F453 HydrophobicContact CD2-CD2 3.36Å; L442-F453 HydrophobicContact CD2-CE2 3.76Å; L442-F453 HydrophobicContact CD2-CG 3.78Å; L442-F453 HydrophobicContact CD2-CZ 4.46Å; L442-F453 HydrophobicContact CG-CD1 4.3Å; L442-F453 HydrophobicContact CG-CD2 4.02Å; L442-F453 HydrophobicContact CG-CE1 4.49Å; L442-F453 HydrophobicContact CG-CE2 4.24Å; L442-F453 HydrophobicContact CG-CG 4.06Å; L442-F453 HydrophobicContact CG-CZ 4.47Å; H449-F453 WeakPolarHBondContact O-CD2 3.39Å; H449-F453 PolarHBondContact O-N 2.94Å; H450-F453 PolarHBondContact O-N 2.86Å; F453-L455 VanDerWaalsContact C-N 3.34Å; F453-I456 HydrophobicContact CD2-CD1 4.49Å; F453-I456 HydrophobicContact CE2-CD1 4.49Å; F453-I456 PolarHBondContact O-N 3.45Å; F453-E457 WeakPolarHBondContact O-CB 3.42Å; F453-E457 WeakPolarHBondContact O-CG 3.42Å; F453-E457 PolarHBondContact O-N 3.45Å
454	D	98.7	Very high	98.1	Very high	66 Å²	66	38.1 Å²	38.1	35%	0.353	20%	0.2	S	C	.	.	H	α-helix	trans	-62.2	-40.6	172.3	-162.3	73.8	0	0	0	112.2	R439 H450 S458 H476	R439-D454 IonicContact NH2-OD1 3.11Å; R439-D454 PolarHBondContact NH2-OD1 2.78Å; H450-D454 WeakPolarHBondContact O-CB 3.26Å; H450-D454 PolarHBondContact O-N 2.92Å; D454-S458 WeakPolarHBondContact O-CB 3.47Å; D454-S458 PolarHBondContact O-N 3.45Å; D454-S458 VanDerWaalsContact O-N 3.12Å; D454-S458 PolarHBondContact O-OG 2.42Å; D454-H476 VanDerWaalsContact CB-CE1 3.43Å; D454-H476 WeakPolarHBondContact CB-CE1 3.39Å; D454-H476 WeakPolarHBondContact CB-NE2 3.49Å; D454-H476 IonicContact OD2-CE1 2.87Å; D454-H476 PolarHBondContact OD2-CE1 2.86Å; D454-H476 IonicContact OD2-NE2 2.68Å; D454-H476 PolarHBondContact OD2-NE2 3.49Å
455	L	98.8	Very high	98.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-47	172.4	-178.4	63	0	0	0	111.7	Q451 L452 F453 S458 M459 L468 A473 H476 F478 F479	Q451-L455 PolarHBondContact O-N 3.42Å; Q451-L455 VanDerWaalsContact O-N 3.16Å; L452-L455 PolarHBondContact O-N 3.34Å; F453-L455 VanDerWaalsContact C-N 3.34Å; L455-S458 PolarHBondContact O-N 2.08Å; L455-M459 HydrophobicContact CD1-CE 3.88Å; L455-M459 HydrophobicContact CD1-SD 4.4Å; L455-M459 HydrophobicContact CD2-CE 4.41Å; L455-M459 HydrophobicContact CG-CE 4.07Å; L455-M459 HydrophobicContact CG-SD 4.14Å; L455-M459 VanDerWaalsContact O-CG 3.32Å; L455-M459 WeakPolarHBondContact O-CG 3.43Å; L455-M459 PolarHBondContact O-N 3.25Å; L455-L468 HydrophobicContact CD1-CD2 3.63Å; L455-A473 HydrophobicContact CD1-CB 4.2Å; L455-H476 HydrophobicContact CD1-CB 4.02Å; L455-F478 HydrophobicContact CD2-CD1 3.83Å; L455-F479 HydrophobicContact CD2-CE1 4.45Å; L455-F479 HydrophobicContact CD2-CE2 3.76Å; L455-F479 HydrophobicContact CD2-CZ 3.6Å
456	I	98.8	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-43.4	179.3	-63.4	163.5	0	0	0	110.9	I371 F372 L438 L452 F453 S458 M459 L460	I371-I456 HydrophobicContact CB-CG1 4.41Å; I371-I456 HydrophobicContact CG2-CD1 3.99Å; I371-I456 HydrophobicContact CG2-CG1 3.87Å; F372-I456 HydrophobicContact CB-CD1 4.39Å; L438-I456 HydrophobicContact CD2-CG2 3.97Å; L452-I456 HydrophobicContact CD1-CD1 4.01Å; L452-I456 HydrophobicContact CD1-CG1 4.37Å; L452-I456 HydrophobicContact CG-CD1 3.96Å; L452-I456 VanDerWaalsContact O-CG1 3.28Å; L452-I456 WeakPolarHBondContact O-CG1 3.18Å; L452-I456 PolarHBondContact O-N 3.01Å; F453-I456 HydrophobicContact CD2-CD1 4.49Å; F453-I456 HydrophobicContact CE2-CD1 4.49Å; F453-I456 PolarHBondContact O-N 3.45Å; I456-S458 VanDerWaalsContact C-N 3.31Å; I456-S458 PolarHBondContact O-N 3.48Å; I456-M459 CarbonylContact O-C 3.5Å; I456-M459 PolarHBondContact O-N 3.06Å; I456-M459 VanDerWaalsContact O-N 3.17Å; I456-L460 HydrophobicContact CG2-CD1 3.63Å; I456-L460 HydrophobicContact CG2-CG 4.14Å; I456-L460 WeakPolarHBondContact O-CB 3.43Å; I456-L460 WeakPolarHBondContact O-CG 3.4Å; I456-L460 PolarHBondContact O-N 2.98Å
457	E	98.7	Very high	98.4	Very high	65 Å²	65	38.4 Å²	38.4	30%	0.304	20%	0.202	S	C	.	.	H	α-helix	trans	-60.2	-41.8	176.3	-79	174	-177.4	0	0	111.5	L438 R439 F453 M459 L460 E461	L438-E457 HydrophobicContact CD2-CG 3.67Å; R439-E457 WeakPolarHBondContact CD-OE1 3.5Å; R439-E457 WeakPolarHBondContact CG-OE1 3.48Å; R439-E457 IonicContact CZ-OE1 2.81Å; R439-E457 IonicContact CZ-OE2 2.74Å; R439-E457 VanDerWaalsContact CZ-OE2 3.27Å; R439-E457 VanDerWaalsContact NE-CD 3.3Å; R439-E457 IonicContact NE-OE1 3.4Å; R439-E457 PolarHBondContact NE-OE1 2.83Å; R439-E457 IonicContact NE-OE2 3.4Å; R439-E457 PolarHBondContact NE-OE2 2.68Å; R439-E457 IonicContact NH2-OE1 2.61Å; R439-E457 IonicContact NH2-OE2 2.89Å; R439-E457 PolarHBondContact NH2-OE2 3.03Å; F453-E457 WeakPolarHBondContact O-CB 3.42Å; F453-E457 WeakPolarHBondContact O-CG 3.42Å; F453-E457 PolarHBondContact O-N 3.45Å; E457-M459 VanDerWaalsContact C-N 3.31Å; E457-M459 PolarHBondContact O-N 3.12Å; E457-L460 CarbonylContact O-C 3.59Å; E457-L460 PolarHBondContact O-N 3.12Å; E457-E461 PolarHBondContact O-N 3.35Å
458	S	98.8	Very high	98.4	Very high	41 Å²	41	34 Å²	34	29%	0.287	18%	0.182	S	C	.	.	H	α-helix	trans	-67.4	-28.9	176.7	-58.2	0	0	0	0	113.4	D454 L455 I456 L468	D454-S458 WeakPolarHBondContact O-CB 3.47Å; D454-S458 PolarHBondContact O-N 3.45Å; D454-S458 VanDerWaalsContact O-N 3.12Å; D454-S458 PolarHBondContact O-OG 2.42Å; L455-S458 PolarHBondContact O-N 2.08Å; I456-S458 VanDerWaalsContact C-N 3.31Å; I456-S458 PolarHBondContact O-N 3.48Å; S458-L468 WeakPolarHBondContact O-CB 3.42Å; S458-L468 PolarHBondContact O-N 2.74Å; S458-L468 VanDerWaalsContact O-N 3.12Å
459	M	98.9	Very high	98.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-80.8	-26	173	-71.2	175.7	163.7	0	0	113.4	V364 I367 I371 L455 I456 E457 R467 L468 L470 A473	V364-M459 HydrophobicContact CG1-CB 3.96Å; V364-M459 HydrophobicContact CG1-CG 3.74Å; I367-M459 HydrophobicContact CG2-CE 3.79Å; I367-M459 HydrophobicContact CG2-SD 3.85Å; I371-M459 HydrophobicContact CD1-CE 4.2Å; I371-M459 HydrophobicContact CD1-SD 3.89Å; L455-M459 HydrophobicContact CD1-CE 3.88Å; L455-M459 HydrophobicContact CD1-SD 4.4Å; L455-M459 HydrophobicContact CD2-CE 4.41Å; L455-M459 HydrophobicContact CG-CE 4.07Å; L455-M459 HydrophobicContact CG-SD 4.14Å; L455-M459 VanDerWaalsContact O-CG 3.32Å; L455-M459 WeakPolarHBondContact O-CG 3.43Å; L455-M459 PolarHBondContact O-N 3.25Å; I456-M459 CarbonylContact O-C 3.5Å; I456-M459 PolarHBondContact O-N 3.06Å; I456-M459 VanDerWaalsContact O-N 3.17Å; E457-M459 VanDerWaalsContact C-N 3.31Å; E457-M459 PolarHBondContact O-N 3.12Å; M459-R467 WeakPolarHBondContact O-CD 3.42Å; M459-R467 WeakPolarHBondContact O-CG 3.27Å; M459-L468 HydrophobicContact CG-CD2 4.45Å; M459-L470 HydrophobicContact CE-CD2 4.42Å; M459-A473 HydrophobicContact CE-CB 3.96Å
460	L	98.9	Very high	98.5	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	19%	0.194	C	C	.	.	S	Bend	trans	-100.4	20.3	179.7	-61.6	-178.9	0	0	0	113.3	W365 L380 L397 L438 I456 E457 Y462	W365-L460 HydrophobicContact CD2-CD2 3.66Å; W365-L460 HydrophobicContact CE3-CB 4.39Å; W365-L460 HydrophobicContact CE3-CD2 3.96Å; W365-L460 HydrophobicContact CG-CD2 4.01Å; W365-L460 HydrophobicContact CH2-CD2 4.49Å; W365-L460 HydrophobicContact CZ2-CD2 4.19Å; W365-L460 HydrophobicContact CZ3-CB 4.22Å; W365-L460 HydrophobicContact CZ3-CD2 4.38Å; W365-L460 WeakPolarHBondContact CZ3-O 3.42Å; L380-L460 HydrophobicContact CD2-CD1 3.43Å; L380-L460 VanDerWaalsContact CD2-CD1 3.43Å; L397-L460 HydrophobicContact CD1-CB 4.07Å; L397-L460 HydrophobicContact CD2-CB 3.91Å; L397-L460 HydrophobicContact CD2-CD1 4.1Å; L438-L460 HydrophobicContact CD2-CD1 4.21Å; I456-L460 HydrophobicContact CG2-CD1 3.63Å; I456-L460 HydrophobicContact CG2-CG 4.14Å; I456-L460 WeakPolarHBondContact O-CB 3.43Å; I456-L460 WeakPolarHBondContact O-CG 3.4Å; I456-L460 PolarHBondContact O-N 2.98Å; E457-L460 CarbonylContact O-C 3.59Å; E457-L460 PolarHBondContact O-N 3.12Å; L460-Y462 PolarHBondContact O-N 3.04Å
461	E	98.8	Very high	98.5	Very high	57 Å²	57	34.2 Å²	34.2	27%	0.266	20%	0.196	S	C	.	.			trans	-61.1	129.7	167.1	164.6	52.7	-134.7	0	0	110.2	E457 E463 K466 R467	E457-E461 PolarHBondContact O-N 3.35Å; E461-E463 PolarHBondContact O-N 3.14Å; E461-E463 WeakPolarHBondContact OE1-CB 3.01Å; E461-E463 PolarHBondContact OE1-N 3.29Å; E461-K466 HydrophobicContact CG-CB 3.63Å; E461-R467 HydrophobicContact CB-CB 4.24Å; E461-R467 HydrophobicContact CB-CG 4.46Å; E461-R467 HydrophobicContact CG-CB 4.41Å; E461-R467 PolarHBondContact O-NE 3.15Å; E461-R467 PolarHBondContact O-NH2 3.41Å
462	Y	98.8	Very high	98.5	Very high	12 Å²	12	37.4 Å²	37.4	5%	0.047	21%	0.211	C	C	.	.	S	Bend	trans	-62.9	-43.6	-175.1	-81.1	-73.8	0	0	0	113.3	P350 W365 M393 E394 L397 G398 I400 P401 M404 L460 P464 R467	P350-Y462 HydrophobicContact CB-CD1 4.09Å; P350-Y462 HydrophobicContact CG-CD1 3.96Å; W365-Y462 HydrophobicContact CH2-CD1 4.44Å; W365-Y462 HydrophobicContact CH2-CE1 4.49Å; M393-Y462 HydrophobicContact CB-CE1 3.97Å; M393-Y462 WeakPolarHBondContact CB-OH 3.49Å; M393-Y462 PolarHBondContact O-OH 3.22Å; M393-Y462 HydrophobicContact SD-CE1 4.2Å; E394-Y462 WeakPolarHBondContact CA-OH 3.49Å; E394-Y462 PolarHBondContact N-OH 3.07Å; L397-Y462 HydrophobicContact CB-CE2 3.9Å; G398-Y462 VanDerWaalsContact O-CE2 3.22Å; G398-Y462 WeakPolarHBondContact O-CE2 3.46Å; G398-Y462 PolarHBondContact O-OH 3.48Å; I400-Y462 HydrophobicContact CB-CE1 4.48Å; I400-Y462 HydrophobicContact CG1-CD1 4.27Å; I400-Y462 HydrophobicContact CG1-CE1 3.61Å; P401-Y462 VanDerWaalsContact CD-CB 3.46Å; P401-Y462 HydrophobicContact CG-CD2 4.33Å; P401-Y462 HydrophobicContact CG-CG 4.23Å; M404-Y462 VanDerWaalsContact CE-O 3.22Å; M404-Y462 WeakPolarHBondContact CE-O 3.27Å; L460-Y462 PolarHBondContact O-N 3.04Å; Y462-P464 VanDerWaalsContact O-CD 3.27Å; Y462-P464 WeakPolarHBondContact O-CD 3.37Å; Y462-R467 PolarHBondContact O-NH2 2.91Å
463	E	98.4	Very high	98.5	Very high	15 Å²	15	37.4 Å²	37.4	7%	0.07	21%	0.211	C	C	.	.	S	Bend	trans	-83.9	112.2	-176	-51.3	-157.6	81.8	0	0	109.8	P401 R403 M404 E461 A465 K466 R467	P401-E463 HydrophobicContact CB-CG 4Å; P401-E463 HydrophobicContact CG-CG 3.79Å; R403-E463 IonicContact CZ-OE1 3.81Å; R403-E463 IonicContact NE-OE1 2.77Å; R403-E463 PolarHBondContact NE-OE1 2.93Å; R403-E463 IonicContact NH2-OE1 2.71Å; R403-E463 PolarHBondContact NH2-OE1 3.23Å; M404-E463 HydrophobicContact SD-CG 4.05Å; E461-E463 PolarHBondContact O-N 3.14Å; E461-E463 WeakPolarHBondContact OE1-CB 3.01Å; E461-E463 PolarHBondContact OE1-N 3.29Å; E463-A465 PolarHBondContact O-N 3.45Å; E463-K466 HydrophobicContact CB-CB 4.42Å; E463-K466 HydrophobicContact CB-CD 4.14Å; E463-K466 HydrophobicContact CB-CG 4.32Å; E463-K466 HydrophobicContact CG-CD 4.44Å; E463-K466 PolarHBondContact O-N 3.28Å; E463-K466 VanDerWaalsContact OE2-CE 3.29Å; E463-K466 WeakPolarHBondContact OE2-CE 3.44Å; E463-K466 IonicContact OE2-NZ 2.68Å; E463-K466 PolarHBondContact OE2-NZ 3.06Å; E463-R467 PolarHBondContact O-N 2.89Å; E463-R467 VanDerWaalsContact O-N 3.16Å
464	P	98.3	Very high	98.4	Very high	37 Å²	37	38.5 Å²	38.5	24%	0.24	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.1	-173.4	23.6	-35.4	0	0	0	114.6	E351 P361 Y462	E351-P464 HydrophobicContact CB-CG 4.12Å; E351-P464 HydrophobicContact CG-CB 4.38Å; E351-P464 HydrophobicContact CG-CG 3.98Å; P361-P464 HydrophobicContact CB-CB 3.64Å; P361-P464 HydrophobicContact CG-CB 4.13Å; P361-P464 WeakPolarHBondContact CG-O 3.45Å; Y462-P464 VanDerWaalsContact O-CD 3.27Å; Y462-P464 WeakPolarHBondContact O-CD 3.37Å
465	A	97.9	Very high	98.4	Very high	94 Å²	94	41.3 Å²	41.3	78%	0.777	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	1.8	173.8	0	0	0	0	0	114.4	E463	E463-A465 PolarHBondContact O-N 3.45Å
466	K	98.1	Very high	98.3	Very high	140 Å²	140	42.3 Å²	42.3	61%	0.609	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-20.1	170.2	-70.3	178.1	175.7	165.2	0	112.7	E461 E463	E461-K466 HydrophobicContact CG-CB 3.63Å; E463-K466 HydrophobicContact CB-CB 4.42Å; E463-K466 HydrophobicContact CB-CD 4.14Å; E463-K466 HydrophobicContact CB-CG 4.32Å; E463-K466 HydrophobicContact CG-CD 4.44Å; E463-K466 PolarHBondContact O-N 3.28Å; E463-K466 VanDerWaalsContact OE2-CE 3.29Å; E463-K466 WeakPolarHBondContact OE2-CE 3.44Å; E463-K466 IonicContact OE2-NZ 2.68Å; E463-K466 PolarHBondContact OE2-NZ 3.06Å
467	R	98.6	Very high	98.3	Very high	11 Å²	11	45.6 Å²	45.6	4%	0.042	25%	0.254	C	S	.	.	S	Bend	trans	-60	137.6	-180	-168.2	-179.7	-61.9	147.2	8.8	110.6	E351 P361 V364 M459 E461 Y462 E463 T469	E351-R467 IonicContact OE1-CZ 2.75Å; E351-R467 IonicContact OE1-NH1 2.7Å; E351-R467 PolarHBondContact OE1-NH1 3.08Å; E351-R467 IonicContact OE1-NH2 2.71Å; E351-R467 IonicContact OE2-CZ 2.7Å; E351-R467 IonicContact OE2-NH1 3.13Å; E351-R467 PolarHBondContact OE2-NH1 2.89Å; E351-R467 IonicContact OE2-NH2 3.86Å; E351-R467 PolarHBondContact OE2-NH2 3.44Å; P361-R467 WeakPolarHBondContact O-CD 3.44Å; P361-R467 PolarHBondContact O-NH1 2.84Å; V364-R467 HydrophobicContact CB-CG 4.38Å; V364-R467 HydrophobicContact CG1-CG 4.03Å; M459-R467 WeakPolarHBondContact O-CD 3.42Å; M459-R467 WeakPolarHBondContact O-CG 3.27Å; E461-R467 HydrophobicContact CB-CB 4.24Å; E461-R467 HydrophobicContact CB-CG 4.46Å; E461-R467 HydrophobicContact CG-CB 4.41Å; E461-R467 PolarHBondContact O-NE 3.15Å; E461-R467 PolarHBondContact O-NH2 3.41Å; Y462-R467 PolarHBondContact O-NH2 2.91Å; E463-R467 PolarHBondContact O-N 2.89Å; E463-R467 VanDerWaalsContact O-N 3.16Å; R467-T469 PolarHBondContact O-N 2.85Å
468	L	98.1	Very high	98.2	Very high	29 Å²	29	42.5 Å²	42.5	15%	0.152	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-52.6	130	-177	-172.7	69.5	0	0	0	111.9	V364 L455 S458 M459 E472 A473	V364-L468 WeakPolarHBondContact CG1-O 3.4Å; L455-L468 HydrophobicContact CD1-CD2 3.63Å; S458-L468 WeakPolarHBondContact O-CB 3.42Å; S458-L468 PolarHBondContact O-N 2.74Å; S458-L468 VanDerWaalsContact O-N 3.12Å; M459-L468 HydrophobicContact CG-CD2 4.45Å; L468-E472 HydrophobicContact CD1-CB 3.51Å; L468-E472 HydrophobicContact CG-CB 4.26Å; L468-A473 HydrophobicContact CD2-CB 3.73Å; L468-A473 HydrophobicContact CG-CB 4.18Å
469	T	98.6	Very high	98.2	Very high	76 Å²	76	40.5 Å²	40.5	47%	0.466	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-77.3	153.7	171.9	70	0	0	0	0	110.7	R467 G471 E472 A473	R467-T469 PolarHBondContact O-N 2.85Å; T469-G471 PolarHBondContact O-N 2.74Å; T469-E472 VanDerWaalsContact CB-OE2 3.26Å; T469-E472 WeakPolarHBondContact CB-OE2 3.42Å; T469-E472 WeakPolarHBondContact CG2-OE2 3.4Å; T469-E472 PolarHBondContact N-OE2 2.88Å; T469-E472 PolarHBondContact O-N 3.11Å; T469-E472 VanDerWaalsContact OG1-CD 3.28Å; T469-E472 WeakPolarHBondContact OG1-CG 3.45Å; T469-E472 PolarHBondContact OG1-N 3.3Å; T469-E472 PolarHBondContact OG1-OE2 2.67Å; T469-A473 PolarHBondContact O-N 3.31Å
470	L	98.3	Very high	97.8	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-20.9	177.8	-60.8	-178.7	0	0	0	113.3	C275 V278 K279 V364 I367 M459 A473 L474	C275-L470 HydrophobicContact CB-CD2 4.35Å; V278-L470 HydrophobicContact CB-CD1 3.58Å; V278-L470 HydrophobicContact CG1-CD1 3.51Å; K279-L470 HydrophobicContact CB-CB 3.81Å; K279-L470 HydrophobicContact CB-CD1 4.45Å; K279-L470 HydrophobicContact CG-CB 4.2Å; V364-L470 HydrophobicContact CG1-CD2 4.42Å; V364-L470 HydrophobicContact CG2-CD2 4Å; V364-L470 HydrophobicContact CG2-CG 4.02Å; I367-L470 HydrophobicContact CD1-CD1 3.96Å; I367-L470 HydrophobicContact CD1-CD2 3.91Å; M459-L470 HydrophobicContact CE-CD2 4.42Å; L470-A473 HydrophobicContact CD2-CB 4.43Å; L470-L474 WeakPolarHBondContact O-CG 3.44Å; L470-L474 PolarHBondContact O-N 3.16Å
471	G	97.4	Very high	97	Very high	27 Å²	27	49.5 Å²	49.5	28%	0.278	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-41.1	170	0	0	0	0	0	113	T469	T469-G471 PolarHBondContact O-N 2.74Å
472	E	98	Very high	96.3	Very high	108 Å²	108	49.4 Å²	49.4	51%	0.505	27%	0.268	S	S	.	.	H	α-helix	trans	-75.1	-39	174.8	-64.6	156.8	133	0	0	111.2	L468 T469 L474 Q475 H476	L468-E472 HydrophobicContact CD1-CB 3.51Å; L468-E472 HydrophobicContact CG-CB 4.26Å; T469-E472 VanDerWaalsContact CB-OE2 3.26Å; T469-E472 WeakPolarHBondContact CB-OE2 3.42Å; T469-E472 WeakPolarHBondContact CG2-OE2 3.4Å; T469-E472 PolarHBondContact N-OE2 2.88Å; T469-E472 PolarHBondContact O-N 3.11Å; T469-E472 VanDerWaalsContact OG1-CD 3.28Å; T469-E472 WeakPolarHBondContact OG1-CG 3.45Å; T469-E472 PolarHBondContact OG1-N 3.3Å; T469-E472 PolarHBondContact OG1-OE2 2.67Å; E472-L474 VanDerWaalsContact C-N 3.34Å; E472-L474 PolarHBondContact O-N 2.56Å; E472-Q475 WeakPolarHBondContact O-CA 3.49Å; E472-Q475 WeakPolarHBondContact O-CB 3.49Å; E472-Q475 PolarHBondContact O-N 3.38Å; E472-H476 PolarHBondContact O-N 2.86Å
473	A	98.4	Very high	94.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.6	-44.5	177.6	0	0	0	0	0	112.3	L455 M459 L468 T469 L470 Q475 H476 F479	L455-A473 HydrophobicContact CD1-CB 4.2Å; M459-A473 HydrophobicContact CE-CB 3.96Å; L468-A473 HydrophobicContact CD2-CB 3.73Å; L468-A473 HydrophobicContact CG-CB 4.18Å; T469-A473 PolarHBondContact O-N 3.31Å; L470-A473 HydrophobicContact CD2-CB 4.43Å; A473-Q475 PolarHBondContact O-N 3Å; A473-Q475 VanDerWaalsContact O-N 3.14Å; A473-H476 WeakPolarHBondContact O-CB 3.47Å; A473-H476 PolarHBondContact O-N 3.49Å; A473-F479 WeakPolarHBondContact O-CD2 3.4Å; A473-F479 WeakPolarHBondContact O-CE2 3.45Å
474	L	97.8	Very high	93.2	Very high	24 Å²	24	57 Å²	57	13%	0.126	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.1	176.2	-70.9	169.3	0	0	0	113.8	F272 C275 Q276 K279 L470 E472	F272-L474 HydrophobicContact CD2-CD2 3.68Å; F272-L474 HydrophobicContact CE2-CD2 3.57Å; F272-L474 HydrophobicContact CG-CD2 4.23Å; F272-L474 HydrophobicContact CZ-CD2 4.03Å; C275-L474 HydrophobicContact CB-CD2 3.66Å; C275-L474 HydrophobicContact CB-CG 3.99Å; Q276-L474 HydrophobicContact CB-CD2 4.35Å; K279-L474 HydrophobicContact CD-CD1 3.91Å; L470-L474 WeakPolarHBondContact O-CG 3.44Å; L470-L474 PolarHBondContact O-N 3.16Å; E472-L474 VanDerWaalsContact C-N 3.34Å; E472-L474 PolarHBondContact O-N 2.56Å
475	Q	97.5	Very high	90.9	Very high	125 Å²	125	59.5 Å²	59.5	58%	0.584	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.3	173.9	-57.1	-55.5	-32.4	0	0	113.8	E472 A473 R483	E472-Q475 WeakPolarHBondContact O-CA 3.49Å; E472-Q475 WeakPolarHBondContact O-CB 3.49Å; E472-Q475 PolarHBondContact O-N 3.38Å; A473-Q475 PolarHBondContact O-N 3Å; A473-Q475 VanDerWaalsContact O-N 3.14Å; Q475-R483 PolarHBondContact O-NH1 2.96Å; Q475-R483 PolarHBondContact O-NH2 3.33Å
476	H	98.3	Very high	88.2	Confident	21 Å²	21	58.6 Å²	58.6	10%	0.097	31%	0.308	C	S	.	.	S	Bend	trans	-57.5	143.4	-172	-167.6	-87.6	0	0	0	113.2	Q451 D454 L455 E472 A473 F478 F479 R483	Q451-H476 VanDerWaalsContact CA-CE1 3.43Å; Q451-H476 WeakPolarHBondContact CA-CE1 3.32Å; Q451-H476 PolarHBondContact O-CE1 2.79Å; D454-H476 VanDerWaalsContact CB-CE1 3.43Å; D454-H476 WeakPolarHBondContact CB-CE1 3.39Å; D454-H476 WeakPolarHBondContact CB-NE2 3.49Å; D454-H476 IonicContact OD2-CE1 2.87Å; D454-H476 PolarHBondContact OD2-CE1 2.86Å; D454-H476 IonicContact OD2-NE2 2.68Å; D454-H476 PolarHBondContact OD2-NE2 3.49Å; L455-H476 HydrophobicContact CD1-CB 4.02Å; E472-H476 PolarHBondContact O-N 2.86Å; A473-H476 WeakPolarHBondContact O-CB 3.47Å; A473-H476 PolarHBondContact O-N 3.49Å; H476-F478 WeakPolarHBondContact ND1-CB 3.21Å; H476-F478 PolarHBondContact ND1-N 3.23Å; H476-F478 PolarHBondContact O-N 3.14Å; H476-F479 HydrophobicContact CB-CD2 4.4Å; H476-F479 PolarHBondContact O-N 3.24Å; H476-R483 PolarHBondContact O-NH2 2.71Å
477	P	97.5	Very high	85.9	Confident	68 Å²	68	57.1 Å²	57.1	44%	0.442	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-49.8	-34	-179.4	-32.1	37.1	0	0	0	115.2	Q451 F479 T480	Q451-P477 HydrophobicContact CG-CB 4.5Å; P477-F479 PolarHBondContact O-N 3.18Å; P477-F479 VanDerWaalsContact O-N 3.12Å; P477-T480 VanDerWaalsContact O-CB 3.27Å; P477-T480 WeakPolarHBondContact O-CB 3.5Å; P477-T480 PolarHBondContact O-N 2.99Å; P477-T480 PolarHBondContact O-OG1 3.36Å; P477-T480 VanDerWaalsContact O-OG1 3.12Å
478	F	97.9	Very high	83.1	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-54.8	-31.8	178.6	-179.3	-120.3	0	0	0	113.7	I264 R268 E448 Q451 L452 L455 H476	I264-F478 HydrophobicContact CD1-CE2 4.22Å; I264-F478 HydrophobicContact CG1-CE2 4.11Å; I264-F478 HydrophobicContact CG1-CZ 4.27Å; R268-F478 HydrophobicContact CB-CE1 3.81Å; R268-F478 HydrophobicContact CB-CE2 4.29Å; R268-F478 HydrophobicContact CB-CZ 3.55Å; R268-F478 WeakPolarHBondContact CD-O 3.46Å; R268-F478 HydrophobicContact CG-CD1 4.33Å; R268-F478 HydrophobicContact CG-CE1 3.9Å; R268-F478 HydrophobicContact CG-CE2 4.46Å; R268-F478 HydrophobicContact CG-CZ 3.95Å; R268-F478 PolarHBondContact NE-O 3.43Å; E448-F478 WeakPolarHBondContact O-CD2 3.28Å; E448-F478 WeakPolarHBondContact O-CE2 3.32Å; Q451-F478 HydrophobicContact CB-CB 4.01Å; Q451-F478 HydrophobicContact CB-CD2 4.18Å; L452-F478 HydrophobicContact CB-CD2 4.04Å; L452-F478 HydrophobicContact CB-CE2 3.74Å; L452-F478 HydrophobicContact CB-CZ 4.07Å; L452-F478 HydrophobicContact CD1-CD1 4.42Å; L452-F478 HydrophobicContact CD1-CE1 3.77Å; L452-F478 HydrophobicContact CD1-CE2 4.27Å; L452-F478 HydrophobicContact CD1-CZ 3.7Å; L452-F478 HydrophobicContact CG-CE2 4.46Å; L452-F478 HydrophobicContact CG-CZ 4.32Å; L455-F478 HydrophobicContact CD2-CD1 3.83Å; H476-F478 WeakPolarHBondContact ND1-CB 3.21Å; H476-F478 PolarHBondContact ND1-N 3.23Å; H476-F478 PolarHBondContact O-N 3.14Å
479	F	97.3	Very high	80.3	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-91.6	-2.9	179.6	-58.8	-53.3	0	0	0	114.1	R268 A271 F272 L455 A473 H476 P477 R481 L482 R483	R268-F479 HydrophobicContact CG-CD1 3.95Å; R268-F479 HydrophobicContact CG-CE1 4.4Å; R268-F479 WeakPolarHBondContact O-CE1 3.41Å; A271-F479 HydrophobicContact CB-CE1 3.92Å; A271-F479 HydrophobicContact CB-CZ 4.01Å; F272-F479 HydrophobicContact CB-CD1 3.78Å; F272-F479 HydrophobicContact CB-CE1 3.73Å; F272-F479 HydrophobicContact CB-CG 4.47Å; F272-F479 HydrophobicContact CB-CZ 4.36Å; F272-F479 HydrophobicContact CD2-CB 3.92Å; F272-F479 AromaticContact CD2-CD1 3.89Å; F272-F479 HydrophobicContact CD2-CD1 3.89Å; F272-F479 HydrophobicContact CD2-CD2 4.12Å; F272-F479 HydrophobicContact CD2-CE1 4.43Å; F272-F479 AromaticContact CD2-CG 3.72Å; F272-F479 HydrophobicContact CD2-CG 3.72Å; F272-F479 HydrophobicContact CE2-CB 4.4Å; F272-F479 HydrophobicContact CG-CD1 4.33Å; L455-F479 HydrophobicContact CD2-CE1 4.45Å; L455-F479 HydrophobicContact CD2-CE2 3.76Å; L455-F479 HydrophobicContact CD2-CZ 3.6Å; A473-F479 WeakPolarHBondContact O-CD2 3.4Å; A473-F479 WeakPolarHBondContact O-CE2 3.45Å; H476-F479 HydrophobicContact CB-CD2 4.4Å; H476-F479 PolarHBondContact O-N 3.24Å; P477-F479 PolarHBondContact O-N 3.18Å; P477-F479 VanDerWaalsContact O-N 3.12Å; F479-R481 VanDerWaalsContact C-N 3.27Å; F479-R481 PolarHBondContact O-N 2.94Å; F479-L482 HydrophobicContact CD1-CD1 4.3Å; F479-L482 WeakPolarHBondContact O-CB 3.4Å; F479-L482 PolarHBondContact O-N 3.1Å; F479-R483 PolarHBondContact O-N 2.74Å
480	T	91.1	Very high	77.6	Confident	69 Å²	69	71.2 Å²	71.2	42%	0.423	38%	0.377	S	S	.	.	H	α-helix	trans	-60	-32.7	-176.6	-61.1	0	0	0	0	113.4	P477 L482 R483 A484	P477-T480 VanDerWaalsContact O-CB 3.27Å; P477-T480 WeakPolarHBondContact O-CB 3.5Å; P477-T480 PolarHBondContact O-N 2.99Å; P477-T480 PolarHBondContact O-OG1 3.36Å; P477-T480 VanDerWaalsContact O-OG1 3.12Å; T480-L482 PolarHBondContact O-N 3.22Å; T480-R483 PolarHBondContact O-N 3.4Å; T480-R483 VanDerWaalsContact O-N 3.14Å; T480-R483 PolarHBondContact OG1-NH2 3.1Å; T480-A484 PolarHBondContact O-N 2.88Å; T480-A484 VanDerWaalsContact O-N 3.14Å
481	R	82.9	Confident	75.5	Confident	123 Å²	123	80.2 Å²	80.2	46%	0.464	41%	0.411	S	S	.	.	H	α-helix	trans	-61.4	-39.5	174.3	-67.5	-167	-172.6	162.7	9	113	E448 F479 R483 A484 E485	E448-R481 IonicContact OE1-CZ 3.21Å; E448-R481 IonicContact OE1-NH1 2.7Å; E448-R481 PolarHBondContact OE1-NH1 2.77Å; E448-R481 IonicContact OE1-NH2 2.88Å; E448-R481 PolarHBondContact OE1-NH2 2.91Å; E448-R481 IonicContact OE2-CZ 3.78Å; E448-R481 IonicContact OE2-NH1 3.1Å; E448-R481 PolarHBondContact OE2-NH1 2.84Å; E448-R481 VanDerWaalsContact OE2-NH1 3.1Å; F479-R481 VanDerWaalsContact C-N 3.27Å; F479-R481 PolarHBondContact O-N 2.94Å; R481-R483 PolarHBondContact O-N 2.83Å; R481-A484 PolarHBondContact O-N 2.7Å; R481-E485 PolarHBondContact O-N 2.81Å
482	L	82.5	Confident	72.7	Confident	54 Å²	54	84.6 Å²	84.6	28%	0.283	43%	0.428	S	S	.	.	H	α-helix	trans	-65.5	-25.5	176.7	-62.7	178.6	0	0	0	112.8	R268 F272 F479 T480	R268-L482 HydrophobicContact CG-CD1 3.94Å; R268-L482 HydrophobicContact CG-CG 4.09Å; F272-L482 HydrophobicContact CB-CD1 3.62Å; F272-L482 HydrophobicContact CD1-CD1 4.35Å; F272-L482 HydrophobicContact CD2-CD1 4.18Å; F272-L482 HydrophobicContact CG-CD1 3.79Å; F479-L482 HydrophobicContact CD1-CD1 4.3Å; F479-L482 WeakPolarHBondContact O-CB 3.4Å; F479-L482 PolarHBondContact O-N 3.1Å; T480-L482 PolarHBondContact O-N 3.22Å
483	R	71.1	Confident	69.7	Low	107 Å²	107	84.9 Å²	84.9	40%	0.404	44%	0.442	S	S	.	.	H	α-helix	trans	-88	-16.1	179.3	-63.7	-179.2	-74.1	179.1	-3.5	113.2	Q475 H476 F479 T480 R481	Q475-R483 PolarHBondContact O-NH1 2.96Å; Q475-R483 PolarHBondContact O-NH2 3.33Å; H476-R483 PolarHBondContact O-NH2 2.71Å; F479-R483 PolarHBondContact O-N 2.74Å; T480-R483 PolarHBondContact O-N 3.4Å; T480-R483 VanDerWaalsContact O-N 3.14Å; T480-R483 PolarHBondContact OG1-NH2 3.1Å; R481-R483 PolarHBondContact O-N 2.83Å
484	A	61.5	Low	66.9	Low	79 Å²	79	89.3 Å²	89.3	65%	0.653	47%	0.473	S	S	*	.	H	α-helix	trans	-96.7	-21.2	-175.3	0	0	0	0	0	113.8	T480 R481	T480-A484 PolarHBondContact O-N 2.88Å; T480-A484 VanDerWaalsContact O-N 3.14Å; R481-A484 PolarHBondContact O-N 2.7Å
485	E	49.5	Very low	64	Low	91 Å²	91	98.9 Å²	98.9	43%	0.425	51%	0.508	S	S	.	.	S	Bend	trans	-92.3	134	179.3	-68.2	-173	-140.9	0	0	111.7	R481 L490	R481-E485 PolarHBondContact O-N 2.81Å; E485-L490 WeakPolarHBondContact OE2-CD1 3.4Å; E485-L490 WeakPolarHBondContact OE2-CG 2.95Å
486	P	42.4	Very low	61	Low	75 Å²	75	99.3 Å²	99.3	49%	0.487	51%	0.514	S	S	.	.			trans	-67.9	145	174.9	29.3	-34.4	0	0	0	110.1	N488 K489	P486-N488 PolarHBondContact O-N 2.87Å; P486-K489 HydrophobicContact CG-CD 4.21Å; P486-K489 HydrophobicContact CG-CG 4.41Å
487	P	49.8	Very low	58.2	Low	109 Å²	109	106.2 Å²	106.2	71%	0.708	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	53.5	-171.6	34.2	-38.9	0	0	0	112.7	W491	P487-W491 HydrophobicContact CB-CH2 4.39Å; P487-W491 VanDerWaalsContact O-CZ3 3.29Å; P487-W491 WeakPolarHBondContact O-CZ3 3.35Å
488	N	40.2	Very low	55.3	Low	143 Å²	143	107 Å²	107	77%	0.765	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160.1	15	-178.2	-102.2	-23.8	0	0	0	113.8	P486	P486-N488 PolarHBondContact O-N 2.87Å
489	K	37.8	Very low	52.2	Low	164 Å²	164	122.1 Å²	122.1	71%	0.713	61%	0.614	S	S	*	*	S	Bend	trans	-126.2	-2	-175.6	-77.4	-167.7	174	-178.3	0	117	P486	P486-K489 HydrophobicContact CG-CD 4.21Å; P486-K489 HydrophobicContact CG-CG 4.41Å
490	L	42.7	Very low	49.9	Very low	105 Å²	105	128.3 Å²	128.3	55%	0.55	64%	0.644	S	S	.	*	S	Bend	trans	-100.4	-2.7	-175	-95.5	167	0	0	0	115.7	E485	E485-L490 WeakPolarHBondContact OE2-CD1 3.4Å; E485-L490 WeakPolarHBondContact OE2-CG 2.95Å
491	W	53.9	Low	47.8	Very low	193 Å²	193	131.4 Å²	131.4	73%	0.731	66%	0.656	S	S	*	*	S	Bend	trans	-118	13	-170.1	-45.4	-62.5	0	0	0	114.7	P487	P487-W491 HydrophobicContact CB-CH2 4.39Å; P487-W491 VanDerWaalsContact O-CZ3 3.29Å; P487-W491 WeakPolarHBondContact O-CZ3 3.35Å
492	D	38.4	Very low	45.8	Very low	119 Å²	119	131.8 Å²	131.8	64%	0.636	67%	0.667	S	S	*	*			trans	-130.6	88.3	164	-169.5	-3.9	0	0	0	110.1	S494	D492-S494 VanDerWaalsContact C-N 3.35Å; D492-S494 WeakPolarHBondContact OD1-CB 3.44Å; D492-S494 PolarHBondContact OD1-N 2.92Å; D492-S494 PolarHBondContact OD1-OG 2.78Å
493	S	36	Very low	43.7	Very low	114 Å²	114	136.4 Å²	136.4	80%	0.797	69%	0.689	S	S	*	*			trans	-97.5	29.5	170.8	59.4	0	0	0	0	112.4	R495	S493-R495 PolarHBondContact O-N 3.29Å
494	S	38.6	Very low	41.9	Very low	92 Å²	92	138.3 Å²	138.3	64%	0.643	71%	0.707	S	S	*	*			trans	-73.5	44.3	169.6	68.4	0	0	0	0	112.9	D492 D496	D492-S494 VanDerWaalsContact C-N 3.35Å; D492-S494 WeakPolarHBondContact OD1-CB 3.44Å; D492-S494 PolarHBondContact OD1-N 2.92Å; D492-S494 PolarHBondContact OD1-OG 2.78Å; S494-D496 VanDerWaalsContact C-N 3.32Å; S494-D496 PolarHBondContact O-N 3.29Å
495	R	36.8	Very low	40.6	Very low	226 Å²	226	142.2 Å²	142.2	85%	0.853	71%	0.711	S	S	*	*			trans	-76.9	86.6	174.4	-75.6	-166.1	174.6	-166.1	-1.5	110.7	S493 I497	S493-R495 PolarHBondContact O-N 3.29Å; R495-I497 WeakPolarHBondContact O-CG1 3.25Å; R495-I497 PolarHBondContact O-N 3.32Å
496	D	35.3	Very low	40	Very low	133 Å²	133	145.9 Å²	145.9	71%	0.711	73%	0.731	S	S	*	*			trans	-43.1	119.9	164.7	-167.7	-24.3	0	0	0	111.2	S494 S498	S494-D496 VanDerWaalsContact C-N 3.32Å; S494-D496 PolarHBondContact O-N 3.29Å; D496-S498 VanDerWaalsContact CG-OG 3.25Å; D496-S498 VanDerWaalsContact OD1-CB 3.25Å; D496-S498 WeakPolarHBondContact OD1-CB 3.44Å; D496-S498 PolarHBondContact OD1-N 2.61Å; D496-S498 PolarHBondContact OD1-OG 3.4Å
497	I	39.1	Very low	39.8	Very low	167 Å²	167	151.3 Å²	151.3	86%	0.856	75%	0.75	S	S	*	*			trans	-103.8	77.1	176	-52.2	-175.9	0	0	0	108.1	R495	R495-I497 WeakPolarHBondContact O-CG1 3.25Å; R495-I497 PolarHBondContact O-N 3.32Å
498	S	36.2	Very low	39	Very low	83 Å²	83	154.8 Å²	154.8	58%	0.58	75%	0.753	S	S	*	*			trans	-126.6	71.5	176.6	50.2	0	0	0	0	111.9	D496	D496-S498 VanDerWaalsContact CG-OG 3.25Å; D496-S498 VanDerWaalsContact OD1-CB 3.25Å; D496-S498 WeakPolarHBondContact OD1-CB 3.44Å; D496-S498 PolarHBondContact OD1-N 2.61Å; D496-S498 PolarHBondContact OD1-OG 3.4Å
499	R	33.1	Very low	38.9	Very low	319 Å²	319	155.9 Å²	155.9	100%	1.204	75%	0.752	S	S	*	*			trans	-160.8	0	163.9	-108.3	160.6	-158.5	-117.5	0.8	111.7

Retrieved 499 of 499 residues in 361.8 ms (Link to these results)

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