A0A087Y980_POEFO Loading...

ATP-binding cassette sub-family B member 10, mitochondrial

ATP-dependent transporter located in the mitochondrial inner membrane that catalyzes the export of biliverdin from the mitochondrial matrix, and plays a crucial role in hemoglobin synthesis and antioxidative stress. Participates in the early step of the heme biosynthetic process during insertion of iron into protoporphyrin IX (PPIX). Involved in the stabilization of the iron transporter mitoferrin-1/SLC25A37. In addition may be involved in mitochondrial unfolded protein response (UPRmt) signaling pathway, although ABCB10 probably does not participate in peptide export from mitochondria.

AlphaFold DB , UniProt , Accession A0A087Y980, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 706 aa.

Structure Viewer

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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	27.6	Very low	219 Å²	219	180 Å²	180	100%	1.079	83%	0.827	S	S	*	*				0	110	0	162.2	-178.6	159.7	0	0	107.9
2	R	24.2	Very low	27.5	Very low	222 Å²	222	177.3 Å²	177.3	84%	0.838	82%	0.822	S	S	*	*			trans	60	153.1	-175.5	-59.6	-179.8	177.8	174.1	-0.5	113.3
3	L	26.3	Very low	27.4	Very low	135 Å²	135	174.5 Å²	174.5	71%	0.707	82%	0.817	S	S	*	*			cis	-147.2	154.6	-16.6	-140.1	74.4	0	0	0	104.4
4	L	26.5	Very low	27.5	Very low	136 Å²	136	176.4 Å²	176.4	71%	0.712	82%	0.821	S	S	*	*			cis	-124.9	167.7	5	-59.8	91	0	0	0	107.7
5	I	34.3	Very low	27.5	Very low	161 Å²	161	175 Å²	175	83%	0.826	82%	0.82	S	S	*	*			cis	60.8	63.2	-3.6	-40.6	-176.6	0	0	0	116.8
6	R	26	Very low	27.5	Very low	219 Å²	219	174.9 Å²	174.9	83%	0.826	82%	0.816	S	S	*	*			trans	-170.4	143	133.9	-110.5	174.2	176.4	177	-2	111
7	M	26.8	Very low	27.5	Very low	180 Å²	180	173.9 Å²	173.9	89%	0.887	82%	0.817	S	S	*	*			trans	65.5	137.6	178.6	-56.3	165.2	75.4	0	0	114.1
8	N	25.9	Very low	27.5	Very low	138 Å²	138	169 Å²	169	74%	0.738	81%	0.811	S	S	*	*			cis	-127	128.7	4.6	-155	0.1	0	0	0	112.7
9	R	25.8	Very low	27.4	Very low	239 Å²	239	170.6 Å²	170.6	90%	0.902	82%	0.817	S	S	*	*			trans	-109.8	116.3	169	-111.6	-170.1	177.4	-176.4	0.1	106.6
10	M	26.8	Very low	27.4	Very low	154 Å²	154	167 Å²	167	76%	0.759	81%	0.811	S	S	*	*			trans	-162.9	153.4	152.7	-116.5	171.2	-75.9	0	0	110.9
11	H	29.4	Very low	27.6	Very low	177 Å²	177	170.3 Å²	170.3	82%	0.819	82%	0.815	S	S	*	*			trans	54.4	90.2	-173.1	-56.7	-71.2	0	0	0	114.4
12	L	27.1	Very low	27.5	Very low	147 Å²	147	166.4 Å²	166.4	77%	0.77	80%	0.798	S	S	*	*			cis	79.4	99	17.9	-148.9	116.8	0	0	0	116.7
13	N	26.3	Very low	27.6	Very low	141 Å²	141	163 Å²	163	75%	0.754	80%	0.795	S	S	*	*			trans	60.4	114.5	145	-63	-7.2	0	0	0	122.9
14	K	28.3	Very low	27.5	Very low	202 Å²	202	161.1 Å²	161.1	88%	0.878	79%	0.792	S	S	*	*			trans	172.3	134.4	140.1	-95.2	166.8	-176.7	-178.8	0	107.3
15	L	27.1	Very low	27.6	Very low	155 Å²	155	161.7 Å²	161.7	81%	0.812	80%	0.795	S	S	*	*			cis	-124.3	168.2	-22.6	-113.3	65.9	0	0	0	105.3
16	K	27.7	Very low	27.2	Very low	173 Å²	173	162.4 Å²	162.4	75%	0.752	80%	0.795	S	S	*	*			cis	78	107.7	17.5	-149	-170.2	-175.1	-172.9	0	117.4
17	L	28.4	Very low	27.3	Very low	158 Å²	158	160.2 Å²	160.2	83%	0.827	79%	0.794	S	S	*	*			trans	72.5	143.4	171.4	-68.9	152.2	0	0	0	115.8
18	A	26.4	Very low	27.2	Very low	86 Å²	86	162.6 Å²	162.6	71%	0.711	79%	0.793	S	S	*	*			cis	-149.9	157.3	-6.6	0	0	0	0	0	111.4
19	Q	25.3	Very low	27.3	Very low	199 Å²	199	160.1 Å²	160.1	93%	0.93	79%	0.792	S	S	*	*			trans	-153.4	131.3	165.6	-156	173.5	17.6	0	0	110
20	S	29.1	Very low	27.4	Very low	99 Å²	99	155.5 Å²	155.5	69%	0.692	78%	0.784	S	S	*	*			trans	-162.4	118.5	-173	56.3	0	0	0	0	114.3
21	R	30.4	Very low	27.4	Very low	237 Å²	237	156.1 Å²	156.1	89%	0.894	79%	0.789	S	S	*	*			trans	65.7	154.7	155.2	-60	-175.6	171.3	-166.4	-2.3	115.7
22	L	28.4	Very low	27.2	Very low	137 Å²	137	153.2 Å²	153.2	72%	0.717	79%	0.789	S	S	*	*			cis	-150.3	-167.3	-8.3	-145.1	72.7	0	0	0	110.4
23	L	26.8	Very low	27.3	Very low	149 Å²	149	150.6 Å²	150.6	78%	0.78	79%	0.788	S	S	*	*			trans	-31.9	169.8	162.9	-85.5	77.8	0	0	0	117.3
24	C	24.6	Very low	27.5	Very low	96 Å²	96	148.6 Å²	148.6	65%	0.649	79%	0.785	S	S	*	*			cis	173.4	175.2	-22	-166.2	0	0	0	0	107.6
25	L	28.1	Very low	27.4	Very low	148 Å²	148	147.8 Å²	147.8	78%	0.775	78%	0.784	S	S	*	*			trans	68.7	158.4	169	-57	157.4	0	0	0	114.6
26	E	25.9	Very low	27.6	Very low	177 Å²	177	151.9 Å²	151.9	83%	0.827	79%	0.789	S	S	*	*			cis	-140.3	-155.7	-0.9	-143.8	173.7	173.4	0	0	113.6
27	H	28.2	Very low	27.5	Very low	173 Å²	173	147.3 Å²	147.3	80%	0.801	79%	0.791	S	S	*	*			trans	-126.2	171.4	-151.4	-137.8	-83.8	0	0	0	113.5
28	R	26.2	Very low	27.6	Very low	230 Å²	230	149 Å²	149	87%	0.868	79%	0.792	S	S	*	*			trans	84.5	155.4	171.3	-57.8	176	168.1	172.6	-3.3	116.7
29	A	27.1	Very low	27.7	Very low	86 Å²	86	154.7 Å²	154.7	71%	0.711	79%	0.794	S	S	*	*			cis	153.7	172.3	-37.1	0	0	0	0	0	110.9
30	I	27.1	Very low	27.8	Very low	142 Å²	142	152.6 Å²	152.6	73%	0.728	79%	0.785	S	S	*	*			trans	94.1	111	158.8	-61	174.5	0	0	0	118.8
31	L	27.7	Very low	27.7	Very low	166 Å²	166	152.6 Å²	152.6	87%	0.869	79%	0.785	S	S	*	*			trans	58.5	161.1	147.5	-66.2	172.2	0	0	0	119.3
32	S	25.8	Very low	27.5	Very low	117 Å²	117	146.3 Å²	146.3	82%	0.818	78%	0.784	S	S	*	*			cis	-138	-164.9	20.8	67.3	0	0	0	0	114.5
33	A	29.1	Very low	27.4	Very low	91 Å²	91	143 Å²	143	75%	0.752	78%	0.783	S	S	*	*			trans	-150.4	171.6	-166.9	0	0	0	0	0	114.5
34	S	28.9	Very low	27.4	Very low	100 Å²	100	142.9 Å²	142.9	70%	0.699	78%	0.782	S	S	*	*			trans	74.9	122.7	161.3	-170.6	0	0	0	0	119.3
35	H	27.4	Very low	27.5	Very low	185 Å²	185	146.6 Å²	146.6	86%	0.856	79%	0.787	S	S	*	*				-161.5	162.1	109.3	-122.2	-93.1	0	0	0	115.3
36	R	30.3	Very low	27.3	Very low	241 Å²	241	145.1 Å²	145.1	91%	0.909	79%	0.785	S	S	*	*			trans	-94	150.6	175.8	-77.9	172.5	161.7	168.5	-6.1	112.5
37	G	25.6	Very low	27.3	Very low	77 Å²	77	141.9 Å²	141.9	79%	0.794	78%	0.782	S	S	*	*			trans	-137.5	169.2	166	0	0	0	0	0	112.3
38	K	31.3	Very low	27.3	Very low	194 Å²	194	138.3 Å²	138.3	84%	0.843	78%	0.782	S	S	*	*			trans	-152.8	156.4	-168.1	-119.1	-177.8	-176.8	179	0	113.6
39	R	27.8	Very low	27.3	Very low	204 Å²	204	133 Å²	133	77%	0.77	78%	0.779	S	S	*	*			trans	75.1	128.5	157.1	-74.4	-173.9	159.3	169.5	-4.2	117.2
40	Q	27.9	Very low	27.7	Very low	156 Å²	156	134.8 Å²	134.8	73%	0.729	78%	0.783	S	S	*	*				71.6	146.6	91.7	-66.8	-179.5	-74.2	0	0	114.5
41	S	26.9	Very low	28.8	Very low	98 Å²	98	133.5 Å²	133.5	69%	0.685	78%	0.784	S	S	*	*			cis	-177.8	158.5	-13.8	51	0	0	0	0	111.1
42	A	27.2	Very low	29.5	Very low	106 Å²	106	131.1 Å²	131.1	88%	0.876	78%	0.778	S	S	*	*			trans	62.4	168	177	0	0	0	0	0	114.2
43	G	25.2	Very low	29.5	Very low	68 Å²	68	130.4 Å²	130.4	70%	0.701	77%	0.773	S	S	*	*			cis	-175.7	164	-4.3	0	0	0	0	0	106
44	L	26.6	Very low	30.1	Very low	146 Å²	146	131.7 Å²	131.7	76%	0.764	77%	0.774	S	S	*	*			cis	-168	178	30.1	-135.3	69.3	0	0	0	108.8
45	K	26.5	Very low	29.9	Very low	173 Å²	173	130.7 Å²	130.7	75%	0.752	77%	0.772	S	S	*	*			trans	11.5	146.1	140.1	-65.5	178.5	-170.7	179.2	0	119.9
46	T	25.8	Very low	29.8	Very low	118 Å²	118	130 Å²	130	72%	0.724	77%	0.773	S	S	*	*			cis	-171.3	157.6	12.1	9.7	0	0	0	0	114.5
47	S	26	Very low	29.5	Very low	109 Å²	109	123.3 Å²	123.3	76%	0.762	76%	0.764	S	S	*	*			trans	72.6	152.6	135.8	68.2	0	0	0	0	124.6
48	A	26.4	Very low	29.4	Very low	97 Å²	97	125.4 Å²	125.4	80%	0.802	76%	0.761	S	S	*	*			trans	85.3	111.1	152.4	0	0	0	0	0	120.1
49	C	26.8	Very low	29.1	Very low	120 Å²	120	124.2 Å²	124.2	81%	0.811	76%	0.763	S	S	*	*			trans	-78.4	159.3	146.4	-57.7	0	0	0	0	108.9
50	P	36.6	Very low	28.9	Very low	122 Å²	122	119.2 Å²	119.2	79%	0.792	76%	0.759	S	S	*	*				-140.4	172.6	84.5	20.9	2.3	0	0	0	115.8
51	P	48.6	Very low	28.6	Very low	115 Å²	115	117.7 Å²	117.7	75%	0.747	76%	0.764	S	S	*	*			trans	-80.9	-174.6	170.8	39.1	-39.6	0	0	0	111.7
52	P	42.4	Very low	28.5	Very low	116 Å²	116	118.9 Å²	118.9	75%	0.753	77%	0.773	S	S	*	*			cis	-145	-175.7	19.8	43.8	-22.3	0	0	0	119.5
53	S	26.4	Very low	28.3	Very low	103 Å²	103	116.9 Å²	116.9	72%	0.72	76%	0.762	S	S	*	*			trans	-61	173.3	160.5	55.9	0	0	0	0	113.5
54	P	42.4	Very low	28.2	Very low	118 Å²	118	123.6 Å²	123.6	77%	0.766	77%	0.773	S	S	*	*			cis	-149.2	-140.8	29.6	45	-21.7	0	0	0	115.4
55	A	24.6	Very low	28.1	Very low	79 Å²	79	121.8 Å²	121.8	65%	0.653	77%	0.768	S	S	*	*			trans	80.5	116.4	174.4	0	0	0	0	0	115.3
56	L	24.3	Very low	28	Very low	169 Å²	169	119.6 Å²	119.6	89%	0.885	77%	0.774	S	S	*	*				68.3	135.2	82.4	-68.2	160.3	0	0	0	112.3
57	S	24.2	Very low	27.8	Very low	102 Å²	102	117.4 Å²	117.4	71%	0.713	78%	0.775	S	S	*	*			cis	-154.6	153.5	20.4	55.2	0	0	0	0	114.8
58	V	24.2	Very low	27.7	Very low	120 Å²	120	120.2 Å²	120.2	73%	0.727	78%	0.781	S	S	*	*			trans	17.3	125.3	133.4	-173.7	0	0	0	0	118.5
59	L	25.3	Very low	27.6	Very low	170 Å²	170	121 Å²	121	89%	0.89	78%	0.78	S	S	*	*			trans	-155.7	120	134.5	-118.4	166.7	0	0	0	111.3
60	S	22.6	Very low	27.4	Very low	99 Å²	99	120.5 Å²	120.5	69%	0.692	78%	0.778	S	S	*	*			trans	-114.5	132.3	177.1	55.8	0	0	0	0	110.4
61	C	22.7	Very low	26.9	Very low	123 Å²	123	123 Å²	123	83%	0.831	78%	0.784	S	S	*	*			trans	-142.6	112.8	162.9	-93.7	0	0	0	0	111.2
62	S	24.9	Very low	25.7	Very low	123 Å²	123	128.7 Å²	128.7	86%	0.86	79%	0.791	S	S	*	*			trans	-61.2	151.8	143.6	47.2	0	0	0	0	109.4
63	G	22.9	Very low	24.8	Very low	64 Å²	64	126.7 Å²	126.7	66%	0.66	79%	0.791	S	S	*	*			cis	135.5	136.4	7.1	0	0	0	0	0	109.2
64	F	22.4	Very low	24.6	Very low	210 Å²	210	133.6 Å²	133.6	92%	0.921	80%	0.801	S	S	*	*			trans	-149.9	175.2	175.9	-122.7	-87	0	0	0	112.5
65	T	24.1	Very low	23.7	Very low	108 Å²	108	134.9 Å²	134.9	66%	0.663	81%	0.807	S	S	*	*			trans	-114.9	160.8	-145.4	54.5	0	0	0	0	117
66	S	24.8	Very low	23.8	Very low	126 Å²	126	136.9 Å²	136.9	88%	0.881	81%	0.811	S	S	*	*			trans	83.7	150.7	150.3	83.1	0	0	0	0	118.6
67	G	22.3	Very low	23.7	Very low	73 Å²	73	133.2 Å²	133.2	75%	0.753	81%	0.805	S	S	*	*			trans	139.1	109.1	179.5	0	0	0	0	0	113.2
68	L	23.3	Very low	23.7	Very low	168 Å²	168	136.7 Å²	136.7	88%	0.88	81%	0.81	S	S	*	*			trans	-79.5	144.7	175.1	-72.9	74.5	0	0	0	110.9
69	S	23.5	Very low	23.6	Very low	112 Å²	112	137 Å²	137	78%	0.783	81%	0.812	S	S	*	*				163.8	146.8	102.8	54.7	0	0	0	0	115.4
70	S	23.3	Very low	23.5	Very low	111 Å²	111	134.9 Å²	134.9	78%	0.776	81%	0.808	S	S	*	*			trans	11.7	108.6	149.8	167.5	0	0	0	0	119.1
71	L	25.2	Very low	23.6	Very low	175 Å²	175	135.9 Å²	135.9	92%	0.916	81%	0.81	S	S	*	*			trans	-125.7	101	148.1	-103.2	172.2	0	0	0	112.9
72	R	24.4	Very low	23.5	Very low	234 Å²	234	134.6 Å²	134.6	88%	0.883	81%	0.808	S	S	*	*			trans	-43.2	126.8	173.9	-161.2	177.4	-164.5	161.7	1.9	112.9
73	G	22.9	Very low	23.4	Very low	73 Å²	73	137.6 Å²	137.6	75%	0.753	81%	0.806	S	S	*	*			trans	-65.6	153	-177.5	0	0	0	0	0	114.8
74	R	23.4	Very low	23.3	Very low	249 Å²	249	139.3 Å²	139.3	94%	0.94	81%	0.814	S	S	*	*			trans	-104.7	118.1	168.3	-93.3	179.8	162.3	164.7	-5.2	109.9	V76	R74-V76 PolarHBondContact O-N 2.97Å
75	T	23.4	Very low	23.4	Very low	144 Å²	144	134.1 Å²	134.1	88%	0.883	80%	0.804	S	S	*	*			trans	-69	122.9	171.4	47.4	0	0	0	0	110.8
76	V	25.1	Very low	23.3	Very low	121 Å²	121	134.2 Å²	134.2	73%	0.733	81%	0.809	S	S	*	*			trans	-88	128.3	162.4	178.2	0	0	0	0	107.8	R74 H78	R74-V76 PolarHBondContact O-N 2.97Å; V76-H78 PolarHBondContact O-N 3.05Å
77	A	22.3	Very low	23.4	Very low	92 Å²	92	133.1 Å²	133.1	76%	0.76	80%	0.801	S	S	*	*			trans	-77.3	114	-179.7	0	0	0	0	0	110.5	T79	A77-T79 PolarHBondContact O-N 3.21Å
78	H	24.5	Very low	23.6	Very low	176 Å²	176	133.9 Å²	133.9	82%	0.815	80%	0.8	S	S	*	*			trans	-80.2	106.3	170.9	-73.7	-85	0	0	0	110.2	V76 P80	V76-H78 PolarHBondContact O-N 3.05Å; H78-P80 WeakPolarHBondContact O-CD 3.39Å
79	T	22.2	Very low	23.8	Very low	126 Å²	126	130.6 Å²	130.6	77%	0.773	80%	0.797	S	S	*	*			trans	-72.8	120.2	160.7	29.2	0	0	0	0	109.3	A77 V81	A77-T79 PolarHBondContact O-N 3.21Å; T79-V81 PolarHBondContact O-N 3.43Å
80	P	24.1	Very low	24	Very low	125 Å²	125	129.9 Å²	129.9	81%	0.812	79%	0.792	S	S	*	*			trans	-75.5	112.3	178.9	29.4	-32.9	0	0	0	110.5	H78 A82	H78-P80 WeakPolarHBondContact O-CD 3.39Å; P80-A82 PolarHBondContact O-N 3.1Å
81	V	23.3	Very low	24.1	Very low	121 Å²	121	131 Å²	131	73%	0.733	79%	0.794	S	S	*	*			trans	-76.7	106.6	167.6	178.5	0	0	0	0	108.2	T79 F83	T79-V81 PolarHBondContact O-N 3.43Å; V81-F83 HydrophobicContact CG1-CE2 4.48Å; V81-F83 PolarHBondContact O-N 3.29Å; V81-F83 VanDerWaalsContact O-N 3.11Å
82	A	20.6	Very low	24.1	Very low	95 Å²	95	126.4 Å²	126.4	79%	0.785	78%	0.775	S	S	*	*			trans	-71.2	102.9	-178.8	0	0	0	0	0	111.4	P80 A84	P80-A82 PolarHBondContact O-N 3.1Å; A82-A84 PolarHBondContact O-N 2.94Å
83	F	22.9	Very low	24.1	Very low	187 Å²	187	120.3 Å²	120.3	82%	0.82	78%	0.775	S	S	*	*			trans	-73.9	100.2	168.8	-90.6	-94.1	0	0	0	110.3	V81 S85	V81-F83 HydrophobicContact CG1-CE2 4.48Å; V81-F83 PolarHBondContact O-N 3.29Å; V81-F83 VanDerWaalsContact O-N 3.11Å; F83-S85 PolarHBondContact O-N 3.5Å; F83-S85 VanDerWaalsContact O-N 3.08Å
84	A	21.7	Very low	24.3	Very low	100 Å²	100	126.2 Å²	126.2	83%	0.826	78%	0.783	S	S	*	*			trans	-77.5	85.2	170.2	0	0	0	0	0	110.4	A82 S86	A82-A84 PolarHBondContact O-N 2.94Å; A84-S86 PolarHBondContact O-N 2.86Å
85	S	23.2	Very low	24.4	Very low	101 Å²	101	120.1 Å²	120.1	71%	0.706	78%	0.778	S	S	*	*			trans	-72.5	87.6	179.6	43.5	0	0	0	0	112.3	F83 S87	F83-S85 PolarHBondContact O-N 3.5Å; F83-S85 VanDerWaalsContact O-N 3.08Å; S85-S87 PolarHBondContact O-N 2.93Å
86	S	23.4	Very low	24.5	Very low	110 Å²	110	117.6 Å²	117.6	77%	0.769	77%	0.772	S	S	*	*			trans	-74.7	56.6	168.9	179.4	0	0	0	0	112	A84 A88	A84-S86 PolarHBondContact O-N 2.86Å; S86-A88 PolarHBondContact O-N 3.42Å
87	S	25.7	Very low	24.7	Very low	103 Å²	103	122.5 Å²	122.5	72%	0.72	78%	0.784	S	S	*	*			trans	-72.2	94.7	176.1	52.1	0	0	0	0	110.8	S85	S85-S87 PolarHBondContact O-N 2.93Å
88	A	26.6	Very low	24.7	Very low	89 Å²	89	123.4 Å²	123.4	74%	0.736	79%	0.785	S	S	*	*			trans	-63.1	140.1	163.2	0	0	0	0	0	109.1	S86 S90	S86-A88 PolarHBondContact O-N 3.42Å; A88-S90 PolarHBondContact O-N 3.12Å
89	A	29	Very low	24.8	Very low	98 Å²	98	124.5 Å²	124.5	81%	0.81	79%	0.79	S	S	*	*			trans	-64.5	132	-171.8	0	0	0	0	0	112.6
90	S	26.8	Very low	25	Very low	98 Å²	98	127.3 Å²	127.3	69%	0.685	80%	0.797	S	S	*	*			trans	-136.4	116.1	162	56.2	0	0	0	0	108.8	A88	A88-S90 PolarHBondContact O-N 3.12Å
91	T	25.1	Very low	25	Very low	134 Å²	134	129 Å²	129	82%	0.822	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-65	141.7	172.7	10.9	0	0	0	0	110.4	A93	T91-A93 PolarHBondContact O-N 2.8Å
92	P	26.4	Very low	25.3	Very low	78 Å²	78	127 Å²	127	51%	0.506	80%	0.803	S	S	.	*	P	Polyproline II helix	trans	-70.1	122	175.4	28.8	-32.8	0	0	0	109.8
93	A	23.8	Very low	25.5	Very low	107 Å²	107	131.7 Å²	131.7	88%	0.884	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-89.6	118.9	169.8	0	0	0	0	0	109.5	T91	T91-A93 PolarHBondContact O-N 2.8Å
94	E	25.9	Very low	25.7	Very low	196 Å²	196	128 Å²	128	92%	0.916	81%	0.806	S	S	*	*			trans	-130	150.2	169.9	-165.5	161.3	-130.4	0	0	109.7
95	S	26.4	Very low	26.1	Very low	121 Å²	121	132.4 Å²	132.4	85%	0.846	81%	0.809	S	S	*	*			trans	-91.9	115.8	-156.5	56.7	0	0	0	0	114.3
96	A	24.6	Very low	26.4	Very low	92 Å²	92	138.5 Å²	138.5	76%	0.76	82%	0.817	S	S	*	*			trans	-126.6	130.1	157.2	0	0	0	0	0	109.6
97	K	29.6	Very low	26.8	Very low	223 Å²	223	139.4 Å²	139.4	97%	0.97	82%	0.818	S	S	*	*			trans	-91.1	104.5	171.7	-83.2	-175.8	174.3	-179.4	0	109.5
98	S	22.6	Very low	27.1	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	81%	0.811	S	S	*	*			trans	-139.3	145.9	158.2	49.6	0	0	0	0	108.8
99	Q	27.7	Very low	27.8	Very low	198 Å²	198	141.7 Å²	141.7	93%	0.925	82%	0.82	S	S	*	*			trans	-93.6	118.5	178.7	-68.6	171	-95.5	0	0	109.3
100	M	25.1	Very low	28.8	Very low	186 Å²	186	142.1 Å²	142.1	92%	0.916	81%	0.813	S	S	*	*			trans	-157	160.6	154.1	-118	174.5	174.2	0	0	109.9
101	D	25.1	Very low	30.3	Very low	161 Å²	161	140 Å²	140	86%	0.861	80%	0.796	S	S	*	*			trans	-72.5	150.8	-156.5	-62.5	-79.9	0	0	0	115.4
102	G	30.1	Very low	32.2	Very low	78 Å²	78	135.7 Å²	135.7	80%	0.804	77%	0.77	S	S	*	*			trans	-100	113.2	-164.7	0	0	0	0	0	115
103	E	23.3	Very low	34.3	Very low	193 Å²	193	139.1 Å²	139.1	90%	0.902	78%	0.783	S	S	*	*			trans	-100	99.4	149.6	-72.5	-152.1	122.6	0	0	110.2	Q105	E103-Q105 PolarHBondContact O-N 3.11Å
104	S	28.6	Very low	36.7	Very low	111 Å²	111	138.7 Å²	138.7	78%	0.776	77%	0.766	S	S	*	*			trans	-70.5	110.2	168.5	-176.9	0	0	0	0	108.8	R106	S104-R106 PolarHBondContact O-N 2.82Å
105	Q	29.8	Very low	39.1	Very low	191 Å²	191	130 Å²	130	89%	0.893	73%	0.726	S	S	*	*			trans	-54.9	99.2	176.9	-75.4	-174.6	-17	0	0	110.9	E103 T107	E103-Q105 PolarHBondContact O-N 3.11Å; Q105-T107 PolarHBondContact O-N 2.86Å
106	R	29.2	Very low	41.5	Very low	229 Å²	229	126.6 Å²	126.6	86%	0.864	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-75.2	117.3	169	-65.4	178.8	-179.5	174.9	1.2	107.4	S104 P108	S104-R106 PolarHBondContact O-N 2.82Å; R106-P108 WeakPolarHBondContact O-CD 3.18Å
107	T	31.3	Very low	44.2	Very low	129 Å²	129	129.2 Å²	129.2	79%	0.791	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-57.2	121.3	164.9	35.8	0	0	0	0	108.4	Q105 T109	Q105-T107 PolarHBondContact O-N 2.86Å; T107-T109 PolarHBondContact O-N 2.99Å; T107-T109 VanDerWaalsContact O-N 3.16Å
108	P	31.4	Very low	46.6	Very low	89 Å²	89	122.6 Å²	122.6	58%	0.578	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-66	119.9	-173.8	24.3	-32.7	0	0	0	109.9	R106 T110	R106-P108 WeakPolarHBondContact O-CD 3.18Å; P108-T110 PolarHBondContact O-N 2.97Å; P108-T110 VanDerWaalsContact O-N 3.15Å
109	T	41.7	Very low	49.3	Very low	152 Å²	152	118.3 Å²	118.3	93%	0.933	63%	0.631	S	S	*	*	S	Bend	trans	-73.2	-0.4	179.8	-7.6	0	0	0	0	113.6	T107	T107-T109 PolarHBondContact O-N 2.99Å; T107-T109 VanDerWaalsContact O-N 3.16Å
110	T	50.4	Low	51.8	Low	107 Å²	107	114.2 Å²	114.2	66%	0.656	62%	0.615	S	S	*	*	S	Bend	trans	-111.9	129.3	179	50.1	0	0	0	0	109.3	P108 P112	P108-T110 PolarHBondContact O-N 2.97Å; P108-T110 VanDerWaalsContact O-N 3.15Å; T110-P112 WeakPolarHBondContact O-CD 3.42Å
111	V	57.5	Low	54.6	Low	53 Å²	53	108.5 Å²	108.5	32%	0.321	60%	0.597	S	S	.	*			trans	-58.9	122	172.1	-175.9	0	0	0	0	109.2	L113 V116 M417 F420	V111-L113 PolarHBondContact O-N 2.71Å; V111-V116 HydrophobicContact CG1-CG2 3.47Å; V111-V116 VanDerWaalsContact CG1-CG2 3.47Å; V111-M417 HydrophobicContact CG2-CE 3.67Å; V111-M417 HydrophobicContact CG2-SD 4.47Å; V111-F420 HydrophobicContact CB-CD2 4.44Å; V111-F420 HydrophobicContact CB-CE2 4.22Å; V111-F420 HydrophobicContact CB-CZ 4.48Å; V111-F420 HydrophobicContact CG1-CD1 3.86Å; V111-F420 HydrophobicContact CG1-CD2 3.88Å; V111-F420 HydrophobicContact CG1-CE1 3.55Å; V111-F420 HydrophobicContact CG1-CE2 3.55Å; V111-F420 HydrophobicContact CG1-CG 4.04Å; V111-F420 HydrophobicContact CG1-CZ 3.39Å; V111-F420 HydrophobicContact CG2-CD2 3.73Å; V111-F420 HydrophobicContact CG2-CE2 3.54Å; V111-F420 HydrophobicContact CG2-CZ 4.24Å
112	P	65.5	Low	57.3	Low	43 Å²	43	102.2 Å²	102.2	28%	0.279	56%	0.564	S	S	.	*			trans	-64	128.7	174.1	-19.6	32.3	0	0	0	109.9	T110 D114 D115 V116	T110-P112 WeakPolarHBondContact O-CD 3.42Å; P112-D114 PolarHBondContact O-N 3.11Å; P112-D115 HydrophobicContact CB-CB 3.98Å; P112-D115 HydrophobicContact CG-CB 4.21Å; P112-D115 WeakPolarHBondContact O-CB 3.35Å; P112-D115 PolarHBondContact O-N 3.38Å; P112-V116 PolarHBondContact O-N 3.42Å
113	L	70.3	Confident	59.9	Low	150 Å²	150	99.1 Å²	99.1	79%	0.785	53%	0.53	S	S	*	.	H	α-helix	trans	-60.3	-31.3	177.5	-72.5	168.7	0	0	0	111.5	V111 V116 K117	V111-L113 PolarHBondContact O-N 2.71Å; L113-V116 PolarHBondContact O-N 3.19Å; L113-K117 WeakPolarHBondContact O-CB 3.48Å; L113-K117 PolarHBondContact O-N 3.36Å
114	D	75.8	Confident	62.9	Low	98 Å²	98	96.4 Å²	96.4	52%	0.524	51%	0.513	S	S	.	.	H	α-helix	trans	-70.1	-33.8	173.8	-63.9	-63.5	0	0	0	113.3	P112 V116 K117 R118	P112-D114 PolarHBondContact O-N 3.11Å; D114-V116 VanDerWaalsContact C-N 3.35Å; D114-K117 PolarHBondContact O-N 2.89Å; D114-R118 WeakPolarHBondContact O-CB 3.44Å; D114-R118 VanDerWaalsContact O-CD 3.31Å; D114-R118 WeakPolarHBondContact O-CD 3.48Å; D114-R118 WeakPolarHBondContact O-CG 3.2Å; D114-R118 PolarHBondContact O-N 2.99Å
115	D	74.8	Confident	65.8	Low	13 Å²	13	95 Å²	95	7%	0.07	50%	0.501	C	S	.	.	H	α-helix	trans	-64.2	-41.7	173.5	-80.7	17.6	0	0	0	110.4	P112 R118 I119 T424 W427	P112-D115 HydrophobicContact CB-CB 3.98Å; P112-D115 HydrophobicContact CG-CB 4.21Å; P112-D115 WeakPolarHBondContact O-CB 3.35Å; P112-D115 PolarHBondContact O-N 3.38Å; D115-R118 PolarHBondContact O-N 3.17Å; D115-I119 VanDerWaalsContact O-CB 3.27Å; D115-I119 WeakPolarHBondContact O-CB 3.45Å; D115-I119 WeakPolarHBondContact O-CD1 3.31Å; D115-I119 VanDerWaalsContact O-CG1 3.29Å; D115-I119 WeakPolarHBondContact O-CG1 3.42Å; D115-I119 PolarHBondContact O-N 2.89Å; D115-T424 PolarHBondContact OD2-OG1 3.34Å; D115-W427 VanDerWaalsContact OD1-CD1 3.26Å
116	V	76.3	Confident	68.8	Low	51 Å²	51	86.7 Å²	86.7	31%	0.309	46%	0.462	S	S	.	.	H	α-helix	trans	-62.6	-42.6	173.2	-175.5	0	0	0	0	111	V111 P112 L113 D114 I119 L120 F420	V111-V116 HydrophobicContact CG1-CG2 3.47Å; V111-V116 VanDerWaalsContact CG1-CG2 3.47Å; P112-V116 PolarHBondContact O-N 3.42Å; L113-V116 PolarHBondContact O-N 3.19Å; D114-V116 VanDerWaalsContact C-N 3.35Å; V116-I119 WeakPolarHBondContact O-CB 3.49Å; V116-I119 PolarHBondContact O-N 2.92Å; V116-L120 HydrophobicContact CG1-CD1 4.1Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.48Å; V116-F420 HydrophobicContact CG2-CE1 3.99Å; V116-F420 HydrophobicContact CG2-CZ 4.1Å
117	K	82.1	Confident	71.7	Confident	146 Å²	146	81 Å²	81	64%	0.635	44%	0.441	S	S	*	.	H	α-helix	trans	-65.7	-40.5	179.3	-170.3	178.8	178	-175.3	0	112.3	L113 D114 L120 A121	L113-K117 WeakPolarHBondContact O-CB 3.48Å; L113-K117 PolarHBondContact O-N 3.36Å; D114-K117 PolarHBondContact O-N 2.89Å; K117-L120 PolarHBondContact O-N 3.14Å; K117-A121 PolarHBondContact O-N 3.03Å
118	R	80.9	Confident	74.7	Confident	84 Å²	84	83.9 Å²	83.9	32%	0.317	44%	0.437	S	S	.	.	H	α-helix	trans	-62.2	-47.3	171.7	-71.7	158.1	-178.7	-101.8	5.2	110.9	D114 D115 L120 A121 L122 W427 D431	D114-R118 WeakPolarHBondContact O-CB 3.44Å; D114-R118 VanDerWaalsContact O-CD 3.31Å; D114-R118 WeakPolarHBondContact O-CD 3.48Å; D114-R118 WeakPolarHBondContact O-CG 3.2Å; D114-R118 PolarHBondContact O-N 2.99Å; D115-R118 PolarHBondContact O-N 3.17Å; R118-L120 VanDerWaalsContact C-N 3.33Å; R118-L120 PolarHBondContact O-N 3.39Å; R118-A121 WeakPolarHBondContact O-CA 3.47Å; R118-A121 WeakPolarHBondContact O-CB 3.35Å; R118-A121 PolarHBondContact O-N 2.7Å; R118-L122 WeakPolarHBondContact O-CG 3.24Å; R118-L122 PolarHBondContact O-N 2.89Å; R118-W427 HydrophobicContact CB-CZ2 4.34Å; R118-D431 IonicContact CZ-OD1 3.74Å; R118-D431 IonicContact CZ-OD2 2.78Å; R118-D431 VanDerWaalsContact NH1-CG 3.26Å; R118-D431 IonicContact NH1-OD1 2.85Å; R118-D431 PolarHBondContact NH1-OD1 3.5Å; R118-D431 IonicContact NH1-OD2 3.23Å; R118-D431 PolarHBondContact NH1-OD2 2.94Å; R118-D431 IonicContact NH2-OD1 3.76Å; R118-D431 IonicContact NH2-OD2 3.91Å; R118-D431 PolarHBondContact NH2-OD2 3.41Å
119	I	78.9	Confident	77.6	Confident	22 Å²	22	85.1 Å²	85.1	11%	0.113	43%	0.43	C	S	.	.	H	α-helix	trans	-57.1	-44.3	175.9	-82.1	165.8	0	0	0	111.9	D115 V116 A121 L122 A123 I247 F420 W427	D115-I119 VanDerWaalsContact O-CB 3.27Å; D115-I119 WeakPolarHBondContact O-CB 3.45Å; D115-I119 WeakPolarHBondContact O-CD1 3.31Å; D115-I119 VanDerWaalsContact O-CG1 3.29Å; D115-I119 WeakPolarHBondContact O-CG1 3.42Å; D115-I119 PolarHBondContact O-N 2.89Å; V116-I119 WeakPolarHBondContact O-CB 3.49Å; V116-I119 PolarHBondContact O-N 2.92Å; I119-A121 VanDerWaalsContact C-N 3.33Å; I119-A121 PolarHBondContact O-N 2.97Å; I119-L122 HydrophobicContact CG1-CD1 4.47Å; I119-L122 WeakPolarHBondContact O-CB 3.3Å; I119-L122 PolarHBondContact O-N 2.78Å; I119-A123 PolarHBondContact O-N 3.15Å; I119-I247 HydrophobicContact CB-CD1 4.28Å; I119-I247 HydrophobicContact CG1-CD1 4.04Å; I119-I247 HydrophobicContact CG1-CG1 4.49Å; I119-I247 HydrophobicContact CG2-CD1 3.82Å; I119-I247 HydrophobicContact CG2-CG1 3.69Å; I119-I247 HydrophobicContact CG2-CG2 4.43Å; I119-F420 HydrophobicContact CD1-CD1 3.7Å; I119-F420 HydrophobicContact CD1-CE1 3.61Å; I119-W427 HydrophobicContact CG1-CZ2 4.42Å
120	L	79	Confident	80	Confident	112 Å²	112	79 Å²	79	59%	0.586	39%	0.392	S	S	*	.	H	α-helix	trans	-65.4	-34.6	174.8	-73.4	166.7	0	0	0	112.6	V116 K117 R118 A123 Y124	V116-L120 HydrophobicContact CG1-CD1 4.1Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.48Å; K117-L120 PolarHBondContact O-N 3.14Å; R118-L120 VanDerWaalsContact C-N 3.33Å; R118-L120 PolarHBondContact O-N 3.39Å; L120-A123 PolarHBondContact O-N 3.48Å; L120-Y124 PolarHBondContact O-N 3.01Å; L120-Y124 VanDerWaalsContact O-N 3.08Å
121	A	84.4	Confident	82	Confident	66 Å²	66	76.6 Å²	76.6	55%	0.545	38%	0.383	S	S	.	.	H	α-helix	trans	-66.8	-35.6	174.7	0	0	0	0	0	112.8	K117 R118 I119 A123 Y124	K117-A121 PolarHBondContact O-N 3.03Å; R118-A121 WeakPolarHBondContact O-CA 3.47Å; R118-A121 WeakPolarHBondContact O-CB 3.35Å; R118-A121 PolarHBondContact O-N 2.7Å; I119-A121 VanDerWaalsContact C-N 3.33Å; I119-A121 PolarHBondContact O-N 2.97Å; A121-A123 VanDerWaalsContact C-N 3.32Å; A121-Y124 WeakPolarHBondContact O-CB 3.5Å; A121-Y124 PolarHBondContact O-N 3.22Å
122	L	81.8	Confident	83.8	Confident	29 Å²	29	76.1 Å²	76.1	15%	0.152	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-36.2	172.6	-59.1	161.4	0	0	0	112.4	R118 I119 Y124 P125 I204 L208 M211 V243 I247 W427	R118-L122 WeakPolarHBondContact O-CG 3.24Å; R118-L122 PolarHBondContact O-N 2.89Å; I119-L122 HydrophobicContact CG1-CD1 4.47Å; I119-L122 WeakPolarHBondContact O-CB 3.3Å; I119-L122 PolarHBondContact O-N 2.78Å; L122-Y124 VanDerWaalsContact C-N 3.34Å; L122-P125 VanDerWaalsContact O-CD 3.32Å; L122-P125 WeakPolarHBondContact O-CD 3.33Å; L122-I204 HydrophobicContact CB-CG2 4.4Å; L122-L208 HydrophobicContact CD1-CD2 4.22Å; L122-L208 HydrophobicContact CD2-CD2 3.71Å; L122-L208 HydrophobicContact CD2-CG 4.26Å; L122-M211 HydrophobicContact CD2-CE 3.94Å; L122-V243 HydrophobicContact CD1-CG1 4.4Å; L122-I247 HydrophobicContact CD1-CD1 3.99Å; L122-W427 HydrophobicContact CD1-CH2 3.49Å; L122-W427 VanDerWaalsContact CD1-CH2 3.49Å; L122-W427 HydrophobicContact CD1-CZ2 3.9Å; L122-W427 HydrophobicContact CD2-CH2 4.24Å; L122-W427 HydrophobicContact CG-CH2 4.27Å
123	A	84.1	Confident	85.1	Confident	13 Å²	13	74 Å²	74	11%	0.107	37%	0.371	C	S	.	.	H	α-helix	trans	-76.6	-20.7	179	0	0	0	0	0	113	I119 L120 A121 E126 R127 L130 I247	I119-A123 PolarHBondContact O-N 3.15Å; L120-A123 PolarHBondContact O-N 3.48Å; A121-A123 VanDerWaalsContact C-N 3.32Å; A123-E126 CarbonylContact O-C 3.58Å; A123-E126 PolarHBondContact O-N 3.09Å; A123-E126 VanDerWaalsContact O-N 3.09Å; A123-R127 PolarHBondContact O-N 3.22Å; A123-R127 VanDerWaalsContact O-N 3.09Å; A123-L130 HydrophobicContact CB-CD1 3.85Å; A123-I247 HydrophobicContact CB-CG2 4.02Å
124	Y	87.9	Confident	86.2	Confident	136 Å²	136	69.4 Å²	69.4	53%	0.533	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-57.5	-39.2	-173.6	-174.1	-96.8	0	0	0	115.4	L120 A121 L122 E126 R127	L120-Y124 PolarHBondContact O-N 3.01Å; L120-Y124 VanDerWaalsContact O-N 3.08Å; A121-Y124 WeakPolarHBondContact O-CB 3.5Å; A121-Y124 PolarHBondContact O-N 3.22Å; L122-Y124 VanDerWaalsContact C-N 3.34Å; Y124-E126 VanDerWaalsContact C-N 3.31Å; Y124-E126 PolarHBondContact O-N 3.17Å; Y124-R127 VanDerWaalsContact CE2-NH1 3.29Å; Y124-R127 VanDerWaalsContact CZ-NH1 3.33Å; Y124-R127 VanDerWaalsContact O-CB 3.32Å; Y124-R127 WeakPolarHBondContact O-CB 3.45Å; Y124-R127 VanDerWaalsContact O-CD 3.26Å; Y124-R127 WeakPolarHBondContact O-CD 3.34Å; Y124-R127 WeakPolarHBondContact O-CG 3.41Å; Y124-R127 PolarHBondContact O-N 3.11Å; Y124-R127 PolarHBondContact OH-NH1 3.23Å; Y124-R127 VanDerWaalsContact OH-NH1 3.08Å; Y124-R127 PolarHBondContact OH-NH2 3.02Å
125	P	89.8	Confident	87.1	Confident	82 Å²	82	66.3 Å²	66.3	53%	0.532	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-61.9	-37.5	174.7	-23	35.2	0	0	0	112.9	L122	L122-P125 VanDerWaalsContact O-CD 3.32Å; L122-P125 WeakPolarHBondContact O-CD 3.33Å
126	E	91.5	Very high	88	Confident	17 Å²	17	69.7 Å²	69.7	8%	0.079	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-92.3	5.1	-176.8	-60.8	-55.5	136.6	0	0	113.3	A123 Y124 W128 R129 L130 Q203 I204	A123-E126 CarbonylContact O-C 3.58Å; A123-E126 PolarHBondContact O-N 3.09Å; A123-E126 VanDerWaalsContact O-N 3.09Å; Y124-E126 VanDerWaalsContact C-N 3.31Å; Y124-E126 PolarHBondContact O-N 3.17Å; E126-W128 PolarHBondContact O-N 2.86Å; E126-R129 PolarHBondContact O-N 3.21Å; E126-R129 IonicContact OE1-NH1 3.95Å; E126-R129 WeakPolarHBondContact OE2-CD 3.43Å; E126-R129 IonicContact OE2-CZ 3.86Å; E126-R129 IonicContact OE2-NE 2.77Å; E126-R129 IonicContact OE2-NH1 3.85Å; E126-R129 PolarHBondContact OE2-NH1 3.45Å; E126-L130 HydrophobicContact CB-CD1 4.33Å; E126-L130 HydrophobicContact CB-CG 4.37Å; E126-L130 PolarHBondContact O-N 3.38Å; E126-Q203 HydrophobicContact CG-CG 4Å; E126-Q203 WeakPolarHBondContact OE1-CG 3.18Å; E126-I204 HydrophobicContact CG-CG1 4.44Å
127	R	91.3	Very high	88.8	Confident	109 Å²	109	67.3 Å²	67.3	41%	0.411	34%	0.34	S	S	.	.	H	α-helix	trans	-48.4	-35.1	-173.8	67.4	-173.4	170.9	163	-6.6	114.7	A123 Y124 A131	A123-R127 PolarHBondContact O-N 3.22Å; A123-R127 VanDerWaalsContact O-N 3.09Å; Y124-R127 VanDerWaalsContact CE2-NH1 3.29Å; Y124-R127 VanDerWaalsContact CZ-NH1 3.33Å; Y124-R127 VanDerWaalsContact O-CB 3.32Å; Y124-R127 WeakPolarHBondContact O-CB 3.45Å; Y124-R127 VanDerWaalsContact O-CD 3.26Å; Y124-R127 WeakPolarHBondContact O-CD 3.34Å; Y124-R127 WeakPolarHBondContact O-CG 3.41Å; Y124-R127 PolarHBondContact O-N 3.11Å; Y124-R127 PolarHBondContact OH-NH1 3.23Å; Y124-R127 VanDerWaalsContact OH-NH1 3.08Å; Y124-R127 PolarHBondContact OH-NH2 3.02Å; R127-A131 WeakPolarHBondContact O-CB 3.3Å; R127-A131 PolarHBondContact O-N 3.06Å
128	W	92.6	Very high	89.2	Confident	189 Å²	189	64 Å²	64	72%	0.716	33%	0.332	S	S	*	.	H	α-helix	trans	-72.7	-38.3	179	-63.8	124.1	0	0	0	113	E126 A132	E126-W128 PolarHBondContact O-N 2.86Å; W128-A132 VanDerWaalsContact O-CB 3.31Å; W128-A132 WeakPolarHBondContact O-CB 3.2Å; W128-A132 PolarHBondContact O-N 2.81Å
129	R	92.3	Very high	89.7	Confident	115 Å²	115	63.6 Å²	63.6	43%	0.434	34%	0.339	S	S	.	.	H	α-helix	trans	-70	-42.2	174.5	-66.4	-171.1	179.1	133.9	-7.4	110.9	E126 A132 G133 L196 S200	E126-R129 PolarHBondContact O-N 3.21Å; E126-R129 IonicContact OE1-NH1 3.95Å; E126-R129 WeakPolarHBondContact OE2-CD 3.43Å; E126-R129 IonicContact OE2-CZ 3.86Å; E126-R129 IonicContact OE2-NE 2.77Å; E126-R129 IonicContact OE2-NH1 3.85Å; E126-R129 PolarHBondContact OE2-NH1 3.45Å; R129-A132 PolarHBondContact O-N 2.86Å; R129-G133 PolarHBondContact O-N 2.99Å; R129-L196 HydrophobicContact CB-CD2 4.24Å; R129-L196 HydrophobicContact CG-CD2 4.31Å; R129-S200 WeakPolarHBondContact CB-OG 3.37Å
130	L	92.6	Very high	90.3	Very high	25 Å²	25	62.7 Å²	62.7	13%	0.131	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-46.4	175.5	-63.6	175.3	0	0	0	111.4	A123 E126 G133 V134 M197 T248	A123-L130 HydrophobicContact CB-CD1 3.85Å; E126-L130 HydrophobicContact CB-CD1 4.33Å; E126-L130 HydrophobicContact CB-CG 4.37Å; E126-L130 PolarHBondContact O-N 3.38Å; L130-G133 PolarHBondContact O-N 2.85Å; L130-V134 WeakPolarHBondContact O-CG2 3.23Å; L130-V134 PolarHBondContact O-N 2.9Å; L130-M197 HydrophobicContact CD2-CE 4.22Å; L130-M197 HydrophobicContact CD2-SD 3.69Å; L130-M197 VanDerWaalsContact O-CE 3.31Å; L130-M197 WeakPolarHBondContact O-CE 3.4Å; L130-T248 HydrophobicContact CD2-CG2 3.87Å
131	A	93.1	Very high	90.9	Very high	56 Å²	56	57.5 Å²	57.5	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-42.7	175.9	0	0	0	0	0	112.6	R127 V134 G135	R127-A131 WeakPolarHBondContact O-CB 3.3Å; R127-A131 PolarHBondContact O-N 3.06Å; A131-V134 PolarHBondContact O-N 2.94Å; A131-G135 PolarHBondContact O-N 2.83Å
132	A	94.3	Very high	91.1	Very high	42 Å²	42	59.1 Å²	59.1	35%	0.347	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-42.4	174	0	0	0	0	0	111.8	W128 R129 V134 G135 F136 L196	W128-A132 VanDerWaalsContact O-CB 3.31Å; W128-A132 WeakPolarHBondContact O-CB 3.2Å; W128-A132 PolarHBondContact O-N 2.81Å; R129-A132 PolarHBondContact O-N 2.86Å; A132-V134 PolarHBondContact O-N 3.31Å; A132-G135 PolarHBondContact O-N 2.69Å; A132-G135 VanDerWaalsContact O-N 3.16Å; A132-F136 WeakPolarHBondContact O-CD2 3.47Å; A132-F136 PolarHBondContact O-N 2.87Å; A132-L196 HydrophobicContact CB-CD1 3.96Å
133	G	93.6	Very high	91.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.4	-37.3	173.7	0	0	0	0	0	113	R129 L130 G135 F136 L137 R193	R129-G133 PolarHBondContact O-N 2.99Å; L130-G133 PolarHBondContact O-N 2.85Å; G133-G135 VanDerWaalsContact C-N 3.35Å; G133-F136 PolarHBondContact O-N 2.95Å; G133-L137 VanDerWaalsContact O-CB 3.3Å; G133-L137 WeakPolarHBondContact O-CB 3.26Å; G133-L137 PolarHBondContact O-N 3.42Å; G133-R193 WeakPolarHBondContact O-CG 3.41Å
134	V	93.4	Very high	91.6	Very high	52 Å²	52	60.3 Å²	60.3	32%	0.315	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-36.6	171.4	171.3	0	0	0	0	111.5	L130 A131 A132 L137 T138 M197 L255	L130-V134 WeakPolarHBondContact O-CG2 3.23Å; L130-V134 PolarHBondContact O-N 2.9Å; A131-V134 PolarHBondContact O-N 2.94Å; A132-V134 PolarHBondContact O-N 3.31Å; V134-L137 WeakPolarHBondContact O-CB 3.42Å; V134-L137 PolarHBondContact O-N 2.79Å; V134-T138 PolarHBondContact O-N 2.86Å; V134-M197 HydrophobicContact CG2-CE 4.05Å; V134-L255 HydrophobicContact CG1-CD2 3.88Å; V134-L255 HydrophobicContact CG2-CD2 4.07Å
135	G	93.8	Very high	91.8	Very high	34 Å²	34	54.7 Å²	54.7	35%	0.351	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-46.8	171.8	0	0	0	0	0	113.1	A131 A132 G133 L137 T138 V139	A131-G135 PolarHBondContact O-N 2.83Å; A132-G135 PolarHBondContact O-N 2.69Å; A132-G135 VanDerWaalsContact O-N 3.16Å; G133-G135 VanDerWaalsContact C-N 3.35Å; G135-L137 VanDerWaalsContact C-N 3.26Å; G135-L137 PolarHBondContact O-N 2.77Å; G135-T138 PolarHBondContact O-N 3.02Å; G135-T138 PolarHBondContact O-OG1 2.76Å; G135-V139 WeakPolarHBondContact O-CG2 3.36Å; G135-V139 PolarHBondContact O-N 3.5Å
136	F	94.2	Very high	91.8	Very high	83 Å²	83	52.2 Å²	52.2	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-67	-28.1	173.7	-71.5	-61.6	0	0	0	113	A132 G133 S140 A189 A192 R193 L196	A132-F136 WeakPolarHBondContact O-CD2 3.47Å; A132-F136 PolarHBondContact O-N 2.87Å; G133-F136 PolarHBondContact O-N 2.95Å; F136-S140 WeakPolarHBondContact O-CB 3.5Å; F136-S140 PolarHBondContact O-N 3.41Å; F136-S140 PolarHBondContact O-OG 3.02Å; F136-A189 HydrophobicContact CB-CB 4.41Å; F136-A189 WeakPolarHBondContact CB-O 3.42Å; F136-A189 HydrophobicContact CD1-CB 3.92Å; F136-A192 HydrophobicContact CD1-CB 4.24Å; F136-A192 HydrophobicContact CD2-CB 3.86Å; F136-A192 HydrophobicContact CE1-CB 4.31Å; F136-A192 HydrophobicContact CE2-CB 3.93Å; F136-A192 HydrophobicContact CG-CB 4.03Å; F136-A192 HydrophobicContact CZ-CB 4.16Å; F136-R193 HydrophobicContact CB-CB 4.08Å; F136-L196 HydrophobicContact CD2-CD1 3.81Å; F136-L196 HydrophobicContact CE2-CD1 3.91Å
137	L	93.4	Very high	91.6	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-49.8	171.9	170	61	0	0	0	111.3	G133 V134 G135 V139 S140 S141 R193 S252 L255 R256	G133-L137 VanDerWaalsContact O-CB 3.3Å; G133-L137 WeakPolarHBondContact O-CB 3.26Å; G133-L137 PolarHBondContact O-N 3.42Å; V134-L137 WeakPolarHBondContact O-CB 3.42Å; V134-L137 PolarHBondContact O-N 2.79Å; G135-L137 VanDerWaalsContact C-N 3.26Å; G135-L137 PolarHBondContact O-N 2.77Å; L137-V139 PolarHBondContact O-N 3.34Å; L137-S140 PolarHBondContact O-N 2.92Å; L137-S140 PolarHBondContact O-OG 2.84Å; L137-S141 VanDerWaalsContact O-CB 3.25Å; L137-S141 WeakPolarHBondContact O-CB 3.28Å; L137-S141 PolarHBondContact O-N 2.82Å; L137-S141 PolarHBondContact O-OG 3.2Å; L137-R193 HydrophobicContact CB-CG 4.21Å; L137-S252 VanDerWaalsContact CD2-O 3.28Å; L137-S252 WeakPolarHBondContact CD2-O 3.29Å; L137-L255 HydrophobicContact CD2-CB 3.93Å; L137-L255 HydrophobicContact CD2-CD2 3.99Å; L137-L255 HydrophobicContact CD2-CG 3.9Å; L137-R256 HydrophobicContact CD1-CB 3.58Å; L137-R256 HydrophobicContact CD1-CG 4Å; L137-R256 VanDerWaalsContact CD1-NE 3.29Å
138	T	90.8	Very high	91.6	Very high	75 Å²	75	47.4 Å²	47.4	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-61.8	-45.8	179.6	56.4	0	0	0	0	111	V134 G135 S140 S141 T142	V134-T138 PolarHBondContact O-N 2.86Å; G135-T138 PolarHBondContact O-N 3.02Å; G135-T138 PolarHBondContact O-OG1 2.76Å; T138-S140 PolarHBondContact O-N 3.16Å; T138-S141 PolarHBondContact O-N 3.06Å; T138-T142 WeakPolarHBondContact O-CB 3.45Å; T138-T142 PolarHBondContact O-N 3.09Å; T138-T142 PolarHBondContact O-OG1 2.89Å; T138-T142 VanDerWaalsContact O-OG1 3.09Å
139	V	91.6	Very high	91.5	Very high	76 Å²	76	41 Å²	41	46%	0.461	25%	0.245	S	C	.	.	H	α-helix	trans	-56.2	-52.5	175.4	174.3	0	0	0	0	111.9	G135 L137 S141 T142 V143 A189	G135-V139 WeakPolarHBondContact O-CG2 3.36Å; G135-V139 PolarHBondContact O-N 3.5Å; L137-V139 PolarHBondContact O-N 3.34Å; V139-S141 PolarHBondContact O-N 2.98Å; V139-T142 PolarHBondContact O-N 3.3Å; V139-V143 WeakPolarHBondContact O-CG2 3.44Å; V139-V143 PolarHBondContact O-N 3.41Å; V139-A189 HydrophobicContact CG1-CB 4.16Å
140	S	91.3	Very high	91.4	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-35.4	-179.1	56.9	0	0	0	0	113.1	F136 L137 T138 T144 R256	F136-S140 WeakPolarHBondContact O-CB 3.5Å; F136-S140 PolarHBondContact O-N 3.41Å; F136-S140 PolarHBondContact O-OG 3.02Å; L137-S140 PolarHBondContact O-N 2.92Å; L137-S140 PolarHBondContact O-OG 2.84Å; T138-S140 PolarHBondContact O-N 3.16Å; S140-T144 WeakPolarHBondContact O-CB 3.39Å; S140-T144 PolarHBondContact O-N 3.22Å; S140-T144 PolarHBondContact O-OG1 2.78Å; S140-R256 PolarHBondContact OG-NH2 3.25Å
141	S	90.9	Very high	91.1	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-44.7	174.1	-73.7	0	0	0	0	112.4	L137 T138 V139 T144 M145	L137-S141 VanDerWaalsContact O-CB 3.25Å; L137-S141 WeakPolarHBondContact O-CB 3.28Å; L137-S141 PolarHBondContact O-N 2.82Å; L137-S141 PolarHBondContact O-OG 3.2Å; T138-S141 PolarHBondContact O-N 3.06Å; V139-S141 PolarHBondContact O-N 2.98Å; S141-T144 PolarHBondContact O-N 3.41Å; S141-M145 WeakPolarHBondContact O-CG 3.29Å; S141-M145 PolarHBondContact O-N 3.41Å
142	T	89.2	Confident	90.9	Very high	99 Å²	99	38.8 Å²	38.8	61%	0.607	23%	0.231	S	C	*	.	H	α-helix	trans	-62.3	-44.4	176.4	-62.7	0	0	0	0	111.6	T138 V139 T144 M145 S146	T138-T142 WeakPolarHBondContact O-CB 3.45Å; T138-T142 PolarHBondContact O-N 3.09Å; T138-T142 PolarHBondContact O-OG1 2.89Å; T138-T142 VanDerWaalsContact O-OG1 3.09Å; V139-T142 PolarHBondContact O-N 3.3Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 2.99Å; T142-M145 PolarHBondContact O-N 2.7Å; T142-S146 PolarHBondContact O-N 3.14Å
143	V	89.4	Confident	90.5	Very high	25 Å²	25	42.8 Å²	42.8	15%	0.152	24%	0.237	C	C	.	.	H	α-helix	trans	-57.2	-47.7	173.9	166.7	0	0	0	0	110.7	V139 M145 S146 V182 F183	V139-V143 WeakPolarHBondContact O-CG2 3.44Å; V139-V143 PolarHBondContact O-N 3.41Å; V143-M145 PolarHBondContact O-N 2.85Å; V143-S146 PolarHBondContact O-N 2.83Å; V143-S146 PolarHBondContact O-OG 2.79Å; V143-V182 HydrophobicContact CB-CG1 4.49Å; V143-V182 HydrophobicContact CG1-CG1 3.75Å; V143-V182 HydrophobicContact CG2-CG1 4.12Å; V143-F183 HydrophobicContact CG1-CD1 4.24Å
144	T	87.8	Confident	90.2	Very high	43 Å²	43	43.6 Å²	43.6	26%	0.264	24%	0.242	S	C	.	.	H	α-helix	trans	-60.3	-41.8	177.9	-53	0	0	0	0	112.4	S140 S141 T142 S146 A147 W401	S140-T144 WeakPolarHBondContact O-CB 3.39Å; S140-T144 PolarHBondContact O-N 3.22Å; S140-T144 PolarHBondContact O-OG1 2.78Å; S141-T144 PolarHBondContact O-N 3.41Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 2.99Å; T144-S146 VanDerWaalsContact C-N 3.33Å; T144-S146 PolarHBondContact O-N 2.81Å; T144-A147 PolarHBondContact O-N 2.76Å; T144-W401 HydrophobicContact CG2-CH2 3.53Å; T144-W401 HydrophobicContact CG2-CZ2 3.6Å; T144-W401 HydrophobicContact CG2-CZ3 4.04Å
145	M	90.5	Very high	89.9	Confident	18 Å²	18	43.5 Å²	43.5	9%	0.089	24%	0.239	C	C	.	.	H	α-helix	trans	-75.9	-15	179.8	-66	-63.1	93.6	0	0	113.9	S141 T142 V143 Q260 Y398 W401	S141-M145 WeakPolarHBondContact O-CG 3.29Å; S141-M145 PolarHBondContact O-N 3.41Å; T142-M145 PolarHBondContact O-N 2.7Å; V143-M145 PolarHBondContact O-N 2.85Å; M145-Q260 HydrophobicContact CE-CB 4.24Å; M145-Q260 HydrophobicContact CE-CG 3.93Å; M145-Q260 HydrophobicContact CG-CG 4.26Å; M145-Q260 HydrophobicContact SD-CB 4.03Å; M145-Q260 HydrophobicContact SD-CG 4.08Å; M145-Y398 WeakPolarHBondContact O-CE1 3.21Å; M145-Y398 PolarHBondContact O-OH 2.98Å; M145-W401 HydrophobicContact CE-CB 4Å; M145-W401 HydrophobicContact CE-CD2 3.61Å; M145-W401 HydrophobicContact CE-CE3 3.83Å; M145-W401 HydrophobicContact CE-CG 3.69Å
146	S	89.5	Confident	89.5	Confident	29 Å²	29	43 Å²	43	20%	0.203	23%	0.228	C	C	.	.	H	α-helix	trans	-78	-25.6	171.4	72.5	0	0	0	0	113.6	T142 V143 T144 F149 F150	T142-S146 PolarHBondContact O-N 3.14Å; V143-S146 PolarHBondContact O-N 2.83Å; V143-S146 PolarHBondContact O-OG 2.79Å; T144-S146 VanDerWaalsContact C-N 3.33Å; T144-S146 PolarHBondContact O-N 2.81Å; S146-F149 PolarHBondContact O-N 3.1Å; S146-F150 WeakPolarHBondContact O-CD2 3.32Å; S146-F150 PolarHBondContact O-N 2.8Å; S146-F150 VanDerWaalsContact O-N 3.15Å
147	A	88.3	Confident	88.9	Confident	25 Å²	25	41.2 Å²	41.2	21%	0.207	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-41.3	-172.8	0	0	0	0	0	114.8	T144 L151 F183	T144-A147 PolarHBondContact O-N 2.76Å; A147-L151 WeakPolarHBondContact O-CB 3.29Å; A147-L151 PolarHBondContact O-N 2.81Å; A147-F183 HydrophobicContact CB-CE1 4.01Å; A147-F183 HydrophobicContact CB-CZ 4.16Å
148	P	92.1	Very high	88.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-45.5	176.4	-25	36.1	0	0	0	113.5	L151 G152 S394 M397 Y398	P148-L151 PolarHBondContact O-N 2.87Å; P148-G152 PolarHBondContact O-N 2.78Å; P148-S394 PolarHBondContact O-OG 2.84Å; P148-M397 HydrophobicContact CB-CB 3.73Å; P148-M397 HydrophobicContact CB-CE 4.21Å; P148-M397 HydrophobicContact CB-SD 4.23Å; P148-M397 HydrophobicContact CG-CB 4.13Å; P148-M397 HydrophobicContact CG-CE 4.22Å; P148-Y398 HydrophobicContact CB-CD1 4.24Å; P148-Y398 HydrophobicContact CB-CD2 4.07Å; P148-Y398 HydrophobicContact CB-CE1 3.93Å; P148-Y398 HydrophobicContact CB-CE2 3.73Å; P148-Y398 HydrophobicContact CB-CG 4.28Å; P148-Y398 HydrophobicContact CG-CD1 4.06Å; P148-Y398 HydrophobicContact CG-CE1 3.74Å; P148-Y398 HydrophobicContact CG-CE2 4.46Å
149	F	90.4	Very high	87.9	Confident	54 Å²	54	50.1 Å²	50.1	24%	0.237	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-44.8	179.1	175.1	-96.4	0	0	0	112.3	S146 G152 R153 M267 Y270 Y398	S146-F149 PolarHBondContact O-N 3.1Å; F149-G152 PolarHBondContact O-N 2.96Å; F149-R153 HydrophobicContact CE1-CG 4.37Å; F149-R153 HydrophobicContact CZ-CG 4.39Å; F149-R153 PolarHBondContact O-N 2.86Å; F149-R153 VanDerWaalsContact O-N 3.11Å; F149-M267 HydrophobicContact CB-CE 4.18Å; F149-M267 HydrophobicContact CD2-CE 3.98Å; F149-M267 HydrophobicContact CG-CE 4.29Å; F149-Y270 HydrophobicContact CE2-CE1 4.36Å; F149-Y398 HydrophobicContact CB-CE2 4.4Å; F149-Y398 WeakPolarHBondContact CB-OH 3.29Å; F149-Y398 PolarHBondContact N-OH 3.29Å
150	F	88.6	Confident	87.1	Confident	70 Å²	70	51.7 Å²	51.7	31%	0.307	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-38.1	175.8	-73.9	-58.3	0	0	0	112.3	S146 R153 V154 L179	S146-F150 WeakPolarHBondContact O-CD2 3.32Å; S146-F150 PolarHBondContact O-N 2.8Å; S146-F150 VanDerWaalsContact O-N 3.15Å; F150-R153 PolarHBondContact O-N 3.18Å; F150-V154 WeakPolarHBondContact O-CG2 3.45Å; F150-V154 PolarHBondContact O-N 3.27Å; F150-L179 HydrophobicContact CB-CD1 4.41Å; F150-L179 HydrophobicContact CB-CD2 4.04Å; F150-L179 HydrophobicContact CD2-CD2 3.87Å; F150-L179 HydrophobicContact CG-CD2 4.04Å
151	L	87.9	Confident	85.8	Confident	80 Å²	80	53.3 Å²	53.3	42%	0.419	28%	0.278	S	S	.	.	H	α-helix	trans	-65.9	-38.5	176.2	-165	70.3	0	0	0	111.9	A147 P148 R153 V154 I155 M397	A147-L151 WeakPolarHBondContact O-CB 3.29Å; A147-L151 PolarHBondContact O-N 2.81Å; P148-L151 PolarHBondContact O-N 2.87Å; L151-R153 PolarHBondContact O-N 2.77Å; L151-V154 PolarHBondContact O-N 2.79Å; L151-I155 HydrophobicContact CG-CD1 4.28Å; L151-I155 VanDerWaalsContact O-CG1 3.32Å; L151-I155 WeakPolarHBondContact O-CG1 3.47Å; L151-I155 PolarHBondContact O-N 2.93Å; L151-M397 HydrophobicContact CB-SD 4.41Å; L151-M397 HydrophobicContact CD2-CE 3.93Å; L151-M397 HydrophobicContact CD2-SD 3.64Å
152	G	88.9	Confident	84.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-56.7	-47.9	171.1	0	0	0	0	0	112.7	P148 F149 V154 I155 D156 G390 S394	P148-G152 PolarHBondContact O-N 2.78Å; F149-G152 PolarHBondContact O-N 2.96Å; G152-V154 VanDerWaalsContact C-N 3.31Å; G152-V154 PolarHBondContact O-N 3.47Å; G152-I155 WeakPolarHBondContact O-CB 3.16Å; G152-I155 PolarHBondContact O-N 3Å; G152-I155 VanDerWaalsContact O-N 3.13Å; G152-D156 PolarHBondContact O-N 3.4Å; G152-G390 VanDerWaalsContact CA-O 3.23Å; G152-G390 WeakPolarHBondContact CA-O 3.41Å; G152-G390 VanDerWaalsContact O-CA 3.32Å; G152-G390 WeakPolarHBondContact O-CA 3.37Å; G152-S394 WeakPolarHBondContact CA-OG 3.44Å
153	R	85.9	Confident	82.7	Confident	125 Å²	125	56.4 Å²	56.4	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-64.1	-32.3	176.7	-66.9	-59.1	-174.2	90.2	-7.7	113.5	F149 F150 L151 T157	F149-R153 HydrophobicContact CE1-CG 4.37Å; F149-R153 HydrophobicContact CZ-CG 4.39Å; F149-R153 PolarHBondContact O-N 2.86Å; F149-R153 VanDerWaalsContact O-N 3.11Å; F150-R153 PolarHBondContact O-N 3.18Å; L151-R153 PolarHBondContact O-N 2.77Å; R153-T157 WeakPolarHBondContact O-CB 3.44Å; R153-T157 PolarHBondContact O-N 2.87Å; R153-T157 PolarHBondContact O-OG1 3.43Å
154	V	85.9	Confident	81.5	Confident	17 Å²	17	60.3 Å²	60.3	10%	0.103	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-45.3	170.8	169.4	0	0	0	0	111.2	F150 L151 G152 T157 I158 L172 L175	F150-V154 WeakPolarHBondContact O-CG2 3.45Å; F150-V154 PolarHBondContact O-N 3.27Å; L151-V154 PolarHBondContact O-N 2.79Å; G152-V154 VanDerWaalsContact C-N 3.31Å; G152-V154 PolarHBondContact O-N 3.47Å; V154-T157 PolarHBondContact O-N 3.29Å; V154-I158 HydrophobicContact CG1-CD1 3.75Å; V154-I158 VanDerWaalsContact O-CG1 3.31Å; V154-I158 WeakPolarHBondContact O-CG1 3.49Å; V154-I158 PolarHBondContact O-N 3.3Å; V154-L172 HydrophobicContact CG1-CD1 3.85Å; V154-L175 HydrophobicContact CG2-CD1 3.81Å; V154-L175 HydrophobicContact CG2-CD2 3.46Å; V154-L175 VanDerWaalsContact CG2-CD2 3.46Å; V154-L175 HydrophobicContact CG2-CG 4.29Å
155	I	88.1	Confident	80.4	Confident	50 Å²	50	65.3 Å²	65.3	26%	0.256	36%	0.363	S	S	.	.	H	α-helix	trans	-59.5	-47.8	177.4	-69.9	163.4	0	0	0	110.8	L151 G152 T157 I158 Y159 V389	L151-I155 HydrophobicContact CG-CD1 4.28Å; L151-I155 VanDerWaalsContact O-CG1 3.32Å; L151-I155 WeakPolarHBondContact O-CG1 3.47Å; L151-I155 PolarHBondContact O-N 2.93Å; G152-I155 WeakPolarHBondContact O-CB 3.16Å; G152-I155 PolarHBondContact O-N 3Å; G152-I155 VanDerWaalsContact O-N 3.13Å; I155-T157 PolarHBondContact O-N 2.88Å; I155-I158 PolarHBondContact O-N 2.93Å; I155-Y159 WeakPolarHBondContact O-CB 3.27Å; I155-Y159 PolarHBondContact O-N 3.47Å; I155-V389 HydrophobicContact CG2-CB 4.46Å; I155-V389 HydrophobicContact CG2-CG1 4.07Å
156	D	85.7	Confident	79.3	Confident	23 Å²	23	72.5 Å²	72.5	12%	0.123	40%	0.396	C	S	.	.	H	α-helix	trans	-65.7	-37.8	178.7	-72.3	-31.8	0	0	0	112.6	G152 Y159 T160 T388 V389 G390	G152-D156 PolarHBondContact O-N 3.4Å; D156-Y159 PolarHBondContact O-N 3.48Å; D156-T160 WeakPolarHBondContact O-CB 3.45Å; D156-T160 WeakPolarHBondContact O-CG2 3.47Å; D156-T160 PolarHBondContact O-N 3.43Å; D156-T160 PolarHBondContact O-OG1 3.48Å; D156-T388 WeakPolarHBondContact OD1-CB 3.32Å; D156-T388 PolarHBondContact OD1-OG1 2.98Å; D156-T388 VanDerWaalsContact OD1-OG1 3.05Å; D156-T388 WeakPolarHBondContact OD2-CB 3.38Å; D156-T388 PolarHBondContact OD2-OG1 3.12Å; D156-V389 PolarHBondContact OD1-N 3.29Å; D156-G390 WeakPolarHBondContact OD1-CA 3.34Å; D156-G390 PolarHBondContact OD1-N 3.24Å; D156-G390 WeakPolarHBondContact OD2-CA 3.39Å
157	T	80.9	Confident	78.3	Confident	47 Å²	47	75 Å²	75	29%	0.288	41%	0.411	S	S	.	.	H	α-helix	trans	-62.2	-46.3	175.3	-56.5	0	0	0	0	110.8	R153 V154 I155 Y159 T160 S161	R153-T157 WeakPolarHBondContact O-CB 3.44Å; R153-T157 PolarHBondContact O-N 2.87Å; R153-T157 PolarHBondContact O-OG1 3.43Å; V154-T157 PolarHBondContact O-N 3.29Å; I155-T157 PolarHBondContact O-N 2.88Å; T157-Y159 VanDerWaalsContact C-N 3.31Å; T157-Y159 PolarHBondContact O-N 3.48Å; T157-T160 PolarHBondContact O-N 2.99Å; T157-T160 PolarHBondContact O-OG1 3.45Å; T157-S161 WeakPolarHBondContact O-CB 3.42Å; T157-S161 PolarHBondContact O-N 2.97Å; T157-S161 PolarHBondContact O-OG 2.94Å; T157-S161 VanDerWaalsContact O-OG 3.13Å
158	I	82.8	Confident	77.3	Confident	87 Å²	87	75.6 Å²	75.6	45%	0.446	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-38	177.2	-67.1	166.4	0	0	0	111.2	V154 I155	V154-I158 HydrophobicContact CG1-CD1 3.75Å; V154-I158 VanDerWaalsContact O-CG1 3.31Å; V154-I158 WeakPolarHBondContact O-CG1 3.49Å; V154-I158 PolarHBondContact O-N 3.3Å; I155-I158 PolarHBondContact O-N 2.93Å
159	Y	79.9	Confident	76.5	Confident	176 Å²	176	78.7 Å²	78.7	69%	0.69	43%	0.428	S	S	*	.	H	α-helix	trans	-73.9	-30	-179.3	-158.3	-93.7	0	0	0	113.2	I155 D156 T157	I155-Y159 WeakPolarHBondContact O-CB 3.27Å; I155-Y159 PolarHBondContact O-N 3.47Å; D156-Y159 PolarHBondContact O-N 3.48Å; T157-Y159 VanDerWaalsContact C-N 3.31Å; T157-Y159 PolarHBondContact O-N 3.48Å
160	T	75.5	Confident	75.8	Confident	110 Å²	110	79.2 Å²	79.2	68%	0.675	44%	0.443	S	S	*	.	H	α-helix	trans	-95.3	-33.3	-177.6	52.5	0	0	0	0	114	D156 T157 G162	D156-T160 WeakPolarHBondContact O-CB 3.45Å; D156-T160 WeakPolarHBondContact O-CG2 3.47Å; D156-T160 PolarHBondContact O-N 3.43Å; D156-T160 PolarHBondContact O-OG1 3.48Å; T157-T160 PolarHBondContact O-N 2.99Å; T157-T160 PolarHBondContact O-OG1 3.45Å; T160-G162 VanDerWaalsContact C-N 3.26Å; T160-G162 PolarHBondContact O-N 3.21Å
161	S	64.3	Low	75.2	Confident	37 Å²	37	79.1 Å²	79.1	26%	0.259	45%	0.451	S	S	.	.			trans	-86.1	17.6	-175.3	-57.4	0	0	0	0	114.5	T157 A163 D164	T157-S161 WeakPolarHBondContact O-CB 3.42Å; T157-S161 PolarHBondContact O-N 2.97Å; T157-S161 PolarHBondContact O-OG 2.94Å; T157-S161 VanDerWaalsContact O-OG 3.13Å; S161-A163 PolarHBondContact O-N 3.25Å; S161-D164 PolarHBondContact O-N 3.49Å
162	G	57.1	Low	74.7	Confident	73 Å²	73	77.8 Å²	77.8	75%	0.753	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	5.4	-175.3	0	0	0	0	0	116.9	T160	T160-G162 VanDerWaalsContact C-N 3.26Å; T160-G162 PolarHBondContact O-N 3.21Å
163	A	56.6	Low	74.4	Confident	94 Å²	94	81.7 Å²	81.7	78%	0.777	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-34.2	176	0	0	0	0	0	113.7	S161	S161-A163 PolarHBondContact O-N 3.25Å
164	D	64.2	Low	74.2	Confident	108 Å²	108	79.4 Å²	79.4	58%	0.578	47%	0.471	S	S	*	.			trans	-118.2	98.4	-172.7	-75	-42.5	0	0	0	111.7	S161 E166 T167 M168	S161-D164 PolarHBondContact O-N 3.49Å; D164-E166 PolarHBondContact O-N 3.3Å; D164-T167 VanDerWaalsContact CB-OG1 3.27Å; D164-T167 WeakPolarHBondContact CB-OG1 3.44Å; D164-T167 PolarHBondContact O-OG1 3.3Å; D164-M168 WeakPolarHBondContact O-CB 3.48Å; D164-M168 PolarHBondContact O-N 3.16Å
165	M	64.9	Low	73.9	Confident	147 Å²	147	80.7 Å²	80.7	72%	0.724	48%	0.477	S	S	*	.	H	α-helix	trans	-75.4	-27.9	-169.4	-155.1	167.5	-171.6	0	0	114.1	M168 T169	M165-M168 HydrophobicContact CG-CE 4.45Å; M165-T169 WeakPolarHBondContact O-CB 3.39Å; M165-T169 VanDerWaalsContact O-CG2 3.31Å; M165-T169 WeakPolarHBondContact O-CG2 3.05Å; M165-T169 PolarHBondContact O-N 2.66Å; M165-T169 VanDerWaalsContact O-N 3.13Å; M165-T169 PolarHBondContact O-OG1 3.05Å
166	E	68.1	Low	73.5	Confident	170 Å²	170	81.1 Å²	81.1	79%	0.794	48%	0.484	S	S	*	.	H	α-helix	trans	-74.9	-42.3	178.1	-64.7	-165	146.9	0	0	112.5	D164 T169 A170	D164-E166 PolarHBondContact O-N 3.3Å; E166-T169 WeakPolarHBondContact CA-OG1 3.32Å; E166-T169 PolarHBondContact O-N 3.15Å; E166-T169 PolarHBondContact O-OG1 2.87Å; E166-T169 VanDerWaalsContact O-OG1 3.08Å; E166-A170 WeakPolarHBondContact O-CB 3.28Å; E166-A170 PolarHBondContact O-N 3.39Å
167	T	67.5	Low	73.5	Confident	82 Å²	82	86 Å²	86	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-69	-39.1	178.2	59.3	0	0	0	0	111.1	D164 S171	D164-T167 VanDerWaalsContact CB-OG1 3.27Å; D164-T167 WeakPolarHBondContact CB-OG1 3.44Å; D164-T167 PolarHBondContact O-OG1 3.3Å; T167-S171 WeakPolarHBondContact O-CB 3.47Å; T167-S171 PolarHBondContact O-N 3.29Å; T167-S171 PolarHBondContact O-OG 2.89Å
168	M	68.7	Low	73.6	Confident	36 Å²	36	89.6 Å²	89.6	18%	0.177	52%	0.524	C	S	.	.	H	α-helix	trans	-60.6	-47.9	173.3	-172.5	-171.9	69.2	0	0	111.6	D164 M165 S171 L172	D164-M168 WeakPolarHBondContact O-CB 3.48Å; D164-M168 PolarHBondContact O-N 3.16Å; M165-M168 HydrophobicContact CG-CE 4.45Å; M168-S171 PolarHBondContact O-N 2.85Å; M168-L172 WeakPolarHBondContact O-CB 3.41Å; M168-L172 PolarHBondContact O-N 2.76Å
169	T	74.1	Confident	73.7	Confident	66 Å²	66	86.6 Å²	86.6	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-68.7	-38.7	-177.7	46.7	0	0	0	0	112.8	M165 E166 T173	M165-T169 WeakPolarHBondContact O-CB 3.39Å; M165-T169 VanDerWaalsContact O-CG2 3.31Å; M165-T169 WeakPolarHBondContact O-CG2 3.05Å; M165-T169 PolarHBondContact O-N 2.66Å; M165-T169 VanDerWaalsContact O-N 3.13Å; M165-T169 PolarHBondContact O-OG1 3.05Å; E166-T169 WeakPolarHBondContact CA-OG1 3.32Å; E166-T169 PolarHBondContact O-N 3.15Å; E166-T169 PolarHBondContact O-OG1 2.87Å; E166-T169 VanDerWaalsContact O-OG1 3.08Å; T169-T173 VanDerWaalsContact O-CB 3.29Å; T169-T173 WeakPolarHBondContact O-CB 3.49Å; T169-T173 PolarHBondContact O-N 2.87Å; T169-T173 PolarHBondContact O-OG1 3.38Å
170	A	76.8	Confident	74	Confident	65 Å²	65	82.7 Å²	82.7	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-48.4	173.5	0	0	0	0	0	112.1	E166 T173 S174	E166-A170 WeakPolarHBondContact O-CB 3.28Å; E166-A170 PolarHBondContact O-N 3.39Å; A170-T173 PolarHBondContact O-N 3.28Å; A170-S174 PolarHBondContact O-N 2.93Å; A170-S174 VanDerWaalsContact O-N 3.12Å
171	S	75.1	Confident	74.5	Confident	68 Å²	68	79.2 Å²	79.2	48%	0.476	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-45.3	-179.3	-57.7	0	0	0	0	112.1	T167 M168 S174 L175	T167-S171 WeakPolarHBondContact O-CB 3.47Å; T167-S171 PolarHBondContact O-N 3.29Å; T167-S171 PolarHBondContact O-OG 2.89Å; M168-S171 PolarHBondContact O-N 2.85Å; S171-S174 PolarHBondContact O-N 3.39Å; S171-L175 WeakPolarHBondContact O-CB 3.3Å; S171-L175 PolarHBondContact O-N 3.45Å; S171-L175 VanDerWaalsContact O-N 3.07Å
172	L	77.9	Confident	75.6	Confident	51 Å²	51	79.8 Å²	79.8	27%	0.267	49%	0.491	S	S	.	.	H	α-helix	trans	-64.6	-41.3	178.5	-175	64	0	0	0	111.8	V154 M168 L175 C176	V154-L172 HydrophobicContact CG1-CD1 3.85Å; M168-L172 WeakPolarHBondContact O-CB 3.41Å; M168-L172 PolarHBondContact O-N 2.76Å; L172-L175 PolarHBondContact O-N 2.96Å; L172-C176 WeakPolarHBondContact O-CB 3.41Å; L172-C176 PolarHBondContact O-N 3.3Å; L172-C176 PolarHBondContact O-SG 3.11Å
173	T	82.6	Confident	77	Confident	84 Å²	84	81 Å²	81	52%	0.515	48%	0.476	S	S	.	.	H	α-helix	trans	-64.4	-42.9	179.1	-57.5	0	0	0	0	111.6	T169 A170 C176 L177	T169-T173 VanDerWaalsContact O-CB 3.29Å; T169-T173 WeakPolarHBondContact O-CB 3.49Å; T169-T173 PolarHBondContact O-N 2.87Å; T169-T173 PolarHBondContact O-OG1 3.38Å; A170-T173 PolarHBondContact O-N 3.28Å; T173-C176 PolarHBondContact O-N 2.83Å; T173-L177 HydrophobicContact CG2-CD1 4.18Å; T173-L177 WeakPolarHBondContact O-CB 3.15Å; T173-L177 WeakPolarHBondContact O-CG 3.23Å; T173-L177 PolarHBondContact O-N 3.48Å
174	S	81.5	Confident	78.7	Confident	77 Å²	77	82.7 Å²	82.7	54%	0.538	47%	0.471	S	S	.	.	H	α-helix	trans	-61.4	-46.2	175.8	-173	0	0	0	0	112.1	A170 S171 L177 M178	A170-S174 PolarHBondContact O-N 2.93Å; A170-S174 VanDerWaalsContact O-N 3.12Å; S171-S174 PolarHBondContact O-N 3.39Å; S174-L177 PolarHBondContact O-N 3.03Å; S174-M178 PolarHBondContact O-N 2.59Å
175	L	78.9	Confident	79.8	Confident	44 Å²	44	81.7 Å²	81.7	23%	0.23	47%	0.471	C	S	.	.	H	α-helix	trans	-64.1	-44.1	178.6	-165.1	162.3	0	0	0	111.5	V154 S171 L172 L177 M178 L179	V154-L175 HydrophobicContact CG2-CD1 3.81Å; V154-L175 HydrophobicContact CG2-CD2 3.46Å; V154-L175 VanDerWaalsContact CG2-CD2 3.46Å; V154-L175 HydrophobicContact CG2-CG 4.29Å; S171-L175 WeakPolarHBondContact O-CB 3.3Å; S171-L175 PolarHBondContact O-N 3.45Å; S171-L175 VanDerWaalsContact O-N 3.07Å; L172-L175 PolarHBondContact O-N 2.96Å; L175-L177 PolarHBondContact O-N 3.42Å; L175-M178 PolarHBondContact O-N 3.26Å; L175-L179 HydrophobicContact CD2-CD1 3.49Å; L175-L179 VanDerWaalsContact CD2-CD1 3.49Å; L175-L179 HydrophobicContact CD2-CG 3.93Å; L175-L179 PolarHBondContact O-N 3.3Å
176	C	80.3	Confident	81.1	Confident	59 Å²	59	75 Å²	75	40%	0.399	44%	0.44	S	S	.	.	H	α-helix	trans	-64.1	-38.2	176.4	-74	0	0	0	0	113.1	L172 T173 T180	L172-C176 WeakPolarHBondContact O-CB 3.41Å; L172-C176 PolarHBondContact O-N 3.3Å; L172-C176 PolarHBondContact O-SG 3.11Å; T173-C176 PolarHBondContact O-N 2.83Å; C176-T180 WeakPolarHBondContact O-CB 3.43Å; C176-T180 PolarHBondContact O-N 3.01Å; C176-T180 PolarHBondContact O-OG1 3.16Å
177	L	85	Confident	82.1	Confident	124 Å²	124	68.9 Å²	68.9	65%	0.649	42%	0.423	S	S	*	.	H	α-helix	trans	-63.7	-44.6	173.1	-81	164.9	0	0	0	111.6	T173 S174 L175 T180 G181	T173-L177 HydrophobicContact CG2-CD1 4.18Å; T173-L177 WeakPolarHBondContact O-CB 3.15Å; T173-L177 WeakPolarHBondContact O-CG 3.23Å; T173-L177 PolarHBondContact O-N 3.48Å; S174-L177 PolarHBondContact O-N 3.03Å; L175-L177 PolarHBondContact O-N 3.42Å; L177-T180 PolarHBondContact O-N 3.44Å; L177-G181 PolarHBondContact O-N 3.09Å; L177-G181 VanDerWaalsContact O-N 3.14Å
178	M	84.5	Confident	83.4	Confident	123 Å²	123	67.9 Å²	67.9	61%	0.606	42%	0.423	S	S	*	.	H	α-helix	trans	-60.6	-48.9	176	-174.3	-175.7	-67.5	0	0	111.7	S174 L175 T180 G181 V182	S174-M178 PolarHBondContact O-N 2.59Å; L175-M178 PolarHBondContact O-N 3.26Å; M178-T180 VanDerWaalsContact C-N 3.3Å; M178-T180 PolarHBondContact O-N 3.35Å; M178-G181 PolarHBondContact O-N 2.97Å; M178-V182 WeakPolarHBondContact O-CG2 3.29Å; M178-V182 PolarHBondContact O-N 3.38Å
179	L	83.3	Confident	84.6	Confident	25 Å²	25	66.4 Å²	66.4	13%	0.131	42%	0.417	C	S	.	.	H	α-helix	trans	-61.1	-37.8	176.7	-75.8	-179.3	0	0	0	112.3	F150 L175 G181 V182 F183	F150-L179 HydrophobicContact CB-CD1 4.41Å; F150-L179 HydrophobicContact CB-CD2 4.04Å; F150-L179 HydrophobicContact CD2-CD2 3.87Å; F150-L179 HydrophobicContact CG-CD2 4.04Å; L175-L179 HydrophobicContact CD2-CD1 3.49Å; L175-L179 VanDerWaalsContact CD2-CD1 3.49Å; L175-L179 HydrophobicContact CD2-CG 3.93Å; L175-L179 PolarHBondContact O-N 3.3Å; L179-G181 PolarHBondContact O-N 3.32Å; L179-V182 PolarHBondContact O-N 2.82Å; L179-F183 HydrophobicContact CB-CD2 4.33Å; L179-F183 HydrophobicContact CB-CE2 3.95Å; L179-F183 HydrophobicContact CB-CZ 4.43Å; L179-F183 HydrophobicContact CD2-CZ 4.16Å; L179-F183 WeakPolarHBondContact O-CB 3.37Å; L179-F183 WeakPolarHBondContact O-CD2 3.39Å; L179-F183 VanDerWaalsContact O-CG 3.24Å; L179-F183 WeakPolarHBondContact O-CG 3.42Å; L179-F183 PolarHBondContact O-N 2.95Å
180	T	86.4	Confident	85.4	Confident	94 Å²	94	66 Å²	66	58%	0.577	41%	0.412	S	S	*	.	H	α-helix	trans	-61.2	-43.7	176.9	-59.2	0	0	0	0	111.4	C176 L177 M178 L184	C176-T180 WeakPolarHBondContact O-CB 3.43Å; C176-T180 PolarHBondContact O-N 3.01Å; C176-T180 PolarHBondContact O-OG1 3.16Å; L177-T180 PolarHBondContact O-N 3.44Å; M178-T180 VanDerWaalsContact C-N 3.3Å; M178-T180 PolarHBondContact O-N 3.35Å; T180-L184 WeakPolarHBondContact O-CB 3.32Å; T180-L184 PolarHBondContact O-N 3.12Å
181	G	87.4	Confident	86.2	Confident	37 Å²	37	65.8 Å²	65.8	38%	0.381	41%	0.41	S	S	.	.	H	α-helix	trans	-62.6	-46.8	173.6	0	0	0	0	0	112.7	L177 M178 L179 F183 L184 C185	L177-G181 PolarHBondContact O-N 3.09Å; L177-G181 VanDerWaalsContact O-N 3.14Å; M178-G181 PolarHBondContact O-N 2.97Å; L179-G181 PolarHBondContact O-N 3.32Å; G181-F183 PolarHBondContact O-N 2.99Å; G181-L184 PolarHBondContact O-N 3.2Å; G181-C185 PolarHBondContact O-N 2.94Å; G181-C185 PolarHBondContact O-SG 3.06Å
182	V	87.3	Confident	87.1	Confident	48 Å²	48	64 Å²	64	29%	0.291	40%	0.399	S	S	.	.	H	α-helix	trans	-60.6	-44	178.5	167.6	0	0	0	0	112	V143 M178 L179 C185 G186	V143-V182 HydrophobicContact CB-CG1 4.49Å; V143-V182 HydrophobicContact CG1-CG1 3.75Å; V143-V182 HydrophobicContact CG2-CG1 4.12Å; M178-V182 WeakPolarHBondContact O-CG2 3.29Å; M178-V182 PolarHBondContact O-N 3.38Å; L179-V182 PolarHBondContact O-N 2.82Å; V182-C185 PolarHBondContact O-N 3Å; V182-G186 PolarHBondContact O-N 2.95Å
183	F	86.6	Confident	87.8	Confident	98 Å²	98	62.3 Å²	62.3	43%	0.43	39%	0.389	S	S	.	.	H	α-helix	trans	-69.4	-34.7	177	-64.3	-34	0	0	0	112.8	V143 A147 L179 G181 G186 G187	V143-F183 HydrophobicContact CG1-CD1 4.24Å; A147-F183 HydrophobicContact CB-CE1 4.01Å; A147-F183 HydrophobicContact CB-CZ 4.16Å; L179-F183 HydrophobicContact CB-CD2 4.33Å; L179-F183 HydrophobicContact CB-CE2 3.95Å; L179-F183 HydrophobicContact CB-CZ 4.43Å; L179-F183 HydrophobicContact CD2-CZ 4.16Å; L179-F183 WeakPolarHBondContact O-CB 3.37Å; L179-F183 WeakPolarHBondContact O-CD2 3.39Å; L179-F183 VanDerWaalsContact O-CG 3.24Å; L179-F183 WeakPolarHBondContact O-CG 3.42Å; L179-F183 PolarHBondContact O-N 2.95Å; G181-F183 PolarHBondContact O-N 2.99Å; F183-G186 PolarHBondContact O-N 3.23Å; F183-G187 PolarHBondContact O-N 3.42Å
184	L	90.7	Very high	88.3	Confident	131 Å²	131	61.1 Å²	61.1	69%	0.686	38%	0.382	S	S	*	.	H	α-helix	trans	-63.4	-44.5	173.3	-175.1	63.6	0	0	0	111.2	T180 G181 G187 A188	T180-L184 WeakPolarHBondContact O-CB 3.32Å; T180-L184 PolarHBondContact O-N 3.12Å; G181-L184 PolarHBondContact O-N 3.2Å; L184-G187 PolarHBondContact O-N 3.39Å; L184-A188 WeakPolarHBondContact O-CB 3.33Å; L184-A188 PolarHBondContact O-N 3.06Å
185	C	89.1	Confident	88.9	Confident	86 Å²	86	65.5 Å²	65.5	58%	0.581	39%	0.388	S	S	*	.	H	α-helix	trans	-62.6	-43.4	173.4	-68.7	0	0	0	0	112.4	G181 V182 A188 A189	G181-C185 PolarHBondContact O-N 2.94Å; G181-C185 PolarHBondContact O-SG 3.06Å; V182-C185 PolarHBondContact O-N 3Å; C185-A188 PolarHBondContact O-N 3.01Å; C185-A189 WeakPolarHBondContact O-CB 3.43Å; C185-A189 PolarHBondContact O-N 3.35Å
186	G	90.6	Very high	89.6	Confident	7 Å²	7	64.9 Å²	64.9	7%	0.072	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-39.4	176.3	0	0	0	0	0	113.3	V182 F183 N190	V182-G186 PolarHBondContact O-N 2.95Å; F183-G186 PolarHBondContact O-N 3.23Å; G186-N190 WeakPolarHBondContact O-CB 3.22Å; G186-N190 PolarHBondContact O-N 3.33Å
187	G	90.9	Very high	90.2	Very high	41 Å²	41	62.5 Å²	62.5	42%	0.423	37%	0.367	S	S	.	.	H	α-helix	trans	-65.2	-46.6	174.7	0	0	0	0	0	112.4	F183 L184 A189 N190 A191	F183-G187 PolarHBondContact O-N 3.42Å; L184-G187 PolarHBondContact O-N 3.39Å; G187-A189 PolarHBondContact O-N 2.82Å; G187-N190 PolarHBondContact O-N 2.92Å; G187-A191 PolarHBondContact O-N 3.36Å
188	A	93.7	Very high	90.6	Very high	61 Å²	61	61.4 Å²	61.4	50%	0.504	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-42.8	175	0	0	0	0	0	112.1	L184 C185 A191 A192	L184-A188 WeakPolarHBondContact O-CB 3.33Å; L184-A188 PolarHBondContact O-N 3.06Å; C185-A188 PolarHBondContact O-N 3.01Å; A188-A191 PolarHBondContact O-N 2.92Å; A188-A192 WeakPolarHBondContact O-CB 3.45Å; A188-A192 PolarHBondContact O-N 3.35Å
189	A	93.1	Very high	91.1	Very high	6 Å²	6	57.1 Å²	57.1	5%	0.05	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-44.4	174.1	0	0	0	0	0	112	F136 V139 C185 G187 A191 A192 R193	F136-A189 HydrophobicContact CB-CB 4.41Å; F136-A189 WeakPolarHBondContact CB-O 3.42Å; F136-A189 HydrophobicContact CD1-CB 3.92Å; V139-A189 HydrophobicContact CG1-CB 4.16Å; C185-A189 WeakPolarHBondContact O-CB 3.43Å; C185-A189 PolarHBondContact O-N 3.35Å; G187-A189 PolarHBondContact O-N 2.82Å; A189-A191 PolarHBondContact O-N 2.85Å; A189-A192 PolarHBondContact O-N 3.19Å; A189-R193 WeakPolarHBondContact O-CB 3.48Å; A189-R193 PolarHBondContact O-N 2.89Å
190	N	91.1	Very high	91.6	Very high	58 Å²	58	56 Å²	56	31%	0.31	34%	0.337	S	S	.	.	H	α-helix	trans	-64.4	-38.6	176.7	-177.9	62.3	0	0	0	112.5	G186 G187 R193 V194 R256	G186-N190 WeakPolarHBondContact O-CB 3.22Å; G186-N190 PolarHBondContact O-N 3.33Å; G187-N190 PolarHBondContact O-N 2.92Å; N190-R193 WeakPolarHBondContact O-CB 3.43Å; N190-R193 PolarHBondContact O-N 2.95Å; N190-V194 WeakPolarHBondContact O-CG2 3.37Å; N190-V194 PolarHBondContact O-N 3.48Å; N190-R256 PolarHBondContact OD1-NH1 3.46Å; N190-R256 PolarHBondContact OD1-NH2 3.3Å
191	A	93.4	Very high	91.9	Very high	60 Å²	60	51.7 Å²	51.7	50%	0.496	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-45.2	174.5	0	0	0	0	0	111.8	G187 A188 A189 R193 V194 Y195	G187-A191 PolarHBondContact O-N 3.36Å; A188-A191 PolarHBondContact O-N 2.92Å; A189-A191 PolarHBondContact O-N 2.85Å; A191-R193 PolarHBondContact O-N 3.46Å; A191-V194 PolarHBondContact O-N 3.28Å; A191-Y195 PolarHBondContact O-N 3.3Å
192	A	94.3	Very high	92.2	Very high	30 Å²	30	55.5 Å²	55.5	25%	0.248	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-42.2	174.7	0	0	0	0	0	112.2	F136 A188 A189 L196	F136-A192 HydrophobicContact CD1-CB 4.24Å; F136-A192 HydrophobicContact CD2-CB 3.86Å; F136-A192 HydrophobicContact CE1-CB 4.31Å; F136-A192 HydrophobicContact CE2-CB 3.93Å; F136-A192 HydrophobicContact CG-CB 4.03Å; F136-A192 HydrophobicContact CZ-CB 4.16Å; A188-A192 WeakPolarHBondContact O-CB 3.45Å; A188-A192 PolarHBondContact O-N 3.35Å; A189-A192 PolarHBondContact O-N 3.19Å; A192-L196 WeakPolarHBondContact O-CB 3.46Å; A192-L196 VanDerWaalsContact O-CG 3.25Å; A192-L196 WeakPolarHBondContact O-CG 3.28Å; A192-L196 PolarHBondContact O-N 3.12Å
193	R	93.6	Very high	92.4	Very high	16 Å²	16	55.6 Å²	55.6	6%	0.06	32%	0.317	C	S	.	.	H	α-helix	trans	-56.7	-52.7	174	-176.5	-152.6	81.8	128.6	-7.4	111.7	G133 F136 L137 A189 N190 A191 L196 M197 S252 D253 R256	G133-R193 WeakPolarHBondContact O-CG 3.41Å; F136-R193 HydrophobicContact CB-CB 4.08Å; L137-R193 HydrophobicContact CB-CG 4.21Å; A189-R193 WeakPolarHBondContact O-CB 3.48Å; A189-R193 PolarHBondContact O-N 2.89Å; N190-R193 WeakPolarHBondContact O-CB 3.43Å; N190-R193 PolarHBondContact O-N 2.95Å; A191-R193 PolarHBondContact O-N 3.46Å; R193-L196 PolarHBondContact O-N 3.5Å; R193-M197 HydrophobicContact CG-CG 4.4Å; R193-M197 WeakPolarHBondContact O-CB 3.12Å; R193-M197 VanDerWaalsContact O-CG 3.32Å; R193-M197 WeakPolarHBondContact O-CG 3.3Å; R193-M197 PolarHBondContact O-N 3.05Å; R193-S252 PolarHBondContact NH1-OG 3.49Å; R193-D253 IonicContact CZ-OD1 2.65Å; R193-D253 VanDerWaalsContact CZ-OD1 3.23Å; R193-D253 IonicContact NH1-OD1 2.67Å; R193-D253 PolarHBondContact NH1-OD1 2.92Å; R193-D253 IonicContact NH2-OD1 3.47Å; R193-D253 PolarHBondContact NH2-OD1 3.36Å; R193-R256 VanDerWaalsContact CZ-NH1 3.33Å
194	V	92.4	Very high	92.7	Very high	59 Å²	59	51.1 Å²	51.1	36%	0.358	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-50.5	-177	170.1	0	0	0	0	110.2	N190 A191 L196 M197 E198	N190-V194 WeakPolarHBondContact O-CG2 3.37Å; N190-V194 PolarHBondContact O-N 3.48Å; A191-V194 PolarHBondContact O-N 3.28Å; V194-L196 PolarHBondContact O-N 3.38Å; V194-M197 PolarHBondContact O-N 3.2Å; V194-E198 WeakPolarHBondContact O-CB 3.43Å; V194-E198 PolarHBondContact O-N 3.2Å
195	Y	94.6	Very high	92.9	Very high	169 Å²	169	45.1 Å²	45.1	66%	0.663	27%	0.266	S	S	*	.	H	α-helix	trans	-58.4	-44.2	178.1	176.8	-102.2	0	0	0	113	A191 A199	A191-Y195 PolarHBondContact O-N 3.3Å; Y195-A199 WeakPolarHBondContact O-CB 3.38Å; Y195-A199 PolarHBondContact O-N 2.73Å
196	L	94.3	Very high	93.2	Very high	31 Å²	31	48.1 Å²	48.1	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-38.3	179.7	-72.7	168.7	0	0	0	112.9	R129 A132 F136 A192 R193 V194 S200	R129-L196 HydrophobicContact CB-CD2 4.24Å; R129-L196 HydrophobicContact CG-CD2 4.31Å; A132-L196 HydrophobicContact CB-CD1 3.96Å; F136-L196 HydrophobicContact CD2-CD1 3.81Å; F136-L196 HydrophobicContact CE2-CD1 3.91Å; A192-L196 WeakPolarHBondContact O-CB 3.46Å; A192-L196 VanDerWaalsContact O-CG 3.25Å; A192-L196 WeakPolarHBondContact O-CG 3.28Å; A192-L196 PolarHBondContact O-N 3.12Å; R193-L196 PolarHBondContact O-N 3.5Å; V194-L196 PolarHBondContact O-N 3.38Å; L196-S200 WeakPolarHBondContact O-CB 3.29Å; L196-S200 PolarHBondContact O-N 2.81Å; L196-S200 PolarHBondContact O-OG 3.23Å
197	M	93.1	Very high	93.3	Very high	8 Å²	8	50 Å²	50	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-70.7	-48.9	178.5	-70.8	-71	161.4	0	0	111.2	L130 V134 R193 V194 A199 S200 G201 T248 D249	L130-M197 HydrophobicContact CD2-CE 4.22Å; L130-M197 HydrophobicContact CD2-SD 3.69Å; L130-M197 VanDerWaalsContact O-CE 3.31Å; L130-M197 WeakPolarHBondContact O-CE 3.4Å; V134-M197 HydrophobicContact CG2-CE 4.05Å; R193-M197 HydrophobicContact CG-CG 4.4Å; R193-M197 WeakPolarHBondContact O-CB 3.12Å; R193-M197 VanDerWaalsContact O-CG 3.32Å; R193-M197 WeakPolarHBondContact O-CG 3.3Å; R193-M197 PolarHBondContact O-N 3.05Å; V194-M197 PolarHBondContact O-N 3.2Å; M197-A199 PolarHBondContact O-N 2.97Å; M197-S200 PolarHBondContact O-N 3.09Å; M197-G201 PolarHBondContact O-N 3.24Å; M197-T248 WeakPolarHBondContact O-CB 3.35Å; M197-T248 PolarHBondContact O-OG1 3.06Å; M197-D249 WeakPolarHBondContact CB-OD1 3.27Å
198	E	93	Very high	93.4	Very high	102 Å²	102	48.1 Å²	48.1	48%	0.477	25%	0.254	S	S	.	.	H	α-helix	trans	-63.3	-45.1	-179.9	-174.5	177.7	-172.3	0	0	111.6	V194 S200 G201 Q202 D249	V194-E198 WeakPolarHBondContact O-CB 3.43Å; V194-E198 PolarHBondContact O-N 3.2Å; E198-S200 VanDerWaalsContact C-N 3.32Å; E198-S200 PolarHBondContact O-N 2.81Å; E198-G201 PolarHBondContact O-N 2.96Å; E198-G201 VanDerWaalsContact O-N 3.13Å; E198-Q202 WeakPolarHBondContact O-CG 3.44Å; E198-Q202 PolarHBondContact O-N 3.04Å; E198-D249 PolarHBondContact N-OD1 3.2Å
199	A	93.4	Very high	93.5	Very high	33 Å²	33	49.7 Å²	49.7	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-37.6	177.1	0	0	0	0	0	112.6	Y195 M197 Q203	Y195-A199 WeakPolarHBondContact O-CB 3.38Å; Y195-A199 PolarHBondContact O-N 2.73Å; M197-A199 PolarHBondContact O-N 2.97Å; A199-Q203 VanDerWaalsContact O-CB 3.32Å; A199-Q203 WeakPolarHBondContact O-CB 3.24Å; A199-Q203 PolarHBondContact O-N 2.86Å
200	S	93.8	Very high	93.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-39.9	173.2	-56.2	0	0	0	0	111.2	R129 L196 M197 E198 Q203 I204	R129-S200 WeakPolarHBondContact CB-OG 3.37Å; L196-S200 WeakPolarHBondContact O-CB 3.29Å; L196-S200 PolarHBondContact O-N 2.81Å; L196-S200 PolarHBondContact O-OG 3.23Å; M197-S200 PolarHBondContact O-N 3.09Å; E198-S200 VanDerWaalsContact C-N 3.32Å; E198-S200 PolarHBondContact O-N 2.81Å; S200-Q203 PolarHBondContact O-N 3.33Å; S200-I204 WeakPolarHBondContact O-CG1 3.14Å; S200-I204 PolarHBondContact O-N 3.14Å
201	G	93.1	Very high	93.7	Very high	5 Å²	5	53.8 Å²	53.8	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-51.9	178.5	0	0	0	0	0	111.9	M197 E198 Q203 I204 V205	M197-G201 PolarHBondContact O-N 3.24Å; E198-G201 PolarHBondContact O-N 2.96Å; E198-G201 VanDerWaalsContact O-N 3.13Å; G201-Q203 VanDerWaalsContact C-N 3.26Å; G201-Q203 PolarHBondContact O-N 3.21Å; G201-I204 PolarHBondContact O-N 2.99Å; G201-I204 VanDerWaalsContact O-N 3.15Å; G201-V205 VanDerWaalsContact O-CG2 3.31Å; G201-V205 WeakPolarHBondContact O-CG2 3.14Å; G201-V205 PolarHBondContact O-N 2.95Å
202	Q	93.6	Very high	93.8	Very high	117 Å²	117	51 Å²	51	55%	0.547	25%	0.252	S	S	.	.	H	α-helix	trans	-58.3	-39.1	177.6	-64.8	-60.6	-18.6	0	0	112.3	E198 V205 R206	E198-Q202 WeakPolarHBondContact O-CG 3.44Å; E198-Q202 PolarHBondContact O-N 3.04Å; Q202-V205 PolarHBondContact O-N 2.98Å; Q202-R206 VanDerWaalsContact O-CB 3.3Å; Q202-R206 WeakPolarHBondContact O-CB 3.44Å; Q202-R206 PolarHBondContact O-N 2.75Å
203	Q	93.3	Very high	93.9	Very high	49 Å²	49	55 Å²	55	23%	0.229	26%	0.264	C	S	.	.	H	α-helix	trans	-67.6	-38.9	177.8	174.4	64.7	-3.7	0	0	112.4	E126 A199 S200 G201 N207	E126-Q203 HydrophobicContact CG-CG 4Å; E126-Q203 WeakPolarHBondContact OE1-CG 3.18Å; A199-Q203 VanDerWaalsContact O-CB 3.32Å; A199-Q203 WeakPolarHBondContact O-CB 3.24Å; A199-Q203 PolarHBondContact O-N 2.86Å; S200-Q203 PolarHBondContact O-N 3.33Å; G201-Q203 VanDerWaalsContact C-N 3.26Å; G201-Q203 PolarHBondContact O-N 3.21Å; Q203-N207 PolarHBondContact O-N 3.23Å; Q203-N207 PolarHBondContact O-ND2 3.4Å; Q203-N207 PolarHBondContact O-OD1 2.82Å
204	I	92.6	Very high	93.9	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-47.3	171.4	-69.3	166.3	0	0	0	110.8	L122 E126 S200 G201 R206 N207 L208 I247 T248	L122-I204 HydrophobicContact CB-CG2 4.4Å; E126-I204 HydrophobicContact CG-CG1 4.44Å; S200-I204 WeakPolarHBondContact O-CG1 3.14Å; S200-I204 PolarHBondContact O-N 3.14Å; G201-I204 PolarHBondContact O-N 2.99Å; G201-I204 VanDerWaalsContact O-N 3.15Å; I204-R206 VanDerWaalsContact C-N 3.34Å; I204-R206 PolarHBondContact O-N 3.41Å; I204-N207 PolarHBondContact O-N 2.94Å; I204-L208 HydrophobicContact CG2-CD1 3.94Å; I204-L208 HydrophobicContact CG2-CG 4.41Å; I204-L208 WeakPolarHBondContact O-CB 3.31Å; I204-L208 PolarHBondContact O-N 2.99Å; I204-I247 HydrophobicContact CD1-CG2 4.42Å; I204-T248 HydrophobicContact CD1-CG2 3.95Å
205	V	94.4	Very high	94	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-42.5	178.3	174.6	0	0	0	0	111.4	G201 Q202 L208 R209	G201-V205 VanDerWaalsContact O-CG2 3.31Å; G201-V205 WeakPolarHBondContact O-CG2 3.14Å; G201-V205 PolarHBondContact O-N 2.95Å; Q202-V205 PolarHBondContact O-N 2.98Å; V205-L208 PolarHBondContact O-N 3.17Å; V205-R209 HydrophobicContact CG1-CG 4.46Å; V205-R209 WeakPolarHBondContact O-CB 3.46Å; V205-R209 WeakPolarHBondContact O-CG 3.23Å; V205-R209 PolarHBondContact O-N 3.41Å
206	R	94.6	Very high	94	Very high	149 Å²	149	47.1 Å²	47.1	56%	0.562	24%	0.239	S	C	*	.	H	α-helix	trans	-58.2	-48.8	175.4	-174.3	-160.6	74.9	159	8.5	111.6	Q202 I204 R209 A210	Q202-R206 VanDerWaalsContact O-CB 3.3Å; Q202-R206 WeakPolarHBondContact O-CB 3.44Å; Q202-R206 PolarHBondContact O-N 2.75Å; I204-R206 VanDerWaalsContact C-N 3.34Å; I204-R206 PolarHBondContact O-N 3.41Å; R206-R209 PolarHBondContact O-N 2.95Å; R206-A210 PolarHBondContact O-N 2.97Å; R206-A210 VanDerWaalsContact O-N 3.12Å
207	N	92.4	Very high	94	Very high	48 Å²	48	50.4 Å²	50.4	26%	0.257	26%	0.256	S	S	.	.	H	α-helix	trans	-67.9	-41.3	-179.3	-63.6	-13.3	0	0	0	111.3	Q203 I204 R209 A210 M211	Q203-N207 PolarHBondContact O-N 3.23Å; Q203-N207 PolarHBondContact O-ND2 3.4Å; Q203-N207 PolarHBondContact O-OD1 2.82Å; I204-N207 PolarHBondContact O-N 2.94Å; N207-R209 PolarHBondContact O-N 3.34Å; N207-A210 PolarHBondContact O-N 3.43Å; N207-M211 WeakPolarHBondContact O-CG 3.45Å; N207-M211 PolarHBondContact O-N 2.76Å
208	L	93.4	Very high	94	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-47.6	172.8	-82.2	171.3	0	0	0	112	L122 I204 V205 A210 M211 V212 T240 V243 W427	L122-L208 HydrophobicContact CD1-CD2 4.22Å; L122-L208 HydrophobicContact CD2-CD2 3.71Å; L122-L208 HydrophobicContact CD2-CG 4.26Å; I204-L208 HydrophobicContact CG2-CD1 3.94Å; I204-L208 HydrophobicContact CG2-CG 4.41Å; I204-L208 WeakPolarHBondContact O-CB 3.31Å; I204-L208 PolarHBondContact O-N 2.99Å; V205-L208 PolarHBondContact O-N 3.17Å; L208-A210 VanDerWaalsContact C-N 3.34Å; L208-A210 PolarHBondContact O-N 2.98Å; L208-M211 HydrophobicContact CD2-CE 4.12Å; L208-M211 PolarHBondContact O-N 2.93Å; L208-V212 WeakPolarHBondContact O-CB 3.12Å; L208-V212 VanDerWaalsContact O-CG2 3.27Å; L208-V212 WeakPolarHBondContact O-CG2 3.36Å; L208-V212 PolarHBondContact O-N 2.97Å; L208-T240 HydrophobicContact CB-CG2 4.19Å; L208-V243 HydrophobicContact CD1-CB 4.23Å; L208-V243 HydrophobicContact CD1-CG1 3.81Å; L208-W427 HydrophobicContact CD2-CH2 4.05Å; L208-W427 HydrophobicContact CD2-CZ3 4.38Å
209	R	95.5	Very high	94.1	Very high	94 Å²	94	53 Å²	53	36%	0.355	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-42	178.6	-75.2	174.6	179.4	161.3	0.8	112.1	V205 R206 N207 F213 L236 S237 T240	V205-R209 HydrophobicContact CG1-CG 4.46Å; V205-R209 WeakPolarHBondContact O-CB 3.46Å; V205-R209 WeakPolarHBondContact O-CG 3.23Å; V205-R209 PolarHBondContact O-N 3.41Å; R206-R209 PolarHBondContact O-N 2.95Å; N207-R209 PolarHBondContact O-N 3.34Å; R209-F213 WeakPolarHBondContact O-CB 3.49Å; R209-F213 PolarHBondContact O-N 3.43Å; R209-L236 HydrophobicContact CB-CD1 4.13Å; R209-L236 HydrophobicContact CG-CD1 4.16Å; R209-L236 WeakPolarHBondContact CG-O 3.39Å; R209-L236 PolarHBondContact NE-O 2.89Å; R209-L236 WeakPolarHBondContact O-CD1 3.49Å; R209-S237 PolarHBondContact NH2-O 3.21Å; R209-T240 HydrophobicContact CG-CG2 3.93Å; R209-T240 WeakPolarHBondContact CG-OG1 3.43Å; R209-T240 PolarHBondContact NE-OG1 2.64Å
210	A	94.9	Very high	94	Very high	64 Å²	64	51.6 Å²	51.6	53%	0.529	25%	0.25	S	C	.	.	H	α-helix	trans	-63.1	-45.3	175.6	0	0	0	0	0	112.4	R206 N207 L208 S214	R206-A210 PolarHBondContact O-N 2.97Å; R206-A210 VanDerWaalsContact O-N 3.12Å; N207-A210 PolarHBondContact O-N 3.43Å; L208-A210 VanDerWaalsContact C-N 3.34Å; L208-A210 PolarHBondContact O-N 2.98Å; A210-S214 WeakPolarHBondContact O-CB 3.38Å; A210-S214 PolarHBondContact O-N 3.31Å
211	M	93.7	Very high	94	Very high	86 Å²	86	53.9 Å²	53.9	42%	0.424	26%	0.263	S	S	.	.	H	α-helix	trans	-65.8	-47.9	178.4	-68.3	-175.4	-61.4	0	0	112.1	L122 N207 L208 F213 S214 A215 L430	L122-M211 HydrophobicContact CD2-CE 3.94Å; N207-M211 WeakPolarHBondContact O-CG 3.45Å; N207-M211 PolarHBondContact O-N 2.76Å; L208-M211 HydrophobicContact CD2-CE 4.12Å; L208-M211 PolarHBondContact O-N 2.93Å; M211-F213 PolarHBondContact O-N 2.69Å; M211-S214 PolarHBondContact O-N 3.46Å; M211-A215 WeakPolarHBondContact O-CB 3.29Å; M211-A215 PolarHBondContact O-N 2.99Å; M211-L430 HydrophobicContact CB-CD2 3.88Å
212	V	95.3	Very high	94	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-42	-179.8	173.4	0	0	0	0	110.8	L208 A215 V216 L236 T240 L426 L429 L430	L208-V212 WeakPolarHBondContact O-CB 3.12Å; L208-V212 VanDerWaalsContact O-CG2 3.27Å; L208-V212 WeakPolarHBondContact O-CG2 3.36Å; L208-V212 PolarHBondContact O-N 2.97Å; V212-A215 PolarHBondContact O-N 3.28Å; V212-V216 HydrophobicContact CG1-CG2 4.4Å; V212-V216 WeakPolarHBondContact O-CB 3.49Å; V212-V216 WeakPolarHBondContact O-CG2 3.43Å; V212-V216 PolarHBondContact O-N 3.03Å; V212-L236 HydrophobicContact CB-CD1 4.12Å; V212-L236 HydrophobicContact CG1-CD1 4.03Å; V212-T240 HydrophobicContact CG2-CG2 4.38Å; V212-L426 HydrophobicContact CG1-CD2 4.42Å; V212-L426 HydrophobicContact CG2-CD2 4.12Å; V212-L429 HydrophobicContact CG1-CD1 4.15Å; V212-L430 HydrophobicContact CG2-CD1 3.91Å; V212-L430 HydrophobicContact CG2-CD2 4.12Å; V212-L430 HydrophobicContact CG2-CG 4.08Å
213	F	96.6	Very high	94	Very high	114 Å²	114	48.4 Å²	48.4	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-64.3	-42.3	176	-173.8	-111	0	0	0	112	R209 M211 V216 L217 L236	R209-F213 WeakPolarHBondContact O-CB 3.49Å; R209-F213 PolarHBondContact O-N 3.43Å; M211-F213 PolarHBondContact O-N 2.69Å; F213-V216 PolarHBondContact O-N 3.44Å; F213-L217 HydrophobicContact CD1-CD1 4.04Å; F213-L217 HydrophobicContact CE1-CD1 3.48Å; F213-L217 VanDerWaalsContact CE1-CD1 3.48Å; F213-L217 HydrophobicContact CE1-CG 4.38Å; F213-L217 HydrophobicContact CE2-CD1 4.18Å; F213-L217 HydrophobicContact CE2-CG 4.36Å; F213-L217 HydrophobicContact CZ-CD1 3.57Å; F213-L217 HydrophobicContact CZ-CG 4.23Å; F213-L217 WeakPolarHBondContact O-CB 3.39Å; F213-L217 WeakPolarHBondContact O-CG 3.24Å; F213-L217 PolarHBondContact O-N 3.03Å; F213-L236 HydrophobicContact CB-CD1 4.2Å; F213-L236 HydrophobicContact CB-CD2 4.49Å; F213-L236 HydrophobicContact CD2-CD2 3.97Å
214	S	94.8	Very high	94.1	Very high	49 Å²	49	49.6 Å²	49.6	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-39.4	174.9	-166.6	0	0	0	0	112.3	A210 M211 R218	A210-S214 WeakPolarHBondContact O-CB 3.38Å; A210-S214 PolarHBondContact O-N 3.31Å; M211-S214 PolarHBondContact O-N 3.46Å; S214-R218 WeakPolarHBondContact O-CB 3.38Å; S214-R218 VanDerWaalsContact O-CD 3.32Å; S214-R218 WeakPolarHBondContact O-CD 3.32Å; S214-R218 WeakPolarHBondContact O-CG 3.37Å; S214-R218 PolarHBondContact O-N 2.95Å; S214-R218 VanDerWaalsContact O-N 3.15Å; S214-R218 PolarHBondContact OG-NE 3.4Å
215	A	94.1	Very high	94	Very high	13 Å²	13	52.7 Å²	52.7	11%	0.107	26%	0.258	C	S	.	.	H	α-helix	trans	-67.9	-40.7	177	0	0	0	0	0	112.4	M211 V212 R218 Q219 L430	M211-A215 WeakPolarHBondContact O-CB 3.29Å; M211-A215 PolarHBondContact O-N 2.99Å; V212-A215 PolarHBondContact O-N 3.28Å; A215-R218 PolarHBondContact O-N 3.5Å; A215-Q219 WeakPolarHBondContact O-CG 3.45Å; A215-Q219 PolarHBondContact O-NE2 2.75Å; A215-L430 HydrophobicContact CB-CD2 3.82Å
216	V	95.3	Very high	93.8	Very high	17 Å²	17	58 Å²	58	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-47.6	174.7	168.3	0	0	0	0	110.9	V212 F213 R218 Q219 F224 L232 L429	V212-V216 HydrophobicContact CG1-CG2 4.4Å; V212-V216 WeakPolarHBondContact O-CB 3.49Å; V212-V216 WeakPolarHBondContact O-CG2 3.43Å; V212-V216 PolarHBondContact O-N 3.03Å; F213-V216 PolarHBondContact O-N 3.44Å; V216-R218 PolarHBondContact O-N 3.12Å; V216-R218 VanDerWaalsContact O-N 3.15Å; V216-Q219 PolarHBondContact O-N 2.97Å; V216-Q219 VanDerWaalsContact O-N 3.15Å; V216-F224 HydrophobicContact CG1-CE1 3.79Å; V216-F224 HydrophobicContact CG1-CZ 3.82Å; V216-F224 VanDerWaalsContact O-CZ 3.29Å; V216-F224 WeakPolarHBondContact O-CZ 3.24Å; V216-L232 HydrophobicContact CG1-CD1 4.23Å; V216-L429 HydrophobicContact CG2-CD1 4.03Å
217	L	93.6	Very high	93.6	Very high	101 Å²	101	52.7 Å²	52.7	53%	0.529	26%	0.263	S	S	.	.	H	α-helix	trans	-67.3	-10.4	176.9	-70.6	-175.5	0	0	0	114.5	F213 L438	F213-L217 HydrophobicContact CD1-CD1 4.04Å; F213-L217 HydrophobicContact CE1-CD1 3.48Å; F213-L217 VanDerWaalsContact CE1-CD1 3.48Å; F213-L217 HydrophobicContact CE1-CG 4.38Å; F213-L217 HydrophobicContact CE2-CD1 4.18Å; F213-L217 HydrophobicContact CE2-CG 4.36Å; F213-L217 HydrophobicContact CZ-CD1 3.57Å; F213-L217 HydrophobicContact CZ-CG 4.23Å; F213-L217 WeakPolarHBondContact O-CB 3.39Å; F213-L217 WeakPolarHBondContact O-CG 3.24Å; F213-L217 PolarHBondContact O-N 3.03Å; L217-L438 WeakPolarHBondContact O-CD1 3.32Å
218	R	93	Very high	93.5	Very high	150 Å²	150	58.9 Å²	58.9	57%	0.566	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-12.1	174	-77.4	165.4	-172.2	-116.8	0.5	114	S214 A215 V216 P434	S214-R218 WeakPolarHBondContact O-CB 3.38Å; S214-R218 VanDerWaalsContact O-CD 3.32Å; S214-R218 WeakPolarHBondContact O-CD 3.32Å; S214-R218 WeakPolarHBondContact O-CG 3.37Å; S214-R218 PolarHBondContact O-N 2.95Å; S214-R218 VanDerWaalsContact O-N 3.15Å; S214-R218 PolarHBondContact OG-NE 3.4Å; A215-R218 PolarHBondContact O-N 3.5Å; V216-R218 PolarHBondContact O-N 3.12Å; V216-R218 VanDerWaalsContact O-N 3.15Å; R218-P434 VanDerWaalsContact O-CB 3.31Å; R218-P434 WeakPolarHBondContact O-CB 3.3Å
219	Q	94.1	Very high	93.4	Very high	13 Å²	13	63.9 Å²	63.9	6%	0.061	31%	0.313	C	S	.	.	S	Bend	trans	-77.4	151.2	-177.9	-50.1	-53.9	-41.8	0	0	112	A215 V216 F223 F224 R432	A215-Q219 WeakPolarHBondContact O-CG 3.45Å; A215-Q219 PolarHBondContact O-NE2 2.75Å; V216-Q219 PolarHBondContact O-N 2.97Å; V216-Q219 VanDerWaalsContact O-N 3.15Å; Q219-F223 HydrophobicContact CB-CB 3.74Å; Q219-F223 HydrophobicContact CB-CD1 3.64Å; Q219-F223 HydrophobicContact CB-CD2 4.49Å; Q219-F223 HydrophobicContact CB-CE1 4.4Å; Q219-F223 HydrophobicContact CB-CG 3.7Å; Q219-F223 HydrophobicContact CG-CD1 3.89Å; Q219-F223 HydrophobicContact CG-CD2 4.42Å; Q219-F223 HydrophobicContact CG-CE1 4.19Å; Q219-F223 HydrophobicContact CG-CG 4.03Å; Q219-F224 HydrophobicContact CB-CE2 4.3Å; Q219-R432 PolarHBondContact NE2-O 2.84Å; Q219-R432 VanDerWaalsContact OE1-CD 3.32Å; Q219-R432 PolarHBondContact OE1-O 2.85Å
220	E	92.9	Very high	93	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.023	32%	0.319	C	S	.	.			trans	-70.9	164.1	175	76.7	-63.3	147.9	0	0	112.7	A222 F223 R432 P434 E435 F436	E220-A222 HydrophobicContact CG-CB 3.93Å; E220-A222 PolarHBondContact O-N 3.15Å; E220-F223 VanDerWaalsContact O-CB 3.29Å; E220-F223 WeakPolarHBondContact O-CB 3.34Å; E220-F223 PolarHBondContact O-N 3.26Å; E220-F223 PolarHBondContact OE1-N 3.43Å; E220-R432 VanDerWaalsContact CD-NH1 3.28Å; E220-R432 IonicContact OE1-CZ 3.38Å; E220-R432 VanDerWaalsContact OE1-CZ 3.29Å; E220-R432 IonicContact OE1-NH1 3.16Å; E220-R432 PolarHBondContact OE1-NH1 3.34Å; E220-R432 IonicContact OE1-NH2 2.71Å; E220-R432 PolarHBondContact OE1-NH2 2.99Å; E220-R432 IonicContact OE2-CZ 2.75Å; E220-R432 IonicContact OE2-NH1 3.69Å; E220-R432 PolarHBondContact OE2-NH1 3.49Å; E220-R432 IonicContact OE2-NH2 2.88Å; E220-P434 WeakPolarHBondContact OE2-CA 3.37Å; E220-E435 HydrophobicContact CG-CB 4.08Å; E220-E435 PolarHBondContact OE2-N 3.36Å; E220-E435 VanDerWaalsContact OE2-N 3.11Å; E220-F436 HydrophobicContact CB-CE1 4.07Å; E220-F436 HydrophobicContact CB-CE2 4.06Å; E220-F436 HydrophobicContact CB-CZ 3.65Å
221	V	93.8	Very high	92.7	Very high	47 Å²	47	62.1 Å²	62.1	29%	0.285	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-31	-174.3	-171.9	0	0	0	0	112.1	F223 F224 D225 L504 Y505	V221-F223 PolarHBondContact O-N 3.05Å; V221-F223 VanDerWaalsContact O-N 3.09Å; V221-F224 PolarHBondContact O-N 3.34Å; V221-D225 PolarHBondContact O-N 2.86Å; V221-L504 HydrophobicContact CB-CB 4.33Å; V221-L504 HydrophobicContact CG2-CB 3.78Å; V221-L504 HydrophobicContact CG2-CD1 4.41Å; V221-L504 HydrophobicContact CG2-CD2 3.97Å; V221-L504 HydrophobicContact CG2-CG 4.25Å; V221-Y505 HydrophobicContact CB-CE1 4.26Å; V221-Y505 VanDerWaalsContact CG1-OH 3.31Å; V221-Y505 WeakPolarHBondContact CG1-OH 3.46Å
222	A	92.6	Very high	92.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-19.6	173.8	0	0	0	0	0	114.8	E220 K226 P463 Y505	E220-A222 HydrophobicContact CG-CB 3.93Å; E220-A222 PolarHBondContact O-N 3.15Å; A222-K226 VanDerWaalsContact O-CD 3.29Å; A222-K226 WeakPolarHBondContact O-CD 3.4Å; A222-K226 WeakPolarHBondContact O-CG 3.39Å; A222-P463 HydrophobicContact CB-CB 3.94Å; A222-P463 HydrophobicContact CB-CG 3.76Å; A222-Y505 HydrophobicContact CB-CD1 4.12Å; A222-Y505 HydrophobicContact CB-CE1 4.06Å
223	F	94.1	Very high	92.6	Very high	7 Å²	7	63.1 Å²	63.1	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-73.2	-44.7	169.3	171.1	-98.3	0	0	0	111.3	Q219 E220 V221 K226 N227 L232 L429	Q219-F223 HydrophobicContact CB-CB 3.74Å; Q219-F223 HydrophobicContact CB-CD1 3.64Å; Q219-F223 HydrophobicContact CB-CD2 4.49Å; Q219-F223 HydrophobicContact CB-CE1 4.4Å; Q219-F223 HydrophobicContact CB-CG 3.7Å; Q219-F223 HydrophobicContact CG-CD1 3.89Å; Q219-F223 HydrophobicContact CG-CD2 4.42Å; Q219-F223 HydrophobicContact CG-CE1 4.19Å; Q219-F223 HydrophobicContact CG-CG 4.03Å; E220-F223 VanDerWaalsContact O-CB 3.29Å; E220-F223 WeakPolarHBondContact O-CB 3.34Å; E220-F223 PolarHBondContact O-N 3.26Å; E220-F223 PolarHBondContact OE1-N 3.43Å; V221-F223 PolarHBondContact O-N 3.05Å; V221-F223 VanDerWaalsContact O-N 3.09Å; F223-K226 PolarHBondContact O-N 3.45Å; F223-N227 WeakPolarHBondContact CD2-ND2 3.43Å; F223-N227 HydrophobicContact CE1-CB 4.37Å; F223-N227 HydrophobicContact CE2-CB 4.47Å; F223-N227 VanDerWaalsContact CE2-ND2 3.32Å; F223-N227 WeakPolarHBondContact CE2-ND2 3.39Å; F223-N227 HydrophobicContact CZ-CB 4.2Å; F223-N227 WeakPolarHBondContact O-CB 3.45Å; F223-N227 PolarHBondContact O-N 3.44Å; F223-N227 PolarHBondContact O-ND2 2.72Å; F223-L232 HydrophobicContact CE1-CD1 3.9Å; F223-L232 HydrophobicContact CE1-CD2 3.91Å; F223-L232 HydrophobicContact CZ-CD2 3.74Å; F223-L429 HydrophobicContact CE2-CD2 4.03Å; F223-L429 HydrophobicContact CZ-CD2 3.57Å
224	F	94.8	Very high	92.4	Very high	75 Å²	75	62.5 Å²	62.5	33%	0.329	32%	0.318	S	S	.	.	H	α-helix	trans	-70.8	-34.1	-179.4	-65.7	-84.8	0	0	0	112.5	V216 Q219 V221 K226 N227 L232	V216-F224 HydrophobicContact CG1-CE1 3.79Å; V216-F224 HydrophobicContact CG1-CZ 3.82Å; V216-F224 VanDerWaalsContact O-CZ 3.29Å; V216-F224 WeakPolarHBondContact O-CZ 3.24Å; Q219-F224 HydrophobicContact CB-CE2 4.3Å; V221-F224 PolarHBondContact O-N 3.34Å; F224-K226 PolarHBondContact O-N 2.93Å; F224-N227 PolarHBondContact O-N 3.45Å; F224-N227 VanDerWaalsContact O-O 3.13Å; F224-L232 HydrophobicContact CD1-CD1 3.92Å; F224-L232 HydrophobicContact CE1-CD1 3.9Å
225	D	91.3	Very high	92.2	Very high	69 Å²	69	60.9 Å²	60.9	37%	0.369	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.5	170.4	-77.7	-0.4	0	0	0	113	V221 T464 Y505	V221-D225 PolarHBondContact O-N 2.86Å; D225-T464 HydrophobicContact CB-CG2 3.68Å; D225-Y505 PolarHBondContact OD2-OH 3.47Å
226	K	89.1	Confident	92.2	Very high	117 Å²	117	62 Å²	62	51%	0.509	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-26.2	-176.4	-66.6	170.5	-172.4	168.3	0	113.1	A222 F223 F224 P463 T464	A222-K226 VanDerWaalsContact O-CD 3.29Å; A222-K226 WeakPolarHBondContact O-CD 3.4Å; A222-K226 WeakPolarHBondContact O-CG 3.39Å; F223-K226 PolarHBondContact O-N 3.45Å; F224-K226 PolarHBondContact O-N 2.93Å; K226-P463 VanDerWaalsContact CE-O 3.25Å; K226-P463 WeakPolarHBondContact CE-O 3.38Å; K226-T464 HydrophobicContact CG-CG2 3.86Å
227	N	90.4	Very high	92.1	Very high	37 Å²	37	63.7 Å²	63.7	20%	0.198	32%	0.321	C	S	.	.	S	Bend	trans	-114.3	117.5	-171.3	-70	-90	0	0	0	111.5	F223 F224 T229 L232	F223-N227 WeakPolarHBondContact CD2-ND2 3.43Å; F223-N227 HydrophobicContact CE1-CB 4.37Å; F223-N227 HydrophobicContact CE2-CB 4.47Å; F223-N227 VanDerWaalsContact CE2-ND2 3.32Å; F223-N227 WeakPolarHBondContact CE2-ND2 3.39Å; F223-N227 HydrophobicContact CZ-CB 4.2Å; F223-N227 WeakPolarHBondContact O-CB 3.45Å; F223-N227 PolarHBondContact O-N 3.44Å; F223-N227 PolarHBondContact O-ND2 2.72Å; F224-N227 PolarHBondContact O-N 3.45Å; F224-N227 VanDerWaalsContact O-O 3.13Å; N227-T229 PolarHBondContact O-N 3.19Å; N227-L232 HydrophobicContact CB-CD1 4.38Å; N227-L232 HydrophobicContact CB-CD2 4.2Å; N227-L232 HydrophobicContact CB-CG 4.4Å
228	R	90.5	Very high	92	Very high	178 Å²	178	61.9 Å²	61.9	67%	0.672	32%	0.317	S	S	*	.			trans	-62.7	128.7	-179	-64.1	-178.8	178.5	-166.1	-2	110.7	G230 E231 L232	R228-G230 PolarHBondContact O-N 2.88Å; R228-G230 VanDerWaalsContact O-N 3.11Å; R228-E231 WeakPolarHBondContact O-CA 3.45Å; R228-E231 WeakPolarHBondContact O-CB 3.32Å; R228-E231 PolarHBondContact O-N 3.47Å; R228-L232 PolarHBondContact O-N 3.38Å
229	T	90.5	Very high	92.1	Very high	104 Å²	104	55.4 Å²	55.4	64%	0.638	29%	0.294	S	S	*	.	H	α-helix	trans	-51.7	-39.2	180	-43	0	0	0	0	113.1	N227 E231 L232 I233	N227-T229 PolarHBondContact O-N 3.19Å; T229-E231 VanDerWaalsContact C-N 3.29Å; T229-E231 PolarHBondContact O-N 2.77Å; T229-L232 PolarHBondContact O-N 2.8Å; T229-I233 WeakPolarHBondContact O-CG1 3.36Å; T229-I233 PolarHBondContact O-N 3.29Å
230	G	88.1	Confident	92.1	Very high	46 Å²	46	54.8 Å²	54.8	47%	0.474	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-31.4	175.9	0	0	0	0	0	114.2	R228 N234	R228-G230 PolarHBondContact O-N 2.88Å; R228-G230 VanDerWaalsContact O-N 3.11Å; G230-N234 WeakPolarHBondContact O-CB 3.44Å; G230-N234 PolarHBondContact O-N 3.33Å; G230-N234 PolarHBondContact O-ND2 3.26Å
231	E	88.6	Confident	92.1	Very high	76 Å²	76	57.2 Å²	57.2	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-71.1	-44.3	173.5	-166.7	-171.2	141.8	0	0	111.1	R228 T229 I233 N234 R235	R228-E231 WeakPolarHBondContact O-CA 3.45Å; R228-E231 WeakPolarHBondContact O-CB 3.32Å; R228-E231 PolarHBondContact O-N 3.47Å; T229-E231 VanDerWaalsContact C-N 3.29Å; T229-E231 PolarHBondContact O-N 2.77Å; E231-I233 VanDerWaalsContact C-N 3.28Å; E231-I233 PolarHBondContact O-N 3.29Å; E231-N234 PolarHBondContact O-N 2.83Å; E231-N234 VanDerWaalsContact O-N 3.08Å; E231-R235 WeakPolarHBondContact O-CG 3.39Å; E231-R235 PolarHBondContact O-N 3Å; E231-R235 IonicContact OE1-CZ 3.77Å; E231-R235 VanDerWaalsContact OE1-CZ 3.22Å; E231-R235 IonicContact OE1-NE 2.7Å; E231-R235 PolarHBondContact OE1-NE 3.34Å; E231-R235 IonicContact OE1-NH2 3.68Å; E231-R235 PolarHBondContact OE1-NH2 3.42Å
232	L	93.4	Very high	92.1	Very high	13 Å²	13	57 Å²	57	7%	0.068	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-39.1	176.6	-58.7	178.5	0	0	0	111.4	V216 F223 F224 N227 R228 T229 L236 L429	V216-L232 HydrophobicContact CG1-CD1 4.23Å; F223-L232 HydrophobicContact CE1-CD1 3.9Å; F223-L232 HydrophobicContact CE1-CD2 3.91Å; F223-L232 HydrophobicContact CZ-CD2 3.74Å; F224-L232 HydrophobicContact CD1-CD1 3.92Å; F224-L232 HydrophobicContact CE1-CD1 3.9Å; N227-L232 HydrophobicContact CB-CD1 4.38Å; N227-L232 HydrophobicContact CB-CD2 4.2Å; N227-L232 HydrophobicContact CB-CG 4.4Å; R228-L232 PolarHBondContact O-N 3.38Å; T229-L232 PolarHBondContact O-N 2.8Å; L232-L236 VanDerWaalsContact O-CB 3.27Å; L232-L236 WeakPolarHBondContact O-CB 3.48Å; L232-L236 PolarHBondContact O-N 2.82Å; L232-L429 HydrophobicContact CD2-CD2 4.32Å
233	I	93.5	Very high	92.1	Very high	95 Å²	95	57.1 Å²	57.1	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-67.1	-39.1	173	-65.8	-63.9	0	0	0	111.8	T229 E231 L236 S237	T229-I233 WeakPolarHBondContact O-CG1 3.36Å; T229-I233 PolarHBondContact O-N 3.29Å; E231-I233 VanDerWaalsContact C-N 3.28Å; E231-I233 PolarHBondContact O-N 3.29Å; I233-L236 PolarHBondContact O-N 3.28Å; I233-S237 VanDerWaalsContact O-CB 3.29Å; I233-S237 WeakPolarHBondContact O-CB 3.23Å; I233-S237 PolarHBondContact O-N 3.43Å; I233-S237 PolarHBondContact O-OG 2.84Å
234	N	91.2	Very high	91.9	Very high	100 Å²	100	56.8 Å²	56.8	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-66	-42.2	175.3	-76.4	-20.5	0	0	0	112.2	G230 E231 S237 S238 D239	G230-N234 WeakPolarHBondContact O-CB 3.44Å; G230-N234 PolarHBondContact O-N 3.33Å; G230-N234 PolarHBondContact O-ND2 3.26Å; E231-N234 PolarHBondContact O-N 2.83Å; E231-N234 VanDerWaalsContact O-N 3.08Å; N234-S237 PolarHBondContact O-N 3.4Å; N234-S238 WeakPolarHBondContact O-CA 3.32Å; N234-S238 VanDerWaalsContact O-CB 3.3Å; N234-S238 WeakPolarHBondContact O-CB 3.5Å; N234-S238 PolarHBondContact O-N 2.98Å; N234-D239 PolarHBondContact O-N 2.78Å
235	R	90.9	Very high	91.7	Very high	16 Å²	16	57.5 Å²	57.5	6%	0.06	31%	0.31	C	S	.	.	I	π-helix	trans	-60.5	-48.1	172.4	-69.1	177.8	-176.8	-136.4	12.9	110.6	E231 S237 D239 T240 R425 L426 E428 L429	E231-R235 WeakPolarHBondContact O-CG 3.39Å; E231-R235 PolarHBondContact O-N 3Å; E231-R235 IonicContact OE1-CZ 3.77Å; E231-R235 VanDerWaalsContact OE1-CZ 3.22Å; E231-R235 IonicContact OE1-NE 2.7Å; E231-R235 PolarHBondContact OE1-NE 3.34Å; E231-R235 IonicContact OE1-NH2 3.68Å; E231-R235 PolarHBondContact OE1-NH2 3.42Å; R235-S237 PolarHBondContact O-N 2.87Å; R235-D239 WeakPolarHBondContact O-CB 3.37Å; R235-D239 PolarHBondContact O-N 2.6Å; R235-T240 PolarHBondContact O-N 3.41Å; R235-R425 PolarHBondContact NH1-O 3.17Å; R235-L426 HydrophobicContact CB-CD2 4.22Å; R235-E428 IonicContact CZ-OE2 2.67Å; R235-E428 VanDerWaalsContact CZ-OE2 3.32Å; R235-E428 IonicContact NH1-OE2 2.75Å; R235-E428 PolarHBondContact NH1-OE2 3.49Å; R235-E428 IonicContact NH2-OE2 3.46Å; R235-E428 PolarHBondContact NH2-OE2 2.77Å; R235-L429 HydrophobicContact CB-CD1 4.24Å
236	L	94.2	Very high	91.6	Very high	37 Å²	37	54.6 Å²	54.6	19%	0.194	30%	0.295	C	S	.	.	I	π-helix	trans	-65.2	-36.9	180	-177.5	62.4	0	0	0	113.4	R209 V212 F213 L232 I233 T240	R209-L236 HydrophobicContact CB-CD1 4.13Å; R209-L236 HydrophobicContact CG-CD1 4.16Å; R209-L236 WeakPolarHBondContact CG-O 3.39Å; R209-L236 PolarHBondContact NE-O 2.89Å; R209-L236 WeakPolarHBondContact O-CD1 3.49Å; V212-L236 HydrophobicContact CB-CD1 4.12Å; V212-L236 HydrophobicContact CG1-CD1 4.03Å; F213-L236 HydrophobicContact CB-CD1 4.2Å; F213-L236 HydrophobicContact CB-CD2 4.49Å; F213-L236 HydrophobicContact CD2-CD2 3.97Å; L232-L236 VanDerWaalsContact O-CB 3.27Å; L232-L236 WeakPolarHBondContact O-CB 3.48Å; L232-L236 PolarHBondContact O-N 2.82Å; I233-L236 PolarHBondContact O-N 3.28Å; L236-T240 VanDerWaalsContact O-CG2 3.28Å; L236-T240 WeakPolarHBondContact O-CG2 3.27Å; L236-T240 PolarHBondContact O-OG1 3.48Å
237	S	92.8	Very high	91.5	Very high	51 Å²	51	49.5 Å²	49.5	36%	0.357	27%	0.274	S	S	.	.	I	π-helix	trans	-91.3	-54.3	-175.2	58.5	0	0	0	0	113.5	R209 I233 N234 R235 T240	R209-S237 PolarHBondContact NH2-O 3.21Å; I233-S237 VanDerWaalsContact O-CB 3.29Å; I233-S237 WeakPolarHBondContact O-CB 3.23Å; I233-S237 PolarHBondContact O-N 3.43Å; I233-S237 PolarHBondContact O-OG 2.84Å; N234-S237 PolarHBondContact O-N 3.4Å; R235-S237 PolarHBondContact O-N 2.87Å; S237-T240 PolarHBondContact O-OG1 2.43Å
238	S	93.3	Very high	91.6	Very high	64 Å²	64	47.8 Å²	47.8	45%	0.448	27%	0.265	S	S	.	.	I	π-helix	trans	-85.7	-55.4	-172.4	-169.6	0	0	0	0	111.7	N234 T240 S241 V242	N234-S238 WeakPolarHBondContact O-CA 3.32Å; N234-S238 VanDerWaalsContact O-CB 3.3Å; N234-S238 WeakPolarHBondContact O-CB 3.5Å; N234-S238 PolarHBondContact O-N 2.98Å; S238-T240 VanDerWaalsContact C-N 3.32Å; S238-T240 PolarHBondContact O-N 2.98Å; S238-S241 WeakPolarHBondContact O-CA 3.46Å; S238-S241 WeakPolarHBondContact O-CB 3.36Å; S238-S241 PolarHBondContact O-N 3.11Å; S238-V242 WeakPolarHBondContact O-CG2 3.46Å; S238-V242 PolarHBondContact O-N 3.4Å
239	D	93.4	Very high	91.5	Very high	14 Å²	14	41.1 Å²	41.1	8%	0.075	24%	0.242	C	C	.	.	I	π-helix	trans	-62.7	-38.2	-174.9	-72.5	-22.6	0	0	0	111.9	N234 R235 S241 V242 V243 A422 R425 L426	N234-D239 PolarHBondContact O-N 2.78Å; R235-D239 WeakPolarHBondContact O-CB 3.37Å; R235-D239 PolarHBondContact O-N 2.6Å; D239-S241 VanDerWaalsContact C-N 3.27Å; D239-S241 PolarHBondContact O-N 2.69Å; D239-V242 PolarHBondContact O-N 2.99Å; D239-V243 WeakPolarHBondContact O-CB 3.28Å; D239-V243 VanDerWaalsContact O-CG2 3.29Å; D239-V243 WeakPolarHBondContact O-CG2 3.44Å; D239-V243 PolarHBondContact O-N 3.35Å; D239-A422 HydrophobicContact CB-CB 3.83Å; D239-R425 VanDerWaalsContact CG-NH2 3.27Å; D239-R425 IonicContact OD1-CZ 3.4Å; D239-R425 IonicContact OD1-NE 2.67Å; D239-R425 IonicContact OD1-NH2 3.81Å; D239-R425 PolarHBondContact OD1-NH2 3.38Å; D239-R425 IonicContact OD2-CZ 3.94Å; D239-R425 IonicContact OD2-NE 3.45Å; D239-R425 PolarHBondContact OD2-NE 3.01Å; D239-R425 IonicContact OD2-NH2 3.63Å; D239-R425 PolarHBondContact OD2-NH2 3.06Å; D239-R425 VanDerWaalsContact OD2-NH2 3.16Å; D239-L426 HydrophobicContact CB-CD1 4.46Å; D239-L426 HydrophobicContact CB-CD2 4.04Å; D239-L426 HydrophobicContact CB-CG 4.23Å
240	T	94.1	Very high	91.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-37.4	172.8	60.8	0	0	0	0	112.8	L208 R209 V212 R235 L236 S237 S238 G244 L426	L208-T240 HydrophobicContact CB-CG2 4.19Å; R209-T240 HydrophobicContact CG-CG2 3.93Å; R209-T240 WeakPolarHBondContact CG-OG1 3.43Å; R209-T240 PolarHBondContact NE-OG1 2.64Å; V212-T240 HydrophobicContact CG2-CG2 4.38Å; R235-T240 PolarHBondContact O-N 3.41Å; L236-T240 VanDerWaalsContact O-CG2 3.28Å; L236-T240 WeakPolarHBondContact O-CG2 3.27Å; L236-T240 PolarHBondContact O-OG1 3.48Å; S237-T240 PolarHBondContact O-OG1 2.43Å; S238-T240 VanDerWaalsContact C-N 3.32Å; S238-T240 PolarHBondContact O-N 2.98Å; T240-G244 PolarHBondContact O-N 3.5Å; T240-L426 HydrophobicContact CG2-CD1 3.9Å; T240-L426 HydrophobicContact CG2-CD2 4.33Å
241	S	94.1	Very high	91.7	Very high	55 Å²	55	38.8 Å²	38.8	39%	0.385	21%	0.214	S	C	.	.	H	α-helix	trans	-73.3	-41.4	178.8	-157.6	0	0	0	0	111.8	S238 D239 G244 H245	S238-S241 WeakPolarHBondContact O-CA 3.46Å; S238-S241 WeakPolarHBondContact O-CB 3.36Å; S238-S241 PolarHBondContact O-N 3.11Å; D239-S241 VanDerWaalsContact C-N 3.27Å; D239-S241 PolarHBondContact O-N 2.69Å; S241-G244 PolarHBondContact O-N 2.94Å; S241-H245 WeakPolarHBondContact O-CB 3.41Å; S241-H245 PolarHBondContact O-N 3.25Å
242	V	93.6	Very high	91.9	Very high	44 Å²	44	35.3 Å²	35.3	27%	0.267	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-45.2	176	172.7	0	0	0	0	110.3	S238 D239 S246 K418 A422	S238-V242 WeakPolarHBondContact O-CG2 3.46Å; S238-V242 PolarHBondContact O-N 3.4Å; D239-V242 PolarHBondContact O-N 2.99Å; V242-S246 VanDerWaalsContact O-CB 3.24Å; V242-S246 WeakPolarHBondContact O-CB 3.49Å; V242-S246 PolarHBondContact O-N 2.88Å; V242-S246 PolarHBondContact O-OG 2.95Å; V242-K418 HydrophobicContact CG1-CB 4.08Å; V242-A422 HydrophobicContact CB-CB 4.16Å; V242-A422 HydrophobicContact CG1-CB 3.94Å
243	V	91.6	Very high	91.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-50	175.9	172.2	0	0	0	0	111	L122 L208 D239 H245 S246 I247 A422 L426	L122-V243 HydrophobicContact CD1-CG1 4.4Å; L208-V243 HydrophobicContact CD1-CB 4.23Å; L208-V243 HydrophobicContact CD1-CG1 3.81Å; D239-V243 WeakPolarHBondContact O-CB 3.28Å; D239-V243 VanDerWaalsContact O-CG2 3.29Å; D239-V243 WeakPolarHBondContact O-CG2 3.44Å; D239-V243 PolarHBondContact O-N 3.35Å; V243-H245 PolarHBondContact O-N 3.3Å; V243-S246 WeakPolarHBondContact O-CB 3.4Å; V243-S246 PolarHBondContact O-N 2.9Å; V243-I247 HydrophobicContact CG1-CD1 3.77Å; V243-I247 WeakPolarHBondContact O-CD1 3.47Å; V243-I247 WeakPolarHBondContact O-CG1 3.21Å; V243-I247 PolarHBondContact O-N 3.32Å; V243-A422 HydrophobicContact CG2-CB 3.86Å; V243-L426 HydrophobicContact CB-CD1 4.5Å; V243-L426 HydrophobicContact CG2-CD1 4.05Å
244	G	90	Very high	91.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-51.9	179.6	0	0	0	0	0	113.4	T240 S241 S246 I247 T248	T240-G244 PolarHBondContact O-N 3.5Å; S241-G244 PolarHBondContact O-N 2.94Å; G244-S246 VanDerWaalsContact C-N 3.3Å; G244-S246 PolarHBondContact O-N 2.95Å; G244-I247 PolarHBondContact O-N 3.3Å; G244-I247 VanDerWaalsContact O-N 3.12Å; G244-T248 PolarHBondContact O-N 3.32Å
245	H	90.6	Very high	91.7	Very high	90 Å²	90	32.4 Å²	32.4	42%	0.417	18%	0.184	S	C	.	.	H	α-helix	trans	-63.7	-33	179.1	-177.3	69.3	0	0	0	113	S241 V243 I247 D249 N250	S241-H245 WeakPolarHBondContact O-CB 3.41Å; S241-H245 PolarHBondContact O-N 3.25Å; V243-H245 PolarHBondContact O-N 3.3Å; H245-I247 PolarHBondContact O-N 3.15Å; H245-D249 IonicContact CE1-OD2 3.56Å; H245-D249 PolarHBondContact CE1-OD2 3.15Å; H245-D249 IonicContact CG-OD2 2.69Å; H245-D249 IonicContact ND1-OD2 3.35Å; H245-D249 PolarHBondContact ND1-OD2 2.91Å; H245-D249 PolarHBondContact O-N 2.75Å; H245-N250 WeakPolarHBondContact O-CB 3.34Å; H245-N250 PolarHBondContact O-N 3.47Å; H245-N250 VanDerWaalsContact O-N 3.1Å
246	S	90.3	Very high	91.8	Very high	8 Å²	8	33.6 Å²	33.6	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-28.2	175.4	-63.9	0	0	0	0	113.2	V242 V243 G244 E415 G419	V242-S246 VanDerWaalsContact O-CB 3.24Å; V242-S246 WeakPolarHBondContact O-CB 3.49Å; V242-S246 PolarHBondContact O-N 2.88Å; V242-S246 PolarHBondContact O-OG 2.95Å; V243-S246 WeakPolarHBondContact O-CB 3.4Å; V243-S246 PolarHBondContact O-N 2.9Å; G244-S246 VanDerWaalsContact C-N 3.3Å; G244-S246 PolarHBondContact O-N 2.95Å; S246-E415 PolarHBondContact OG-O 3.48Å; S246-G419 WeakPolarHBondContact OG-CA 3.24Å
247	I	87.6	Confident	91.7	Very high	11 Å²	11	32 Å²	32	6%	0.056	18%	0.18	C	C	.	.	H	α-helix	trans	-91.6	-30.4	-174.9	-61.2	167.9	0	0	0	111.9	I119 L122 A123 I204 V243 G244 H245 L251	I119-I247 HydrophobicContact CB-CD1 4.28Å; I119-I247 HydrophobicContact CG1-CD1 4.04Å; I119-I247 HydrophobicContact CG1-CG1 4.49Å; I119-I247 HydrophobicContact CG2-CD1 3.82Å; I119-I247 HydrophobicContact CG2-CG1 3.69Å; I119-I247 HydrophobicContact CG2-CG2 4.43Å; L122-I247 HydrophobicContact CD1-CD1 3.99Å; A123-I247 HydrophobicContact CB-CG2 4.02Å; I204-I247 HydrophobicContact CD1-CG2 4.42Å; V243-I247 HydrophobicContact CG1-CD1 3.77Å; V243-I247 WeakPolarHBondContact O-CD1 3.47Å; V243-I247 WeakPolarHBondContact O-CG1 3.21Å; V243-I247 PolarHBondContact O-N 3.32Å; G244-I247 PolarHBondContact O-N 3.3Å; G244-I247 VanDerWaalsContact O-N 3.12Å; H245-I247 PolarHBondContact O-N 3.15Å; I247-L251 VanDerWaalsContact O-CB 3.26Å; I247-L251 WeakPolarHBondContact O-CB 3.47Å; I247-L251 WeakPolarHBondContact O-CD2 3.43Å
248	T	91.3	Very high	91.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-75.9	-178	63.9	0	0	0	0	112.3	L130 M197 I204 G244 L251 S252	L130-T248 HydrophobicContact CD2-CG2 3.87Å; M197-T248 WeakPolarHBondContact O-CB 3.35Å; M197-T248 PolarHBondContact O-OG1 3.06Å; I204-T248 HydrophobicContact CD1-CG2 3.95Å; G244-T248 PolarHBondContact O-N 3.32Å; T248-L251 PolarHBondContact O-N 3.35Å; T248-S252 WeakPolarHBondContact O-CB 3.5Å; T248-S252 PolarHBondContact O-N 3.42Å
249	D	89	Confident	91.7	Very high	38 Å²	38	31.7 Å²	31.7	20%	0.203	18%	0.178	C	C	.	.	H	α-helix	trans	-76.4	-44.6	-163.8	-41.7	-37.6	0	0	0	109.9	M197 E198 H245 L251 S252 D253	M197-D249 WeakPolarHBondContact CB-OD1 3.27Å; E198-D249 PolarHBondContact N-OD1 3.2Å; H245-D249 IonicContact CE1-OD2 3.56Å; H245-D249 PolarHBondContact CE1-OD2 3.15Å; H245-D249 IonicContact CG-OD2 2.69Å; H245-D249 IonicContact ND1-OD2 3.35Å; H245-D249 PolarHBondContact ND1-OD2 2.91Å; H245-D249 PolarHBondContact O-N 2.75Å; D249-L251 VanDerWaalsContact C-N 3.35Å; D249-L251 PolarHBondContact O-N 2.69Å; D249-S252 WeakPolarHBondContact O-CB 3.47Å; D249-S252 PolarHBondContact O-N 3.08Å; D249-D253 PolarHBondContact O-N 2.92Å
250	N	91.8	Very high	91.7	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.064	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-43.2	174.1	-175	52.8	0	0	0	111.7	H245 S252 D253 G254 F412 L416	H245-N250 WeakPolarHBondContact O-CB 3.34Å; H245-N250 PolarHBondContact O-N 3.47Å; H245-N250 VanDerWaalsContact O-N 3.1Å; N250-S252 VanDerWaalsContact C-N 3.33Å; N250-S252 PolarHBondContact O-N 3.43Å; N250-D253 PolarHBondContact O-N 3.08Å; N250-G254 PolarHBondContact O-N 2.83Å; N250-F412 WeakPolarHBondContact ND2-CD2 3.33Å; N250-F412 PolarHBondContact ND2-O 2.91Å; N250-F412 WeakPolarHBondContact O-CD2 3.33Å; N250-F412 WeakPolarHBondContact OD1-CA 3.47Å; N250-L416 PolarHBondContact ND2-N 2.85Å
251	L	90.6	Very high	91.6	Very high	89 Å²	89	32.8 Å²	32.8	47%	0.466	19%	0.186	S	C	.	.	H	α-helix	trans	-64.6	-38.5	175.9	-176.3	61.4	0	0	0	111.7	I247 T248 D249 L255 F412	I247-L251 VanDerWaalsContact O-CB 3.26Å; I247-L251 WeakPolarHBondContact O-CB 3.47Å; I247-L251 WeakPolarHBondContact O-CD2 3.43Å; T248-L251 PolarHBondContact O-N 3.35Å; D249-L251 VanDerWaalsContact C-N 3.35Å; D249-L251 PolarHBondContact O-N 2.69Å; L251-L255 VanDerWaalsContact O-CB 3.26Å; L251-L255 WeakPolarHBondContact O-CB 3.31Å; L251-L255 PolarHBondContact O-N 3.3Å; L251-F412 HydrophobicContact CD1-CE2 4.24Å; L251-F412 HydrophobicContact CD1-CZ 4.28Å
252	S	92.3	Very high	91.6	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-41.8	176.1	-160.8	0	0	0	0	112.2	L137 R193 T248 D249 N250 R256	L137-S252 VanDerWaalsContact CD2-O 3.28Å; L137-S252 WeakPolarHBondContact CD2-O 3.29Å; R193-S252 PolarHBondContact NH1-OG 3.49Å; T248-S252 WeakPolarHBondContact O-CB 3.5Å; T248-S252 PolarHBondContact O-N 3.42Å; D249-S252 WeakPolarHBondContact O-CB 3.47Å; D249-S252 PolarHBondContact O-N 3.08Å; N250-S252 VanDerWaalsContact C-N 3.33Å; N250-S252 PolarHBondContact O-N 3.43Å; S252-R256 WeakPolarHBondContact O-CB 3.38Å; S252-R256 PolarHBondContact O-N 3.4Å
253	D	89.5	Confident	91.6	Very high	74 Å²	74	33.4 Å²	33.4	40%	0.396	19%	0.192	S	C	.	.	H	α-helix	trans	-76.6	-30.2	178.4	-73.8	-13.7	0	0	0	112.5	R193 D249 N250 R256 A257	R193-D253 IonicContact CZ-OD1 2.65Å; R193-D253 VanDerWaalsContact CZ-OD1 3.23Å; R193-D253 IonicContact NH1-OD1 2.67Å; R193-D253 PolarHBondContact NH1-OD1 2.92Å; R193-D253 IonicContact NH2-OD1 3.47Å; R193-D253 PolarHBondContact NH2-OD1 3.36Å; D249-D253 PolarHBondContact O-N 2.92Å; N250-D253 PolarHBondContact O-N 3.08Å; D253-R256 WeakPolarHBondContact O-CB 3.45Å; D253-R256 PolarHBondContact O-N 3.2Å; D253-R256 IonicContact OD1-NH1 3.7Å; D253-A257 WeakPolarHBondContact O-CB 3.47Å; D253-A257 PolarHBondContact O-N 3.01Å
254	G	93.1	Very high	91.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-47.3	167.6	0	0	0	0	0	112.5	N250 R256 A257 V258 F412	N250-G254 PolarHBondContact O-N 2.83Å; G254-R256 VanDerWaalsContact C-N 3.31Å; G254-R256 PolarHBondContact O-N 3.38Å; G254-A257 WeakPolarHBondContact O-CB 3.23Å; G254-A257 PolarHBondContact O-N 3.11Å; G254-V258 WeakPolarHBondContact O-CG2 3.31Å; G254-V258 PolarHBondContact O-N 2.85Å; G254-F412 VanDerWaalsContact CA-CG 3.46Å
255	L	92.8	Very high	92	Very high	73 Å²	73	36.2 Å²	36.2	38%	0.382	21%	0.209	S	C	.	.	H	α-helix	trans	-65.2	-35	175.6	-175.9	58.4	0	0	0	111.7	V134 L137 L251 V258 A259	V134-L255 HydrophobicContact CG1-CD2 3.88Å; V134-L255 HydrophobicContact CG2-CD2 4.07Å; L137-L255 HydrophobicContact CD2-CB 3.93Å; L137-L255 HydrophobicContact CD2-CD2 3.99Å; L137-L255 HydrophobicContact CD2-CG 3.9Å; L251-L255 VanDerWaalsContact O-CB 3.26Å; L251-L255 WeakPolarHBondContact O-CB 3.31Å; L251-L255 PolarHBondContact O-N 3.3Å; L255-V258 PolarHBondContact O-N 3.16Å; L255-A259 WeakPolarHBondContact O-CB 3.19Å; L255-A259 PolarHBondContact O-N 3.44Å
256	R	91.6	Very high	92.2	Very high	41 Å²	41	35.3 Å²	35.3	16%	0.155	21%	0.213	C	C	.	.	H	α-helix	trans	-58.8	-50.1	169.1	180	167.1	-82.1	170.6	-10.6	111.4	L137 S140 N190 R193 S252 D253 G254 V258 A259 Q260	L137-R256 HydrophobicContact CD1-CB 3.58Å; L137-R256 HydrophobicContact CD1-CG 4Å; L137-R256 VanDerWaalsContact CD1-NE 3.29Å; S140-R256 PolarHBondContact OG-NH2 3.25Å; N190-R256 PolarHBondContact OD1-NH1 3.46Å; N190-R256 PolarHBondContact OD1-NH2 3.3Å; R193-R256 VanDerWaalsContact CZ-NH1 3.33Å; S252-R256 WeakPolarHBondContact O-CB 3.38Å; S252-R256 PolarHBondContact O-N 3.4Å; D253-R256 WeakPolarHBondContact O-CB 3.45Å; D253-R256 PolarHBondContact O-N 3.2Å; D253-R256 IonicContact OD1-NH1 3.7Å; G254-R256 VanDerWaalsContact C-N 3.31Å; G254-R256 PolarHBondContact O-N 3.38Å; R256-V258 VanDerWaalsContact C-N 3.34Å; R256-V258 PolarHBondContact O-N 2.8Å; R256-A259 PolarHBondContact O-N 3.1Å; R256-Q260 HydrophobicContact CG-CG 4.3Å; R256-Q260 WeakPolarHBondContact O-CB 3.32Å; R256-Q260 WeakPolarHBondContact O-CG 3.44Å; R256-Q260 PolarHBondContact O-N 2.93Å
257	A	93.5	Very high	92.4	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-41.2	-179.7	0	0	0	0	0	111.8	D253 G254 A261 S405 L409	D253-A257 WeakPolarHBondContact O-CB 3.47Å; D253-A257 PolarHBondContact O-N 3.01Å; G254-A257 WeakPolarHBondContact O-CB 3.23Å; G254-A257 PolarHBondContact O-N 3.11Å; A257-A261 WeakPolarHBondContact O-CB 3.35Å; A257-A261 PolarHBondContact O-N 3.05Å; A257-S405 WeakPolarHBondContact CB-O 3.34Å; A257-S405 WeakPolarHBondContact O-CB 3.43Å; A257-L409 HydrophobicContact CB-CB 4.23Å
258	V	93.8	Very high	92.8	Very high	66 Å²	66	37.1 Å²	37.1	40%	0.4	22%	0.221	S	C	.	.	H	α-helix	trans	-62.2	-49.4	172.6	175.2	0	0	0	0	111.2	G254 L255 R256 Q260 A261 V262 L409	G254-V258 WeakPolarHBondContact O-CG2 3.31Å; G254-V258 PolarHBondContact O-N 2.85Å; L255-V258 PolarHBondContact O-N 3.16Å; R256-V258 VanDerWaalsContact C-N 3.34Å; R256-V258 PolarHBondContact O-N 2.8Å; V258-Q260 PolarHBondContact O-N 2.87Å; V258-A261 PolarHBondContact O-N 3.24Å; V258-V262 HydrophobicContact CG1-CG2 4.33Å; V258-V262 WeakPolarHBondContact O-CB 3.49Å; V258-V262 WeakPolarHBondContact O-CG2 3.31Å; V258-V262 PolarHBondContact O-N 2.83Å; V258-L409 HydrophobicContact CG2-CD1 3.66Å
259	A	92	Very high	93	Very high	43 Å²	43	40.8 Å²	40.8	36%	0.355	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-39.6	-178.6	0	0	0	0	0	112.9	L255 R256 G263	L255-A259 WeakPolarHBondContact O-CB 3.19Å; L255-A259 PolarHBondContact O-N 3.44Å; R256-A259 PolarHBondContact O-N 3.1Å; A259-G263 PolarHBondContact O-N 3.44Å
260	Q	92.6	Very high	93.2	Very high	16 Å²	16	46.9 Å²	46.9	8%	0.075	26%	0.259	C	S	.	.	H	α-helix	trans	-75	-35.3	177.4	-69.7	-177.9	-32.8	0	0	112.5	M145 R256 V258 G264 S405	M145-Q260 HydrophobicContact CE-CB 4.24Å; M145-Q260 HydrophobicContact CE-CG 3.93Å; M145-Q260 HydrophobicContact CG-CG 4.26Å; M145-Q260 HydrophobicContact SD-CB 4.03Å; M145-Q260 HydrophobicContact SD-CG 4.08Å; R256-Q260 HydrophobicContact CG-CG 4.3Å; R256-Q260 WeakPolarHBondContact O-CB 3.32Å; R256-Q260 WeakPolarHBondContact O-CG 3.44Å; R256-Q260 PolarHBondContact O-N 2.93Å; V258-Q260 PolarHBondContact O-N 2.87Å; Q260-G264 WeakPolarHBondContact O-CA 3.5Å; Q260-G264 PolarHBondContact O-N 3.4Å; Q260-S405 WeakPolarHBondContact CB-OG 3.29Å
261	A	93.1	Very high	93.3	Very high	20 Å²	20	47.3 Å²	47.3	17%	0.165	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-49.2	172.2	0	0	0	0	0	111.4	A257 V258 V265 S405	A257-A261 WeakPolarHBondContact O-CB 3.35Å; A257-A261 PolarHBondContact O-N 3.05Å; V258-A261 PolarHBondContact O-N 3.24Å; A261-V265 WeakPolarHBondContact O-CB 3.12Å; A261-V265 VanDerWaalsContact O-CG2 3.26Å; A261-V265 WeakPolarHBondContact O-CG2 3.36Å; A261-V265 PolarHBondContact O-N 2.77Å; A261-S405 PolarHBondContact N-OG 3.41Å
262	V	93.8	Very high	93.5	Very high	88 Å²	88	43.5 Å²	43.5	53%	0.533	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-52.7	178.9	172.8	0	0	0	0	110.5	V258 G264 V265 S266	V258-V262 HydrophobicContact CG1-CG2 4.33Å; V258-V262 WeakPolarHBondContact O-CB 3.49Å; V258-V262 WeakPolarHBondContact O-CG2 3.31Å; V258-V262 PolarHBondContact O-N 2.83Å; V262-G264 PolarHBondContact O-N 3.3Å; V262-V265 PolarHBondContact O-N 3.17Å; V262-S266 WeakPolarHBondContact O-CB 3.36Å; V262-S266 PolarHBondContact O-N 3.04Å; V262-S266 PolarHBondContact O-OG 2.96Å; V262-S266 VanDerWaalsContact O-OG 3.12Å
263	G	93.5	Very high	93.5	Very high	24 Å²	24	47.3 Å²	47.3	25%	0.247	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-42.8	179.1	0	0	0	0	0	113	A259 M267	A259-G263 PolarHBondContact O-N 3.44Å; G263-M267 WeakPolarHBondContact O-CB 3.25Å; G263-M267 VanDerWaalsContact O-CG 3.31Å; G263-M267 WeakPolarHBondContact O-CG 3.11Å; G263-M267 PolarHBondContact O-N 3.43Å
264	G	94.5	Very high	93.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-45.7	177.2	0	0	0	0	0	113.1	Q260 V262 M267 M268	Q260-G264 WeakPolarHBondContact O-CA 3.5Å; Q260-G264 PolarHBondContact O-N 3.4Å; V262-G264 PolarHBondContact O-N 3.3Å; G264-M267 PolarHBondContact O-N 2.85Å; G264-M268 VanDerWaalsContact O-CG 3.28Å; G264-M268 WeakPolarHBondContact O-CG 3.47Å; G264-M268 PolarHBondContact O-N 2.98Å
265	V	94.6	Very high	93.7	Very high	60 Å²	60	46.3 Å²	46.3	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-42.5	176.7	170.9	0	0	0	0	111.2	A261 V262 M267 M268 F269 V402	A261-V265 WeakPolarHBondContact O-CB 3.12Å; A261-V265 VanDerWaalsContact O-CG2 3.26Å; A261-V265 WeakPolarHBondContact O-CG2 3.36Å; A261-V265 PolarHBondContact O-N 2.77Å; V262-V265 PolarHBondContact O-N 3.17Å; V265-M267 VanDerWaalsContact C-N 3.33Å; V265-M267 PolarHBondContact O-N 2.95Å; V265-M268 PolarHBondContact O-N 2.74Å; V265-F269 HydrophobicContact CG1-CD2 3.9Å; V265-F269 HydrophobicContact CG1-CE2 3.95Å; V265-F269 WeakPolarHBondContact O-CD2 3.37Å; V265-F269 PolarHBondContact O-N 2.87Å; V265-V402 HydrophobicContact CG2-CG1 3.83Å; V265-V402 HydrophobicContact CG2-CG2 3.87Å
266	S	95.1	Very high	93.7	Very high	72 Å²	72	43 Å²	43	50%	0.503	25%	0.249	S	C	.	.	H	α-helix	trans	-58.8	-43.8	173.7	-67.1	0	0	0	0	111.9	V262 F269 Y270	V262-S266 WeakPolarHBondContact O-CB 3.36Å; V262-S266 PolarHBondContact O-N 3.04Å; V262-S266 PolarHBondContact O-OG 2.96Å; V262-S266 VanDerWaalsContact O-OG 3.12Å; S266-F269 PolarHBondContact O-N 3.16Å; S266-Y270 WeakPolarHBondContact O-CB 3.28Å; S266-Y270 PolarHBondContact O-N 3.06Å
267	M	94.6	Very high	93.8	Very high	47 Å²	47	44.1 Å²	44.1	23%	0.232	26%	0.263	C	S	.	.	H	α-helix	trans	-68.8	-32.9	176.1	-71.8	-58.1	-63.7	0	0	113.1	F149 G263 G264 V265 Y270 V271 Y398	F149-M267 HydrophobicContact CB-CE 4.18Å; F149-M267 HydrophobicContact CD2-CE 3.98Å; F149-M267 HydrophobicContact CG-CE 4.29Å; G263-M267 WeakPolarHBondContact O-CB 3.25Å; G263-M267 VanDerWaalsContact O-CG 3.31Å; G263-M267 WeakPolarHBondContact O-CG 3.11Å; G263-M267 PolarHBondContact O-N 3.43Å; G264-M267 PolarHBondContact O-N 2.85Å; V265-M267 VanDerWaalsContact C-N 3.33Å; V265-M267 PolarHBondContact O-N 2.95Å; M267-Y270 HydrophobicContact CE-CD1 4.01Å; M267-Y270 PolarHBondContact O-N 2.67Å; M267-Y270 HydrophobicContact SD-CD1 4.47Å; M267-V271 WeakPolarHBondContact O-CB 3.37Å; M267-V271 VanDerWaalsContact O-CG2 3.32Å; M267-V271 WeakPolarHBondContact O-CG2 3.42Å; M267-V271 PolarHBondContact O-N 3Å; M267-Y398 HydrophobicContact CB-CD1 3.9Å; M267-Y398 HydrophobicContact CB-CD2 3.81Å; M267-Y398 HydrophobicContact CB-CE1 3.73Å; M267-Y398 HydrophobicContact CB-CE2 3.64Å; M267-Y398 HydrophobicContact CB-CG 3.97Å; M267-Y398 HydrophobicContact CE-CE2 4.01Å; M267-Y398 HydrophobicContact CG-CE1 3.9Å; M267-Y398 HydrophobicContact CG-CE2 4.21Å
268	M	95.1	Very high	93.8	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-44.3	172.3	-73.7	169.5	67.2	0	0	111.7	G264 V265 S272 A276 I279 F395 T399 V402	G264-M268 VanDerWaalsContact O-CG 3.28Å; G264-M268 WeakPolarHBondContact O-CG 3.47Å; G264-M268 PolarHBondContact O-N 2.98Å; V265-M268 PolarHBondContact O-N 2.74Å; M268-S272 CarbonylContact O-C 3.6Å; M268-S272 PolarHBondContact O-N 3.26Å; M268-A276 HydrophobicContact CB-CB 4.29Å; M268-I279 HydrophobicContact CE-CD1 3.67Å; M268-I279 HydrophobicContact CE-CG2 4.34Å; M268-F395 HydrophobicContact CB-CD2 4.24Å; M268-F395 HydrophobicContact CB-CE2 3.74Å; M268-F395 HydrophobicContact CB-CZ 4.44Å; M268-F395 HydrophobicContact CE-CE1 4.33Å; M268-F395 HydrophobicContact CE-CE2 4.17Å; M268-F395 HydrophobicContact CE-CZ 3.73Å; M268-F395 HydrophobicContact CG-CD2 4.31Å; M268-F395 HydrophobicContact CG-CE2 4.04Å; M268-F395 HydrophobicContact CG-CZ 4.49Å; M268-F395 WeakPolarHBondContact O-CE2 3.36Å; M268-T399 HydrophobicContact CE-CG2 4.45Å; M268-T399 WeakPolarHBondContact CE-OG1 3.41Å; M268-V402 HydrophobicContact SD-CB 4.35Å; M268-V402 HydrophobicContact SD-CG2 3.87Å
269	F	95.9	Very high	93.7	Very high	78 Å²	78	44 Å²	44	34%	0.342	26%	0.257	S	S	.	.	H	α-helix	trans	-67.9	-35.1	174.9	-85.1	-76.2	0	0	0	112.8	V265 S266 P273 A276 L280	V265-F269 HydrophobicContact CG1-CD2 3.9Å; V265-F269 HydrophobicContact CG1-CE2 3.95Å; V265-F269 WeakPolarHBondContact O-CD2 3.37Å; V265-F269 PolarHBondContact O-N 2.87Å; S266-F269 PolarHBondContact O-N 3.16Å; F269-P273 VanDerWaalsContact O-CD 3.24Å; F269-P273 WeakPolarHBondContact O-CD 3.16Å; F269-P273 WeakPolarHBondContact O-CG 3.46Å; F269-A276 HydrophobicContact CB-CB 4.49Å; F269-A276 HydrophobicContact CD1-CB 3.64Å; F269-A276 HydrophobicContact CD2-CB 4Å; F269-A276 HydrophobicContact CE1-CB 3.71Å; F269-A276 HydrophobicContact CE2-CB 4.07Å; F269-A276 HydrophobicContact CG-CB 3.78Å; F269-A276 HydrophobicContact CZ-CB 3.93Å; F269-L280 HydrophobicContact CZ-CD2 4.07Å
270	Y	94.7	Very high	93.6	Very high	166 Å²	166	47.1 Å²	47.1	65%	0.651	27%	0.267	S	S	*	.	H	α-helix	trans	-65.7	-45	174.7	177.4	-96.9	0	0	0	112.5	F149 S266 M267	F149-Y270 HydrophobicContact CE2-CE1 4.36Å; S266-Y270 WeakPolarHBondContact O-CB 3.28Å; S266-Y270 PolarHBondContact O-N 3.06Å; M267-Y270 HydrophobicContact CE-CD1 4.01Å; M267-Y270 PolarHBondContact O-N 2.67Å; M267-Y270 HydrophobicContact SD-CD1 4.47Å
271	V	92.8	Very high	93.6	Very high	21 Å²	21	52.7 Å²	52.7	13%	0.127	30%	0.295	C	S	.	.	H	α-helix	trans	-74.8	-37.7	179.6	174.2	0	0	0	0	111.9	M267 E391 F395	M267-V271 WeakPolarHBondContact O-CB 3.37Å; M267-V271 VanDerWaalsContact O-CG2 3.32Å; M267-V271 WeakPolarHBondContact O-CG2 3.42Å; M267-V271 PolarHBondContact O-N 3Å; V271-E391 HydrophobicContact CG1-CB 3.99Å; V271-E391 HydrophobicContact CG1-CG 4.4Å; V271-E391 WeakPolarHBondContact CG1-O 3.22Å; V271-F395 HydrophobicContact CG1-CB 4.06Å; V271-F395 HydrophobicContact CG1-CD2 4.45Å
272	S	94.3	Very high	93.5	Very high	8 Å²	8	53.7 Å²	53.7	6%	0.056	30%	0.297	C	S	.	.			trans	-160.1	103	174.9	-167.6	0	0	0	0	114	M268 S274 L275 A276 M387	M268-S272 CarbonylContact O-C 3.6Å; M268-S272 PolarHBondContact O-N 3.26Å; S272-S274 PolarHBondContact O-N 2.85Å; S272-L275 PolarHBondContact O-N 3.21Å; S272-L275 PolarHBondContact OG-N 3.01Å; S272-A276 VanDerWaalsContact O-CB 3.23Å; S272-A276 WeakPolarHBondContact O-CB 3.15Å; S272-A276 PolarHBondContact O-N 2.92Å; S272-M387 VanDerWaalsContact OG-CE 3.23Å; S272-M387 WeakPolarHBondContact OG-CE 3.31Å
273	P	93.8	Very high	93.3	Very high	82 Å²	82	51.5 Å²	51.5	53%	0.532	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-33.7	170.5	-25	34	0	0	0	113	F269 S277	F269-P273 VanDerWaalsContact O-CD 3.24Å; F269-P273 WeakPolarHBondContact O-CD 3.16Å; F269-P273 WeakPolarHBondContact O-CG 3.46Å; P273-S277 VanDerWaalsContact O-CB 3.28Å; P273-S277 WeakPolarHBondContact O-CB 3.49Å; P273-S277 PolarHBondContact O-N 3.09Å; P273-S277 PolarHBondContact O-OG 3.28Å
274	S	92.4	Very high	93.2	Very high	54 Å²	54	53.2 Å²	53.2	38%	0.378	29%	0.29	S	S	.	.	H	α-helix	trans	-72.3	-39.9	-178.6	-174.5	0	0	0	0	113	S272 F278 K377	S272-S274 PolarHBondContact O-N 2.85Å; S274-F278 WeakPolarHBondContact O-CB 3.42Å; S274-K377 PolarHBondContact O-NZ 3.29Å; S274-K377 WeakPolarHBondContact OG-CE 3.32Å; S274-K377 PolarHBondContact OG-NZ 3.26Å
275	L	92.6	Very high	93.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-78.3	-38.9	174.4	-62.5	-174	0	0	0	111.8	S272 S277 F278 I279 K377 L381 M387 L392 F395	S272-L275 PolarHBondContact O-N 3.21Å; S272-L275 PolarHBondContact OG-N 3.01Å; L275-S277 PolarHBondContact O-N 2.99Å; L275-F278 WeakPolarHBondContact O-CB 3.12Å; L275-F278 PolarHBondContact O-N 3.45Å; L275-I279 PolarHBondContact O-N 2.96Å; L275-K377 HydrophobicContact CD2-CB 3.92Å; L275-K377 HydrophobicContact CD2-CD 3.73Å; L275-K377 HydrophobicContact CD2-CG 3.65Å; L275-L381 HydrophobicContact CD2-CD1 3.71Å; L275-L381 HydrophobicContact CG-CD1 3.87Å; L275-M387 HydrophobicContact CD1-CE 3.67Å; L275-M387 HydrophobicContact CD1-SD 4Å; L275-M387 HydrophobicContact CG-CE 4.1Å; L275-L392 HydrophobicContact CD1-CD1 4.1Å; L275-F395 VanDerWaalsContact C-CZ 3.47Å; L275-F395 HydrophobicContact CB-CD1 4.11Å; L275-F395 HydrophobicContact CB-CD2 4.27Å; L275-F395 HydrophobicContact CB-CE1 3.5Å; L275-F395 VanDerWaalsContact CB-CE1 3.5Å; L275-F395 HydrophobicContact CB-CE2 3.67Å; L275-F395 HydrophobicContact CB-CG 4.48Å; L275-F395 HydrophobicContact CB-CZ 3.27Å; L275-F395 HydrophobicContact CD1-CD1 3.8Å; L275-F395 HydrophobicContact CD1-CE1 3.99Å; L275-F395 HydrophobicContact CD1-CG 4.14Å; L275-F395 HydrophobicContact CD1-CZ 4.48Å; L275-F395 HydrophobicContact CG-CE1 4.39Å
276	A	94	Very high	92.9	Very high	5 Å²	5	56.8 Å²	56.8	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-47.8	178.2	0	0	0	0	0	111.9	M268 F269 S272 F278 I279 L280 F395	M268-A276 HydrophobicContact CB-CB 4.29Å; F269-A276 HydrophobicContact CB-CB 4.49Å; F269-A276 HydrophobicContact CD1-CB 3.64Å; F269-A276 HydrophobicContact CD2-CB 4Å; F269-A276 HydrophobicContact CE1-CB 3.71Å; F269-A276 HydrophobicContact CE2-CB 4.07Å; F269-A276 HydrophobicContact CG-CB 3.78Å; F269-A276 HydrophobicContact CZ-CB 3.93Å; S272-A276 VanDerWaalsContact O-CB 3.23Å; S272-A276 WeakPolarHBondContact O-CB 3.15Å; S272-A276 PolarHBondContact O-N 2.92Å; A276-F278 VanDerWaalsContact C-N 3.28Å; A276-F278 PolarHBondContact O-N 2.97Å; A276-I279 PolarHBondContact O-N 2.96Å; A276-L280 WeakPolarHBondContact O-CB 3.44Å; A276-L280 PolarHBondContact O-N 2.89Å; A276-F395 HydrophobicContact CB-CE2 4.22Å
277	S	93.2	Very high	92.6	Very high	63 Å²	63	56.5 Å²	56.5	44%	0.441	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-32.3	177.7	-53.7	0	0	0	0	112.8	P273 L275 L280 M281	P273-S277 VanDerWaalsContact O-CB 3.28Å; P273-S277 WeakPolarHBondContact O-CB 3.49Å; P273-S277 PolarHBondContact O-N 3.09Å; P273-S277 PolarHBondContact O-OG 3.28Å; L275-S277 PolarHBondContact O-N 2.99Å; S277-L280 PolarHBondContact O-N 3.2Å; S277-M281 PolarHBondContact O-N 3.16Å; S277-M281 VanDerWaalsContact O-N 3.09Å
278	F	93.6	Very high	92.4	Very high	51 Å²	51	58.1 Å²	58.1	22%	0.224	32%	0.318	C	S	.	.	H	α-helix	trans	-70.1	-43.1	177.3	177.3	-108.5	0	0	0	112	S274 L275 A276 M281 I282 K377	S274-F278 WeakPolarHBondContact O-CB 3.42Å; L275-F278 WeakPolarHBondContact O-CB 3.12Å; L275-F278 PolarHBondContact O-N 3.45Å; A276-F278 VanDerWaalsContact C-N 3.28Å; A276-F278 PolarHBondContact O-N 2.97Å; F278-M281 PolarHBondContact O-N 2.74Å; F278-I282 HydrophobicContact CD1-CD1 4.05Å; F278-I282 HydrophobicContact CD2-CD1 4.05Å; F278-I282 HydrophobicContact CE1-CD1 3.66Å; F278-I282 HydrophobicContact CE2-CD1 3.65Å; F278-I282 HydrophobicContact CG-CD1 4.25Å; F278-I282 HydrophobicContact CZ-CD1 3.45Å; F278-I282 VanDerWaalsContact CZ-CD1 3.45Å; F278-I282 WeakPolarHBondContact O-CG1 3.21Å; F278-I282 PolarHBondContact O-N 2.84Å; F278-K377 HydrophobicContact CB-CD 4.1Å; F278-K377 HydrophobicContact CD1-CD 3.88Å; F278-K377 HydrophobicContact CD2-CD 4.03Å; F278-K377 HydrophobicContact CE1-CB 4.3Å; F278-K377 HydrophobicContact CE1-CD 4.24Å; F278-K377 HydrophobicContact CE2-CD 4.37Å; F278-K377 HydrophobicContact CG-CD 3.76Å; F278-K377 HydrophobicContact CZ-CD 4.47Å
279	I	92.1	Very high	92.2	Very high	16 Å²	16	63.4 Å²	63.4	8%	0.082	35%	0.346	C	S	.	.	H	α-helix	trans	-62.9	-44.2	171.6	-69.3	-177.9	0	0	0	110.7	M268 L275 A276 M281 I282 V283 V374 F395 T399	M268-I279 HydrophobicContact CE-CD1 3.67Å; M268-I279 HydrophobicContact CE-CG2 4.34Å; L275-I279 PolarHBondContact O-N 2.96Å; A276-I279 PolarHBondContact O-N 2.96Å; I279-M281 PolarHBondContact O-N 2.92Å; I279-I282 PolarHBondContact O-N 3.42Å; I279-V283 HydrophobicContact CG2-CG2 3.63Å; I279-V283 WeakPolarHBondContact O-CG2 3.42Å; I279-V283 PolarHBondContact O-N 3.29Å; I279-V374 HydrophobicContact CD1-CG1 4.28Å; I279-V374 HydrophobicContact CD1-CG2 3.6Å; I279-V374 HydrophobicContact CG1-CG2 3.54Å; I279-F395 HydrophobicContact CD1-CE1 3.56Å; I279-F395 HydrophobicContact CD1-CZ 3.76Å; I279-T399 HydrophobicContact CD1-CG2 3.74Å
280	L	90.5	Very high	91.9	Very high	108 Å²	108	61.1 Å²	61.1	57%	0.565	34%	0.342	S	S	*	.	H	α-helix	trans	-62.4	-26.3	180	-174.1	59.6	0	0	0	113.1	F269 A276 S277 P284	F269-L280 HydrophobicContact CZ-CD2 4.07Å; A276-L280 WeakPolarHBondContact O-CB 3.44Å; A276-L280 PolarHBondContact O-N 2.89Å; S277-L280 PolarHBondContact O-N 3.2Å; L280-P284 WeakPolarHBondContact O-CD 3.31Å; L280-P284 VanDerWaalsContact O-CG 3.25Å; L280-P284 WeakPolarHBondContact O-CG 3.38Å
281	M	91.9	Very high	91.7	Very high	134 Å²	134	57.1 Å²	57.1	66%	0.66	33%	0.331	S	S	*	.	H	α-helix	trans	-78.1	-35.6	172.4	-168.8	-178.5	75.1	0	0	113	S277 F278 I279 P285	S277-M281 PolarHBondContact O-N 3.16Å; S277-M281 VanDerWaalsContact O-N 3.09Å; F278-M281 PolarHBondContact O-N 2.74Å; I279-M281 PolarHBondContact O-N 2.92Å; M281-P285 WeakPolarHBondContact O-CD 3.45Å
282	I	90.7	Very high	91.7	Very high	41 Å²	41	61.2 Å²	61.2	21%	0.21	35%	0.351	C	S	.	.	H	α-helix	trans	-86.2	-38.5	-172.7	-71	171.5	0	0	0	112.9	F278 I279 P285 I286 M370	F278-I282 HydrophobicContact CD1-CD1 4.05Å; F278-I282 HydrophobicContact CD2-CD1 4.05Å; F278-I282 HydrophobicContact CE1-CD1 3.66Å; F278-I282 HydrophobicContact CE2-CD1 3.65Å; F278-I282 HydrophobicContact CG-CD1 4.25Å; F278-I282 HydrophobicContact CZ-CD1 3.45Å; F278-I282 VanDerWaalsContact CZ-CD1 3.45Å; F278-I282 WeakPolarHBondContact O-CG1 3.21Å; F278-I282 PolarHBondContact O-N 2.84Å; I279-I282 PolarHBondContact O-N 3.42Å; I282-P285 WeakPolarHBondContact O-CD 3.41Å; I282-I286 HydrophobicContact CG2-CD1 3.68Å; I282-I286 WeakPolarHBondContact O-CG1 3.45Å; I282-M370 HydrophobicContact CG2-CG 4.46Å
283	V	89.9	Confident	91.5	Very high	41 Å²	41	64.6 Å²	64.6	25%	0.248	36%	0.363	C	S	.	.	H	α-helix	trans	-65.7	-50.6	-173.7	170.4	0	0	0	0	113	I279 I286 T287 M370	I279-V283 HydrophobicContact CG2-CG2 3.63Å; I279-V283 WeakPolarHBondContact O-CG2 3.42Å; I279-V283 PolarHBondContact O-N 3.29Å; V283-I286 PolarHBondContact O-N 2.99Å; V283-I286 VanDerWaalsContact O-N 3.16Å; V283-T287 PolarHBondContact O-N 3.35Å; V283-T287 PolarHBondContact O-OG1 3.23Å; V283-T287 VanDerWaalsContact O-OG1 3.04Å; V283-M370 HydrophobicContact CG2-SD 3.63Å
284	P	90.8	Very high	91.3	Very high	60 Å²	60	61.9 Å²	61.9	39%	0.39	35%	0.349	S	S	.	.	H	α-helix	trans	-60.2	-42.9	-172.6	-21.4	32.5	0	0	0	114.6	L280 I286 T287 V288	L280-P284 WeakPolarHBondContact O-CD 3.31Å; L280-P284 VanDerWaalsContact O-CG 3.25Å; L280-P284 WeakPolarHBondContact O-CG 3.38Å; P284-I286 PolarHBondContact O-N 3.15Å; P284-T287 PolarHBondContact O-N 2.92Å; P284-V288 WeakPolarHBondContact O-CG2 3.37Å; P284-V288 PolarHBondContact O-N 3.47Å
285	P	91.8	Very high	91.2	Very high	74 Å²	74	67.9 Å²	67.9	48%	0.481	36%	0.364	S	S	.	.	H	α-helix	trans	-57.7	-46.7	173.3	-26.5	35.6	0	0	0	113.1	M281 I282 T287 V288 L289	M281-P285 WeakPolarHBondContact O-CD 3.45Å; I282-P285 WeakPolarHBondContact O-CD 3.41Å; P285-T287 VanDerWaalsContact C-N 3.33Å; P285-T287 PolarHBondContact O-N 2.88Å; P285-V288 PolarHBondContact O-N 3.35Å; P285-L289 VanDerWaalsContact O-CD1 3.25Å; P285-L289 WeakPolarHBondContact O-CD1 3.35Å; P285-L289 PolarHBondContact O-N 2.86Å
286	I	90.4	Very high	91.1	Very high	62 Å²	62	73.6 Å²	73.6	32%	0.318	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-43	178.1	-62.8	173.2	0	0	0	110.2	I282 V283 P284 L289 A290	I282-I286 HydrophobicContact CG2-CD1 3.68Å; I282-I286 WeakPolarHBondContact O-CG1 3.45Å; V283-I286 PolarHBondContact O-N 2.99Å; V283-I286 VanDerWaalsContact O-N 3.16Å; P284-I286 PolarHBondContact O-N 3.15Å; I286-L289 PolarHBondContact O-N 3.3Å; I286-A290 WeakPolarHBondContact O-CB 3.38Å; I286-A290 PolarHBondContact O-N 2.9Å
287	T	88.9	Confident	91	Very high	65 Å²	65	74.3 Å²	74.3	40%	0.399	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-41.5	176.2	-55.7	0	0	0	0	112.3	V283 P284 P285 A290 I291	V283-T287 PolarHBondContact O-N 3.35Å; V283-T287 PolarHBondContact O-OG1 3.23Å; V283-T287 VanDerWaalsContact O-OG1 3.04Å; P284-T287 PolarHBondContact O-N 2.92Å; P285-T287 VanDerWaalsContact C-N 3.33Å; P285-T287 PolarHBondContact O-N 2.88Å; T287-A290 PolarHBondContact O-N 2.85Å; T287-I291 HydrophobicContact CG2-CD1 3.92Å; T287-I291 HydrophobicContact CG2-CG1 4.46Å; T287-I291 VanDerWaalsContact O-CG1 3.28Å; T287-I291 WeakPolarHBondContact O-CG1 3.25Å; T287-I291 PolarHBondContact O-N 3.47Å
288	V	91.6	Very high	90.7	Very high	81 Å²	81	80.7 Å²	80.7	49%	0.491	40%	0.404	S	S	.	.	H	α-helix	trans	-63.2	-45.9	177	168.9	0	0	0	0	111.3	P284 P285 A290 I291 I292	P284-V288 WeakPolarHBondContact O-CG2 3.37Å; P284-V288 PolarHBondContact O-N 3.47Å; P285-V288 PolarHBondContact O-N 3.35Å; V288-A290 VanDerWaalsContact C-N 3.34Å; V288-A290 PolarHBondContact O-N 3.5Å; V288-I291 PolarHBondContact O-N 3.03Å; V288-I292 HydrophobicContact CG1-CD1 4.03Å; V288-I292 WeakPolarHBondContact O-CG1 3.31Å; V288-I292 PolarHBondContact O-N 2.77Å
289	L	90.9	Very high	90.6	Very high	122 Å²	122	80.9 Å²	80.9	64%	0.639	41%	0.411	S	S	*	.	H	α-helix	trans	-61	-43	175.1	-89	73.2	0	0	0	111.5	P285 I286 I291 I292 Y293	P285-L289 VanDerWaalsContact O-CD1 3.25Å; P285-L289 WeakPolarHBondContact O-CD1 3.35Å; P285-L289 PolarHBondContact O-N 2.86Å; I286-L289 PolarHBondContact O-N 3.3Å; L289-I291 PolarHBondContact O-N 3.48Å; L289-I292 PolarHBondContact O-N 3.37Å; L289-Y293 PolarHBondContact O-N 3.02Å
290	A	89.5	Confident	90.6	Very high	29 Å²	29	80.5 Å²	80.5	24%	0.24	41%	0.41	C	S	.	.	H	α-helix	trans	-63.5	-36.7	176.6	0	0	0	0	0	112.8	I286 T287 V288 G294 F359 T363	I286-A290 WeakPolarHBondContact O-CB 3.38Å; I286-A290 PolarHBondContact O-N 2.9Å; T287-A290 PolarHBondContact O-N 2.85Å; V288-A290 VanDerWaalsContact C-N 3.34Å; V288-A290 PolarHBondContact O-N 3.5Å; A290-G294 PolarHBondContact O-N 3Å; A290-F359 HydrophobicContact CB-CE2 4.46Å; A290-T363 HydrophobicContact CB-CG2 4.4Å
291	I	90.1	Very high	90.6	Very high	82 Å²	82	76.6 Å²	76.6	42%	0.421	39%	0.391	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174.7	-72.5	164.8	0	0	0	111.2	T287 V288 L289 G294 R295	T287-I291 HydrophobicContact CG2-CD1 3.92Å; T287-I291 HydrophobicContact CG2-CG1 4.46Å; T287-I291 VanDerWaalsContact O-CG1 3.28Å; T287-I291 WeakPolarHBondContact O-CG1 3.25Å; T287-I291 PolarHBondContact O-N 3.47Å; V288-I291 PolarHBondContact O-N 3.03Å; L289-I291 PolarHBondContact O-N 3.48Å; I291-G294 PolarHBondContact O-N 2.69Å; I291-R295 WeakPolarHBondContact O-CG 3.28Å; I291-R295 PolarHBondContact O-N 2.91Å
292	I	91.9	Very high	90.6	Very high	107 Å²	107	76.5 Å²	76.5	55%	0.549	39%	0.387	S	S	.	.	H	α-helix	trans	-63.3	-48.7	177.8	-66.6	164.4	0	0	0	110.1	V288 L289 G294 R295 Y296	V288-I292 HydrophobicContact CG1-CD1 4.03Å; V288-I292 WeakPolarHBondContact O-CG1 3.31Å; V288-I292 PolarHBondContact O-N 2.77Å; L289-I292 PolarHBondContact O-N 3.37Å; I292-G294 PolarHBondContact O-N 3.42Å; I292-R295 PolarHBondContact O-N 3.35Å; I292-Y296 PolarHBondContact O-N 3.28Å
293	Y	91.8	Very high	90.8	Very high	80 Å²	80	81.5 Å²	81.5	31%	0.314	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-44.5	176.7	-152.4	-52.8	0	0	0	111.2	L289 R295 Y296 L297 I355 F359	L289-Y293 PolarHBondContact O-N 3.02Å; Y293-R295 VanDerWaalsContact C-N 3.34Å; Y293-R295 PolarHBondContact O-N 3.32Å; Y293-Y296 WeakPolarHBondContact O-CB 3.42Å; Y293-Y296 PolarHBondContact O-N 3.41Å; Y293-Y296 VanDerWaalsContact O-N 3.12Å; Y293-L297 PolarHBondContact O-N 3Å; Y293-I355 HydrophobicContact CE1-CG2 3.82Å; Y293-I355 WeakPolarHBondContact CE1-O 3.45Å; Y293-F359 HydrophobicContact CD1-CB 3.89Å; Y293-F359 AromaticContact CD1-CD2 3.73Å; Y293-F359 HydrophobicContact CD1-CD2 3.73Å; Y293-F359 HydrophobicContact CD1-CG 4.29Å; Y293-F359 HydrophobicContact CE1-CB 3.76Å; Y293-F359 HydrophobicContact CE1-CD2 4.45Å; Y293-F359 AromaticContact CG-CD2 3.92Å; Y293-F359 HydrophobicContact CG-CD2 3.92Å
294	G	89.1	Confident	91	Very high	24 Å²	24	79.9 Å²	79.9	25%	0.247	39%	0.394	C	S	.	.	H	α-helix	trans	-62.6	-34.6	178.6	0	0	0	0	0	113.8	A290 I291 I292 R298	A290-G294 PolarHBondContact O-N 3Å; I291-G294 PolarHBondContact O-N 2.69Å; I292-G294 PolarHBondContact O-N 3.42Å; G294-R298 WeakPolarHBondContact O-CB 3.45Å; G294-R298 PolarHBondContact O-N 2.9Å
295	R	90.2	Very high	91	Very high	181 Å²	181	82.2 Å²	82.2	68%	0.683	40%	0.399	S	S	*	.	H	α-helix	trans	-65.5	-41.5	171.5	-76.7	173.4	176.4	172.6	-0.4	111.9	I291 I292 Y293 R298 S299	I291-R295 WeakPolarHBondContact O-CG 3.28Å; I291-R295 PolarHBondContact O-N 2.91Å; I292-R295 PolarHBondContact O-N 3.35Å; Y293-R295 VanDerWaalsContact C-N 3.34Å; Y293-R295 PolarHBondContact O-N 3.32Å; R295-R298 PolarHBondContact O-N 2.97Å; R295-S299 PolarHBondContact O-N 3.18Å; R295-S299 VanDerWaalsContact O-N 3.08Å
296	Y	91.3	Very high	91.1	Very high	119 Å²	119	82.4 Å²	82.4	47%	0.467	40%	0.396	S	S	.	.	H	α-helix	trans	-65.3	-45.7	175.3	178	-117.6	0	0	0	111.9	I292 Y293 R298 S299 I300 I355	I292-Y296 PolarHBondContact O-N 3.28Å; Y293-Y296 WeakPolarHBondContact O-CB 3.42Å; Y293-Y296 PolarHBondContact O-N 3.41Å; Y293-Y296 VanDerWaalsContact O-N 3.12Å; Y296-R298 PolarHBondContact O-N 3.42Å; Y296-S299 WeakPolarHBondContact O-CB 3.4Å; Y296-S299 PolarHBondContact O-N 2.84Å; Y296-I300 HydrophobicContact CE2-CD1 4.48Å; Y296-I300 HydrophobicContact CE2-CG1 4.42Å; Y296-I300 PolarHBondContact O-N 3.37Å; Y296-I355 HydrophobicContact CD1-CD1 4.48Å; Y296-I355 HydrophobicContact CD1-CG2 3.92Å; Y296-I355 HydrophobicContact CE1-CD1 3.61Å; Y296-I355 HydrophobicContact CE1-CG1 4.07Å; Y296-I355 HydrophobicContact CE1-CG2 3.98Å
297	L	90.7	Very high	91.3	Very high	21 Å²	21	79.7 Å²	79.7	11%	0.11	38%	0.383	C	S	.	.	H	α-helix	trans	-56.6	-49.2	173.6	176	57.8	0	0	0	111.5	Y293 S299 I300 S301 E352 I355 R356 F359	Y293-L297 PolarHBondContact O-N 3Å; L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 3.16Å; L297-I300 PolarHBondContact O-N 2.88Å; L297-S301 PolarHBondContact O-N 2.98Å; L297-S301 PolarHBondContact O-OG 3.41Å; L297-E352 HydrophobicContact CD1-CG 3.92Å; L297-I355 HydrophobicContact CB-CG2 4.15Å; L297-I355 HydrophobicContact CD1-CB 4.4Å; L297-I355 HydrophobicContact CD1-CG2 4Å; L297-R356 HydrophobicContact CD1-CB 3.99Å; L297-R356 HydrophobicContact CD2-CB 4.35Å; L297-R356 HydrophobicContact CD2-CG 4.37Å; L297-F359 HydrophobicContact CD2-CB 4.44Å; L297-F359 HydrophobicContact CD2-CD1 4.4Å; L297-F359 HydrophobicContact CD2-CG 4.37Å
298	R	87.6	Confident	91.6	Very high	196 Å²	196	79.6 Å²	79.6	74%	0.74	38%	0.38	S	S	*	.	H	α-helix	trans	-57.1	-37.6	177.2	-174.1	-176.7	-68.1	-169.6	-2.8	112.7	G294 R295 Y296 I300 S301 K302	G294-R298 WeakPolarHBondContact O-CB 3.45Å; G294-R298 PolarHBondContact O-N 2.9Å; R295-R298 PolarHBondContact O-N 2.97Å; Y296-R298 PolarHBondContact O-N 3.42Å; R298-I300 VanDerWaalsContact C-N 3.33Å; R298-S301 PolarHBondContact O-N 3.24Å; R298-K302 PolarHBondContact O-N 3.2Å
299	S	91.4	Very high	91.5	Very high	55 Å²	55	77.9 Å²	77.9	39%	0.385	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-35.3	176.7	-171.9	0	0	0	0	112.6	R295 Y296 L297 R303	R295-S299 PolarHBondContact O-N 3.18Å; R295-S299 VanDerWaalsContact O-N 3.08Å; Y296-S299 WeakPolarHBondContact O-CB 3.4Å; Y296-S299 PolarHBondContact O-N 2.84Å; L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 3.16Å; S299-R303 WeakPolarHBondContact O-CG 3.18Å; S299-R303 PolarHBondContact O-N 3.09Å
300	I	91.1	Very high	91.7	Very high	9 Å²	9	76.6 Å²	76.6	5%	0.046	37%	0.365	C	S	.	.	H	α-helix	trans	-75.3	-46.8	173.9	-59.6	-61.6	0	0	0	110.9	Y296 L297 R298 K302 R303 T304 E352 I355	Y296-I300 HydrophobicContact CE2-CD1 4.48Å; Y296-I300 HydrophobicContact CE2-CG1 4.42Å; Y296-I300 PolarHBondContact O-N 3.37Å; L297-I300 PolarHBondContact O-N 2.88Å; R298-I300 VanDerWaalsContact C-N 3.33Å; I300-K302 PolarHBondContact O-N 3.23Å; I300-R303 WeakPolarHBondContact O-CB 3.29Å; I300-R303 PolarHBondContact O-N 2.96Å; I300-T304 PolarHBondContact O-N 3.05Å; I300-T304 PolarHBondContact O-OG1 2.94Å; I300-E352 HydrophobicContact CG2-CB 3.87Å; I300-E352 HydrophobicContact CG2-CG 4.25Å; I300-I355 HydrophobicContact CB-CD1 4.49Å; I300-I355 HydrophobicContact CG1-CD1 3.79Å; I300-I355 HydrophobicContact CG2-CD1 4.45Å
301	S	91.1	Very high	92	Very high	26 Å²	26	75.2 Å²	75.2	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-54.9	-39.9	176.1	-56.6	0	0	0	0	112.5	L297 R298 T304 Q305 E352	L297-S301 PolarHBondContact O-N 2.98Å; L297-S301 PolarHBondContact O-OG 3.41Å; R298-S301 PolarHBondContact O-N 3.24Å; S301-T304 WeakPolarHBondContact O-CB 3.25Å; S301-T304 PolarHBondContact O-N 2.74Å; S301-Q305 WeakPolarHBondContact O-CG 3.49Å; S301-Q305 PolarHBondContact O-N 3.01Å; S301-E352 WeakPolarHBondContact CA-OE2 3.41Å; S301-E352 WeakPolarHBondContact CB-OE1 3.28Å; S301-E352 PolarHBondContact OG-OE1 3.25Å
302	K	92.2	Very high	92.2	Very high	132 Å²	132	74.8 Å²	74.8	57%	0.574	36%	0.355	S	S	*	.	H	α-helix	trans	-59	-48.6	173.5	179.3	171.9	176.6	176.9	0	111.2	R298 I300 T304 Q305 D306	R298-K302 PolarHBondContact O-N 3.2Å; I300-K302 PolarHBondContact O-N 3.23Å; K302-T304 VanDerWaalsContact C-N 3.28Å; K302-T304 PolarHBondContact O-N 3.07Å; K302-Q305 CarbonylContact O-C 3.46Å; K302-Q305 PolarHBondContact O-N 3.48Å; K302-D306 WeakPolarHBondContact CE-OD1 3.39Å; K302-D306 WeakPolarHBondContact CE-OD2 3.38Å; K302-D306 WeakPolarHBondContact CG-OD2 3.26Å; K302-D306 VanDerWaalsContact O-CG 3.22Å; K302-D306 PolarHBondContact O-N 3.18Å
303	R	93.8	Very high	92.2	Very high	146 Å²	146	75.2 Å²	75.2	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-60.6	-36.9	178.6	-64.6	173.5	-168.9	-148.8	0.1	112.3	S299 I300 Q305 A307	S299-R303 WeakPolarHBondContact O-CG 3.18Å; S299-R303 PolarHBondContact O-N 3.09Å; I300-R303 WeakPolarHBondContact O-CB 3.29Å; I300-R303 PolarHBondContact O-N 2.96Å; R303-Q305 VanDerWaalsContact C-N 3.35Å; R303-A307 WeakPolarHBondContact O-CB 3.32Å; R303-A307 PolarHBondContact O-N 3.48Å; R303-A307 VanDerWaalsContact O-N 3.08Å
304	T	94.9	Very high	92.3	Very high	7 Å²	7	72.5 Å²	72.5	4%	0.043	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-44.8	173	-43.5	0	0	0	0	111.2	I300 S301 K302 L308 V345 L348 A349 E352	I300-T304 PolarHBondContact O-N 3.05Å; I300-T304 PolarHBondContact O-OG1 2.94Å; S301-T304 WeakPolarHBondContact O-CB 3.25Å; S301-T304 PolarHBondContact O-N 2.74Å; K302-T304 VanDerWaalsContact C-N 3.28Å; K302-T304 PolarHBondContact O-N 3.07Å; T304-L308 WeakPolarHBondContact O-CB 3.36Å; T304-L308 PolarHBondContact O-N 3Å; T304-V345 HydrophobicContact CG2-CG1 4.43Å; T304-L348 HydrophobicContact CG2-CB 4.39Å; T304-A349 HydrophobicContact CG2-CB 3.99Å; T304-E352 WeakPolarHBondContact CB-OE2 3.43Å; T304-E352 PolarHBondContact OG1-OE2 3.24Å
305	Q	91.3	Very high	92.6	Very high	109 Å²	109	72.6 Å²	72.6	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-71.2	-43.3	178.9	-64.9	-59.8	-49.6	0	0	112.8	S301 K302 R303 A307 L308 A309	S301-Q305 WeakPolarHBondContact O-CG 3.49Å; S301-Q305 PolarHBondContact O-N 3.01Å; K302-Q305 CarbonylContact O-C 3.46Å; K302-Q305 PolarHBondContact O-N 3.48Å; R303-Q305 VanDerWaalsContact C-N 3.35Å; Q305-A307 PolarHBondContact O-N 3.04Å; Q305-L308 PolarHBondContact O-N 3.13Å; Q305-L308 VanDerWaalsContact O-N 3.14Å; Q305-A309 WeakPolarHBondContact O-CB 3.36Å; Q305-A309 PolarHBondContact O-N 3.46Å
306	D	92.7	Very high	92.7	Very high	77 Å²	77	70.7 Å²	70.7	41%	0.412	34%	0.342	S	S	.	.	H	α-helix	trans	-58.8	-37.6	176.3	-62.8	-20.5	0	0	0	111	K302 Q310	K302-D306 WeakPolarHBondContact CE-OD1 3.39Å; K302-D306 WeakPolarHBondContact CE-OD2 3.38Å; K302-D306 WeakPolarHBondContact CG-OD2 3.26Å; K302-D306 VanDerWaalsContact O-CG 3.22Å; K302-D306 PolarHBondContact O-N 3.18Å; D306-Q310 PolarHBondContact O-N 3.39Å
307	A	94.5	Very high	92.8	Very high	6 Å²	6	69.4 Å²	69.4	5%	0.05	34%	0.341	C	S	.	.	H	α-helix	trans	-73.3	-38.2	175.2	0	0	0	0	0	113	R303 Q305 Q310 A311 Y344 V345 L348	R303-A307 WeakPolarHBondContact O-CB 3.32Å; R303-A307 PolarHBondContact O-N 3.48Å; R303-A307 VanDerWaalsContact O-N 3.08Å; Q305-A307 PolarHBondContact O-N 3.04Å; A307-Q310 PolarHBondContact O-N 3.25Å; A307-A311 PolarHBondContact O-N 2.96Å; A307-Y344 HydrophobicContact CB-CD1 3.97Å; A307-Y344 HydrophobicContact CB-CE1 3.85Å; A307-V345 HydrophobicContact CB-CG2 3.88Å; A307-L348 HydrophobicContact CB-CD1 3.65Å
308	L	96.1	Very high	93.1	Very high	63 Å²	63	71.5 Å²	71.5	33%	0.33	35%	0.347	S	S	.	.	H	α-helix	trans	-64.6	-42.9	175.4	178	60.4	0	0	0	111.2	T304 Q305 Q310 A311 T312 V345	T304-L308 WeakPolarHBondContact O-CB 3.36Å; T304-L308 PolarHBondContact O-N 3Å; Q305-L308 PolarHBondContact O-N 3.13Å; Q305-L308 VanDerWaalsContact O-N 3.14Å; L308-Q310 VanDerWaalsContact C-N 3.29Å; L308-Q310 PolarHBondContact O-N 2.55Å; L308-A311 WeakPolarHBondContact O-CA 3.31Å; L308-A311 WeakPolarHBondContact O-CB 3.32Å; L308-A311 PolarHBondContact O-N 3.33Å; L308-T312 PolarHBondContact O-N 3.29Å; L308-T312 PolarHBondContact O-OG1 3.19Å; L308-V345 HydrophobicContact CB-CG1 4.27Å; L308-V345 HydrophobicContact CB-CG2 4.36Å; L308-V345 HydrophobicContact CD1-CG1 4.44Å
309	A	90	Very high	93.5	Very high	44 Å²	44	68.1 Å²	68.1	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-56.6	-41.3	177	0	0	0	0	0	112.1	Q305 A311 T312 Q313	Q305-A309 WeakPolarHBondContact O-CB 3.36Å; Q305-A309 PolarHBondContact O-N 3.46Å; A309-A311 VanDerWaalsContact C-N 3.35Å; A309-A311 PolarHBondContact O-N 3.44Å; A309-T312 PolarHBondContact O-N 3.09Å; A309-Q313 WeakPolarHBondContact O-CB 3.42Å; A309-Q313 PolarHBondContact O-N 3.33Å
310	Q	94.1	Very high	93.6	Very high	95 Å²	95	68.5 Å²	68.5	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-64.3	-35.9	173.9	-66.7	176.6	27	0	0	113.3	D306 A307 L308 L314	D306-Q310 PolarHBondContact O-N 3.39Å; A307-Q310 PolarHBondContact O-N 3.25Å; L308-Q310 VanDerWaalsContact C-N 3.29Å; L308-Q310 PolarHBondContact O-N 2.55Å; Q310-L314 WeakPolarHBondContact O-CB 3.29Å; Q310-L314 PolarHBondContact O-N 2.65Å; Q310-L314 VanDerWaalsContact O-N 3.13Å
311	A	96.3	Very high	93.8	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-70.2	-41.9	176.3	0	0	0	0	0	111	A307 L308 A309 L314 A315 Y338 K341	A307-A311 PolarHBondContact O-N 2.96Å; L308-A311 WeakPolarHBondContact O-CA 3.31Å; L308-A311 WeakPolarHBondContact O-CB 3.32Å; L308-A311 PolarHBondContact O-N 3.33Å; A309-A311 VanDerWaalsContact C-N 3.35Å; A309-A311 PolarHBondContact O-N 3.44Å; A311-L314 PolarHBondContact O-N 2.96Å; A311-A315 PolarHBondContact O-N 3.22Å; A311-Y338 HydrophobicContact CB-CE2 4.19Å; A311-Y338 WeakPolarHBondContact O-CE2 3.37Å; A311-K341 HydrophobicContact CB-CB 4Å
312	T	94.1	Very high	94	Very high	73 Å²	73	74.6 Å²	74.6	45%	0.448	39%	0.385	S	S	.	.	H	α-helix	trans	-63.8	-43.7	174.7	-56.9	0	0	0	0	111.9	L308 A309 L314 A315 E316	L308-T312 PolarHBondContact O-N 3.29Å; L308-T312 PolarHBondContact O-OG1 3.19Å; A309-T312 PolarHBondContact O-N 3.09Å; T312-L314 PolarHBondContact O-N 2.87Å; T312-A315 PolarHBondContact O-N 2.7Å; T312-A315 VanDerWaalsContact O-N 3.13Å; T312-E316 WeakPolarHBondContact O-CB 3.38Å; T312-E316 PolarHBondContact O-N 3.01Å
313	Q	91.7	Very high	94.2	Very high	116 Å²	116	78.9 Å²	78.9	54%	0.542	40%	0.397	S	S	.	.	H	α-helix	trans	-60.3	-43.3	175.9	-175.2	-177	-0.5	0	0	111.6	A309 A315 E316 E317	A309-Q313 WeakPolarHBondContact O-CB 3.42Å; A309-Q313 PolarHBondContact O-N 3.33Å; Q313-A315 VanDerWaalsContact C-N 3.35Å; Q313-A315 PolarHBondContact O-N 3.3Å; Q313-E316 PolarHBondContact O-N 3.46Å; Q313-E317 WeakPolarHBondContact O-CB 3.27Å; Q313-E317 PolarHBondContact O-N 2.96Å
314	L	94.6	Very high	94.4	Very high	24 Å²	24	75.5 Å²	75.5	13%	0.126	39%	0.393	C	S	.	.	H	α-helix	trans	-59.9	-44.1	173.2	174.5	64.7	0	0	0	111.4	Q310 A311 T312 E317 R318 K337 K341	Q310-L314 WeakPolarHBondContact O-CB 3.29Å; Q310-L314 PolarHBondContact O-N 2.65Å; Q310-L314 VanDerWaalsContact O-N 3.13Å; A311-L314 PolarHBondContact O-N 2.96Å; T312-L314 PolarHBondContact O-N 2.87Å; L314-E317 PolarHBondContact O-N 3.44Å; L314-R318 HydrophobicContact CD1-CG 4.03Å; L314-R318 VanDerWaalsContact CD1-NH2 3.32Å; L314-R318 VanDerWaalsContact O-CG 3.25Å; L314-R318 WeakPolarHBondContact O-CG 3.46Å; L314-R318 PolarHBondContact O-N 3.37Å; L314-K337 HydrophobicContact CD2-CB 4.33Å; L314-K341 HydrophobicContact CD2-CG 4.22Å
315	A	95.7	Very high	94.5	Very high	25 Å²	25	76 Å²	76	21%	0.207	40%	0.396	C	S	.	.	H	α-helix	trans	-64.5	-44.9	177.9	0	0	0	0	0	112.2	A311 T312 Q313 E317 R318 I319 Y338	A311-A315 PolarHBondContact O-N 3.22Å; T312-A315 PolarHBondContact O-N 2.7Å; T312-A315 VanDerWaalsContact O-N 3.13Å; Q313-A315 VanDerWaalsContact C-N 3.35Å; Q313-A315 PolarHBondContact O-N 3.3Å; A315-E317 PolarHBondContact O-N 3.41Å; A315-R318 PolarHBondContact O-N 3.32Å; A315-I319 HydrophobicContact CB-CD1 4.46Å; A315-I319 VanDerWaalsContact O-CB 3.28Å; A315-I319 WeakPolarHBondContact O-CB 3.17Å; A315-I319 WeakPolarHBondContact O-CD1 3.39Å; A315-I319 WeakPolarHBondContact O-CG1 3.3Å; A315-I319 PolarHBondContact O-N 2.67Å; A315-Y338 HydrophobicContact CB-CD2 4.14Å; A315-Y338 HydrophobicContact CB-CE2 3.86Å
316	E	91.9	Very high	94.8	Very high	141 Å²	141	78.2 Å²	78.2	66%	0.659	40%	0.4	S	S	*	.	H	α-helix	trans	-57.8	-48.3	175.7	-175.2	179.6	179.2	0	0	111.3	T312 Q313 R318 I319 G320	T312-E316 WeakPolarHBondContact O-CB 3.38Å; T312-E316 PolarHBondContact O-N 3.01Å; Q313-E316 PolarHBondContact O-N 3.46Å; E316-R318 PolarHBondContact O-N 3.02Å; E316-I319 PolarHBondContact O-N 3.03Å; E316-G320 PolarHBondContact O-N 3.23Å
317	E	93.6	Very high	95	Very high	93 Å²	93	78.4 Å²	78.4	44%	0.435	41%	0.412	S	S	.	.	H	α-helix	trans	-60.3	-43.8	178.7	-162.7	-156.8	154.8	0	0	112	Q313 L314 A315 N321	Q313-E317 WeakPolarHBondContact O-CB 3.27Å; Q313-E317 PolarHBondContact O-N 2.96Å; L314-E317 PolarHBondContact O-N 3.44Å; A315-E317 PolarHBondContact O-N 3.41Å; E317-N321 WeakPolarHBondContact O-CB 3.38Å; E317-N321 PolarHBondContact O-N 3.36Å; E317-N321 VanDerWaalsContact O-N 3.12Å; E317-N321 PolarHBondContact O-ND2 2.96Å
318	R	96.6	Very high	95.2	Very high	65 Å²	65	85 Å²	85	25%	0.245	44%	0.44	C	S	.	.	H	α-helix	trans	-77.2	-32.4	-179.1	-61.7	-62.5	168	-97.3	-32	113.7	L314 A315 E316 N321 I322 V325 E334	L314-R318 HydrophobicContact CD1-CG 4.03Å; L314-R318 VanDerWaalsContact CD1-NH2 3.32Å; L314-R318 VanDerWaalsContact O-CG 3.25Å; L314-R318 WeakPolarHBondContact O-CG 3.46Å; L314-R318 PolarHBondContact O-N 3.37Å; A315-R318 PolarHBondContact O-N 3.32Å; E316-R318 PolarHBondContact O-N 3.02Å; R318-N321 CarbonylContact O-C 3.59Å; R318-I322 WeakPolarHBondContact O-CA 3.29Å; R318-I322 PolarHBondContact O-N 2.67Å; R318-I322 VanDerWaalsContact O-N 3.12Å; R318-V325 HydrophobicContact CB-CG2 4.32Å; R318-E334 WeakPolarHBondContact CD-OE2 3.42Å; R318-E334 HydrophobicContact CG-CB 4.35Å; R318-E334 HydrophobicContact CG-CG 4.29Å; R318-E334 IonicContact CZ-OE2 3.59Å; R318-E334 IonicContact NE-OE1 2.67Å; R318-E334 IonicContact NE-OE2 3.21Å; R318-E334 PolarHBondContact NE-OE2 2.83Å
319	I	96.2	Very high	95.2	Very high	125 Å²	125	84.6 Å²	84.6	64%	0.641	45%	0.451	S	S	*	.	H	α-helix	trans	-74.1	-44.9	176.1	-68.6	167.4	0	0	0	110.1	A315 E316 N321 I322	A315-I319 HydrophobicContact CB-CD1 4.46Å; A315-I319 VanDerWaalsContact O-CB 3.28Å; A315-I319 WeakPolarHBondContact O-CB 3.17Å; A315-I319 WeakPolarHBondContact O-CD1 3.39Å; A315-I319 WeakPolarHBondContact O-CG1 3.3Å; A315-I319 PolarHBondContact O-N 2.67Å; E316-I319 PolarHBondContact O-N 3.03Å; I319-N321 VanDerWaalsContact C-N 3.3Å; I319-N321 PolarHBondContact O-N 3.03Å; I319-I322 WeakPolarHBondContact O-CB 3.4Å; I319-I322 WeakPolarHBondContact O-CG2 3.43Å; I319-I322 PolarHBondContact O-N 3.35Å
320	G	93.4	Very high	95.6	Very high	63 Å²	63	87.7 Å²	87.7	65%	0.649	46%	0.456	S	S	*	.	H	α-helix	trans	-59.7	-40.6	174.4	0	0	0	0	0	112.4	E316	E316-G320 PolarHBondContact O-N 3.23Å
321	N	95.2	Very high	95.8	Very high	84 Å²	84	86 Å²	86	45%	0.449	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	28.3	178.7	-62.5	-78.8	0	0	0	113.6	E317 R318 I319 R323 T324 V325	E317-N321 WeakPolarHBondContact O-CB 3.38Å; E317-N321 PolarHBondContact O-N 3.36Å; E317-N321 VanDerWaalsContact O-N 3.12Å; E317-N321 PolarHBondContact O-ND2 2.96Å; R318-N321 CarbonylContact O-C 3.59Å; I319-N321 VanDerWaalsContact C-N 3.3Å; I319-N321 PolarHBondContact O-N 3.03Å; N321-R323 PolarHBondContact O-N 3.19Å; N321-R323 VanDerWaalsContact O-N 3.09Å; N321-T324 WeakPolarHBondContact O-CA 3.49Å; N321-T324 WeakPolarHBondContact O-CB 3.39Å; N321-T324 PolarHBondContact O-N 3.21Å; N321-V325 PolarHBondContact O-N 3.4Å
322	I	96.2	Very high	95.8	Very high	79 Å²	79	92.6 Å²	92.6	41%	0.405	48%	0.483	S	S	.	.	H	α-helix	trans	-55.9	-32.5	-174.5	-174	58.6	0	0	0	113.5	R318 I319 T324 V325 R326	R318-I322 WeakPolarHBondContact O-CA 3.29Å; R318-I322 PolarHBondContact O-N 2.67Å; R318-I322 VanDerWaalsContact O-N 3.12Å; I319-I322 WeakPolarHBondContact O-CB 3.4Å; I319-I322 WeakPolarHBondContact O-CG2 3.43Å; I319-I322 PolarHBondContact O-N 3.35Å; I322-T324 VanDerWaalsContact C-N 3.32Å; I322-T324 PolarHBondContact O-N 3.29Å; I322-V325 HydrophobicContact CD1-CB 4.44Å; I322-V325 PolarHBondContact O-N 3.02Å; I322-R326 HydrophobicContact CD1-CG 4.31Å; I322-R326 HydrophobicContact CG1-CG 4.33Å; I322-R326 WeakPolarHBondContact O-CB 3.46Å; I322-R326 VanDerWaalsContact O-CG 3.25Å; I322-R326 WeakPolarHBondContact O-CG 3.47Å; I322-R326 PolarHBondContact O-N 3.24Å
323	R	95.8	Very high	96	Very high	221 Å²	221	91.5 Å²	91.5	83%	0.834	48%	0.478	S	S	*	.	H	α-helix	trans	-59.1	-42.3	174.3	-67.5	-177.5	-179.4	172.7	0.5	111.8	N321 A327	N321-R323 PolarHBondContact O-N 3.19Å; N321-R323 VanDerWaalsContact O-N 3.09Å; R323-A327 WeakPolarHBondContact O-CB 3.5Å; R323-A327 PolarHBondContact O-N 2.89Å
324	T	97.5	Very high	96.2	Very high	75 Å²	75	87.1 Å²	87.1	46%	0.46	46%	0.457	S	S	.	.	H	α-helix	trans	-68.9	-43.7	177.7	-47.2	0	0	0	0	111.2	N321 I322 R326 A327 F328	N321-T324 WeakPolarHBondContact O-CA 3.49Å; N321-T324 WeakPolarHBondContact O-CB 3.39Å; N321-T324 PolarHBondContact O-N 3.21Å; I322-T324 VanDerWaalsContact C-N 3.32Å; I322-T324 PolarHBondContact O-N 3.29Å; T324-R326 VanDerWaalsContact C-N 3.31Å; T324-R326 PolarHBondContact O-N 3.44Å; T324-A327 PolarHBondContact O-N 3.33Å; T324-F328 HydrophobicContact CG2-CD2 3.98Å; T324-F328 HydrophobicContact CG2-CE2 3.97Å; T324-F328 WeakPolarHBondContact O-CD2 3.47Å; T324-F328 PolarHBondContact O-N 2.91Å
325	V	97.9	Very high	96.4	Very high	17 Å²	17	90 Å²	90	10%	0.103	48%	0.476	C	S	.	.	H	α-helix	trans	-60.2	-42	177.2	-177.5	0	0	0	0	111	R318 N321 I322 G329 K330 E331 E334	R318-V325 HydrophobicContact CB-CG2 4.32Å; N321-V325 PolarHBondContact O-N 3.4Å; I322-V325 HydrophobicContact CD1-CB 4.44Å; I322-V325 PolarHBondContact O-N 3.02Å; V325-G329 PolarHBondContact O-N 3.42Å; V325-K330 HydrophobicContact CG1-CB 4.2Å; V325-K330 PolarHBondContact O-N 2.86Å; V325-E331 HydrophobicContact CG1-CG 4.32Å; V325-E334 HydrophobicContact CG1-CG 3.98Å
326	R	96.9	Very high	96.5	Very high	157 Å²	157	93.9 Å²	93.9	59%	0.592	49%	0.493	S	S	*	.	H	α-helix	trans	-65	-45.7	173.6	-69.8	-69.1	-177.4	176.7	4.5	112.6	I322 T324 F328 G329 E331	I322-R326 HydrophobicContact CD1-CG 4.31Å; I322-R326 HydrophobicContact CG1-CG 4.33Å; I322-R326 WeakPolarHBondContact O-CB 3.46Å; I322-R326 VanDerWaalsContact O-CG 3.25Å; I322-R326 WeakPolarHBondContact O-CG 3.47Å; I322-R326 PolarHBondContact O-N 3.24Å; T324-R326 VanDerWaalsContact C-N 3.31Å; T324-R326 PolarHBondContact O-N 3.44Å; R326-F328 PolarHBondContact O-N 3.45Å; R326-G329 PolarHBondContact O-N 3.14Å; R326-G329 VanDerWaalsContact O-N 3.08Å; R326-E331 WeakPolarHBondContact CD-OE1 3.39Å; R326-E331 IonicContact CZ-OE1 3.65Å; R326-E331 IonicContact NE-OE1 3.75Å; R326-E331 IonicContact NH1-OE1 2.73Å; R326-E331 PolarHBondContact NH1-OE1 3.46Å
327	A	97.4	Very high	96.7	Very high	81 Å²	81	91.6 Å²	91.6	67%	0.669	48%	0.481	S	S	*	.	H	α-helix	trans	-60.8	-30.4	-178.3	0	0	0	0	0	113.5	R323 T324	R323-A327 WeakPolarHBondContact O-CB 3.5Å; R323-A327 PolarHBondContact O-N 2.89Å; T324-A327 PolarHBondContact O-N 3.33Å
328	F	97.8	Very high	96.9	Very high	145 Å²	145	91.3 Å²	91.3	64%	0.636	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	6.1	176.4	-69	-72.7	0	0	0	114.5	T324 R326 K330	T324-F328 HydrophobicContact CG2-CD2 3.98Å; T324-F328 HydrophobicContact CG2-CE2 3.97Å; T324-F328 WeakPolarHBondContact O-CD2 3.47Å; T324-F328 PolarHBondContact O-N 2.91Å; R326-F328 PolarHBondContact O-N 3.45Å; F328-K330 HydrophobicContact CB-CG 3.91Å; F328-K330 WeakPolarHBondContact O-CD 3.32Å; F328-K330 VanDerWaalsContact O-CE 3.28Å; F328-K330 WeakPolarHBondContact O-CE 3.26Å; F328-K330 WeakPolarHBondContact O-CG 3.13Å; F328-K330 PolarHBondContact O-N 2.82Å
329	G	96.9	Very high	97	Very high	54 Å²	54	91.2 Å²	91.2	56%	0.557	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	41.3	178.9	0	0	0	0	0	113.7	V325 R326 E331	V325-G329 PolarHBondContact O-N 3.42Å; R326-G329 PolarHBondContact O-N 3.14Å; R326-G329 VanDerWaalsContact O-N 3.08Å; G329-E331 VanDerWaalsContact CA-OE2 3.26Å; G329-E331 WeakPolarHBondContact CA-OE2 3.32Å
330	K	97.9	Very high	97.1	Very high	109 Å²	109	92.1 Å²	92.1	47%	0.474	48%	0.484	S	S	.	.			trans	-104	4.8	-172.4	-60.6	-50.4	178.8	-163	0	115.1	V325 F328 L332 S333 E334	V325-K330 HydrophobicContact CG1-CB 4.2Å; V325-K330 PolarHBondContact O-N 2.86Å; F328-K330 HydrophobicContact CB-CG 3.91Å; F328-K330 WeakPolarHBondContact O-CD 3.32Å; F328-K330 VanDerWaalsContact O-CE 3.28Å; F328-K330 WeakPolarHBondContact O-CE 3.26Å; F328-K330 WeakPolarHBondContact O-CG 3.13Å; F328-K330 PolarHBondContact O-N 2.82Å; K330-L332 VanDerWaalsContact C-N 3.32Å; K330-L332 PolarHBondContact O-N 3.28Å; K330-S333 PolarHBondContact O-N 3.37Å; K330-E334 HydrophobicContact CB-CG 4.3Å; K330-E334 WeakPolarHBondContact O-CG 3.38Å; K330-E334 PolarHBondContact O-N 3.3Å
331	E	97.6	Very high	97.2	Very high	58 Å²	58	92.6 Å²	92.6	27%	0.271	47%	0.469	S	S	.	.	H	α-helix	trans	-51.2	-48	-174.2	-54.9	95	113.9	0	0	112.9	V325 R326 G329 E334 V335	V325-E331 HydrophobicContact CG1-CG 4.32Å; R326-E331 WeakPolarHBondContact CD-OE1 3.39Å; R326-E331 IonicContact CZ-OE1 3.65Å; R326-E331 IonicContact NE-OE1 3.75Å; R326-E331 IonicContact NH1-OE1 2.73Å; R326-E331 PolarHBondContact NH1-OE1 3.46Å; G329-E331 VanDerWaalsContact CA-OE2 3.26Å; G329-E331 WeakPolarHBondContact CA-OE2 3.32Å; E331-E334 PolarHBondContact O-N 3.08Å; E331-V335 WeakPolarHBondContact O-CG2 3.49Å; E331-V335 PolarHBondContact O-N 3.4Å
332	L	97.7	Very high	97.3	Very high	140 Å²	140	90.7 Å²	90.7	73%	0.733	46%	0.46	S	S	*	.	H	α-helix	trans	-65.3	-42.8	178	-61.2	177.6	0	0	0	111.9	K330 E334 V335 D336	K330-L332 VanDerWaalsContact C-N 3.32Å; K330-L332 PolarHBondContact O-N 3.28Å; L332-E334 VanDerWaalsContact C-N 3.32Å; L332-E334 PolarHBondContact O-N 3.31Å; L332-V335 WeakPolarHBondContact O-CB 3.27Å; L332-V335 PolarHBondContact O-N 3.3Å; L332-D336 VanDerWaalsContact O-CG 3.3Å; L332-D336 PolarHBondContact O-N 3.48Å
333	S	97.1	Very high	97.4	Very high	49 Å²	49	91.2 Å²	91.2	34%	0.343	46%	0.464	S	S	.	.	H	α-helix	trans	-66.4	-32.4	179.6	-173.9	0	0	0	0	112.9	K330 K337	K330-S333 PolarHBondContact O-N 3.37Å; S333-K337 WeakPolarHBondContact O-CD 3.49Å; S333-K337 VanDerWaalsContact O-CG 3.23Å; S333-K337 WeakPolarHBondContact O-CG 3.47Å; S333-K337 PolarHBondContact O-N 2.96Å; S333-K337 VanDerWaalsContact O-N 3.08Å
334	E	97.4	Very high	97.5	Very high	25 Å²	25	87 Å²	87	12%	0.117	45%	0.449	C	S	.	.	H	α-helix	trans	-76.8	-31.8	173.9	-59.1	-55.7	140.4	0	0	112.1	R318 V325 K330 E331 L332 K337 Y338	R318-E334 WeakPolarHBondContact CD-OE2 3.42Å; R318-E334 HydrophobicContact CG-CB 4.35Å; R318-E334 HydrophobicContact CG-CG 4.29Å; R318-E334 IonicContact CZ-OE2 3.59Å; R318-E334 IonicContact NE-OE1 2.67Å; R318-E334 IonicContact NE-OE2 3.21Å; R318-E334 PolarHBondContact NE-OE2 2.83Å; V325-E334 HydrophobicContact CG1-CG 3.98Å; K330-E334 HydrophobicContact CB-CG 4.3Å; K330-E334 WeakPolarHBondContact O-CG 3.38Å; K330-E334 PolarHBondContact O-N 3.3Å; E331-E334 PolarHBondContact O-N 3.08Å; L332-E334 VanDerWaalsContact C-N 3.32Å; L332-E334 PolarHBondContact O-N 3.31Å; E334-K337 IonicContact OE1-NZ 3.54Å; E334-K337 PolarHBondContact OE1-NZ 3.09Å; E334-K337 WeakPolarHBondContact OE2-CD 3.43Å; E334-K337 IonicContact OE2-NZ 3.64Å; E334-Y338 WeakPolarHBondContact O-CB 3.46Å; E334-Y338 PolarHBondContact O-N 3.41Å
335	V	97.8	Very high	97.5	Very high	85 Å²	85	84.3 Å²	84.3	52%	0.515	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-44.3	167.7	167.4	0	0	0	0	110.9	E331 L332 Y338 T339	E331-V335 WeakPolarHBondContact O-CG2 3.49Å; E331-V335 PolarHBondContact O-N 3.4Å; L332-V335 WeakPolarHBondContact O-CB 3.27Å; L332-V335 PolarHBondContact O-N 3.3Å; V335-Y338 PolarHBondContact O-N 3.22Å; V335-T339 WeakPolarHBondContact O-CB 3.47Å; V335-T339 PolarHBondContact O-N 3.43Å; V335-T339 PolarHBondContact O-OG1 3.03Å
336	D	97.9	Very high	97.5	Very high	106 Å²	106	86.9 Å²	86.9	57%	0.567	45%	0.445	S	S	*	.	H	α-helix	trans	-62.5	-46	177.3	-65.2	-33.3	0	0	0	111.8	L332 T339 Q340	L332-D336 VanDerWaalsContact O-CG 3.3Å; L332-D336 PolarHBondContact O-N 3.48Å; D336-T339 WeakPolarHBondContact O-CB 3.33Å; D336-T339 PolarHBondContact O-N 3.06Å; D336-Q340 PolarHBondContact O-N 3.23Å
337	K	96.8	Very high	97.5	Very high	92 Å²	92	82.1 Å²	82.1	40%	0.4	44%	0.436	S	S	.	.	H	α-helix	trans	-61.3	-43.8	176.3	-72	165.7	-171.7	177.8	0	112.4	L314 S333 E334 Q340 K341	L314-K337 HydrophobicContact CD2-CB 4.33Å; S333-K337 WeakPolarHBondContact O-CD 3.49Å; S333-K337 VanDerWaalsContact O-CG 3.23Å; S333-K337 WeakPolarHBondContact O-CG 3.47Å; S333-K337 PolarHBondContact O-N 2.96Å; S333-K337 VanDerWaalsContact O-N 3.08Å; E334-K337 IonicContact OE1-NZ 3.54Å; E334-K337 PolarHBondContact OE1-NZ 3.09Å; E334-K337 WeakPolarHBondContact OE2-CD 3.43Å; E334-K337 IonicContact OE2-NZ 3.64Å; K337-Q340 PolarHBondContact O-N 3.09Å; K337-K341 PolarHBondContact O-N 2.92Å; K337-K341 VanDerWaalsContact O-N 3.08Å
338	Y	97.9	Very high	97.5	Very high	88 Å²	88	79.3 Å²	79.3	35%	0.345	41%	0.41	S	S	.	.	H	α-helix	trans	-64.9	-42.9	176.2	-179.1	-98.1	0	0	0	111	A311 A315 E334 V335 Q340 K341 T342	A311-Y338 HydrophobicContact CB-CE2 4.19Å; A311-Y338 WeakPolarHBondContact O-CE2 3.37Å; A315-Y338 HydrophobicContact CB-CD2 4.14Å; A315-Y338 HydrophobicContact CB-CE2 3.86Å; E334-Y338 WeakPolarHBondContact O-CB 3.46Å; E334-Y338 PolarHBondContact O-N 3.41Å; V335-Y338 PolarHBondContact O-N 3.22Å; Y338-Q340 PolarHBondContact O-N 3.12Å; Y338-K341 WeakPolarHBondContact O-CB 3.34Å; Y338-K341 PolarHBondContact O-N 3.41Å; Y338-K341 VanDerWaalsContact O-N 3.16Å; Y338-T342 HydrophobicContact CD1-CG2 4.08Å; Y338-T342 HydrophobicContact CE1-CG2 3.54Å; Y338-T342 HydrophobicContact CE2-CG2 4.15Å; Y338-T342 PolarHBondContact O-N 2.86Å; Y338-T342 PolarHBondContact O-OG1 2.87Å
339	T	97.9	Very high	97.4	Very high	62 Å²	62	74.2 Å²	74.2	38%	0.38	39%	0.394	S	S	.	.	H	α-helix	trans	-56.8	-50.5	175.8	-57	0	0	0	0	110.7	V335 D336 K341 T342 D343	V335-T339 WeakPolarHBondContact O-CB 3.47Å; V335-T339 PolarHBondContact O-N 3.43Å; V335-T339 PolarHBondContact O-OG1 3.03Å; D336-T339 WeakPolarHBondContact O-CB 3.33Å; D336-T339 PolarHBondContact O-N 3.06Å; T339-K341 VanDerWaalsContact C-N 3.33Å; T339-K341 PolarHBondContact O-N 3.43Å; T339-T342 WeakPolarHBondContact CA-OG1 3.49Å; T339-T342 CarbonylContact O-C 3.49Å; T339-T342 WeakPolarHBondContact O-CA 3.19Å; T339-T342 PolarHBondContact O-N 2.97Å; T339-T342 PolarHBondContact O-OG1 3.33Å; T339-D343 PolarHBondContact O-N 3.02Å
340	Q	97.5	Very high	97.4	Very high	144 Å²	144	79.6 Å²	79.6	67%	0.673	40%	0.398	S	S	*	.	H	α-helix	trans	-57.5	-40.9	176.3	-170.2	-172.8	42.7	0	0	112.9	D336 K337 Y338 Y344	D336-Q340 PolarHBondContact O-N 3.23Å; K337-Q340 PolarHBondContact O-N 3.09Å; Y338-Q340 PolarHBondContact O-N 3.12Å; Q340-Y344 PolarHBondContact O-N 3.5Å
341	K	96.9	Very high	97.3	Very high	73 Å²	73	79.7 Å²	79.7	32%	0.317	40%	0.398	S	S	.	.	H	α-helix	trans	-63.9	-42.9	173.2	-78.7	-73.4	-167.5	178.3	0	111.5	A311 L314 K337 Y338 T339 Y344 V345	A311-K341 HydrophobicContact CB-CB 4Å; L314-K341 HydrophobicContact CD2-CG 4.22Å; K337-K341 PolarHBondContact O-N 2.92Å; K337-K341 VanDerWaalsContact O-N 3.08Å; Y338-K341 WeakPolarHBondContact O-CB 3.34Å; Y338-K341 PolarHBondContact O-N 3.41Å; Y338-K341 VanDerWaalsContact O-N 3.16Å; T339-K341 VanDerWaalsContact C-N 3.33Å; T339-K341 PolarHBondContact O-N 3.43Å; K341-Y344 PolarHBondContact O-N 3.04Å; K341-V345 WeakPolarHBondContact O-CG2 3.25Å; K341-V345 PolarHBondContact O-N 2.9Å; K341-V345 VanDerWaalsContact O-N 3.1Å
342	T	97.6	Very high	97.1	Very high	44 Å²	44	77.7 Å²	77.7	27%	0.27	39%	0.389	S	S	.	.	H	α-helix	trans	-69.9	-31.6	177.9	55	0	0	0	0	113.8	Y338 T339 Y344 V345 L346	Y338-T342 HydrophobicContact CD1-CG2 4.08Å; Y338-T342 HydrophobicContact CE1-CG2 3.54Å; Y338-T342 HydrophobicContact CE2-CG2 4.15Å; Y338-T342 PolarHBondContact O-N 2.86Å; Y338-T342 PolarHBondContact O-OG1 2.87Å; T339-T342 WeakPolarHBondContact CA-OG1 3.49Å; T339-T342 CarbonylContact O-C 3.49Å; T339-T342 WeakPolarHBondContact O-CA 3.19Å; T339-T342 PolarHBondContact O-N 2.97Å; T339-T342 PolarHBondContact O-OG1 3.33Å; T342-Y344 VanDerWaalsContact C-N 3.35Å; T342-V345 PolarHBondContact O-N 2.66Å; T342-L346 WeakPolarHBondContact O-CB 3.25Å; T342-L346 PolarHBondContact O-N 3.44Å
343	D	98.1	Very high	97	Very high	91 Å²	91	73.5 Å²	73.5	49%	0.487	37%	0.374	S	S	.	.	H	α-helix	trans	-65.4	-38.3	172.4	-80	-39.7	0	0	0	111.7	T339 L346 S347	T339-D343 PolarHBondContact O-N 3.02Å; D343-L346 PolarHBondContact O-N 3.29Å; D343-S347 PolarHBondContact O-N 2.79Å
344	Y	97.3	Very high	97	Very high	132 Å²	132	76.1 Å²	76.1	52%	0.518	39%	0.388	S	S	.	.	H	α-helix	trans	-63.4	-44.8	172	-179.2	-111.6	0	0	0	111.6	A307 Q340 K341 T342 L346 S347 L348	A307-Y344 HydrophobicContact CB-CD1 3.97Å; A307-Y344 HydrophobicContact CB-CE1 3.85Å; Q340-Y344 PolarHBondContact O-N 3.5Å; K341-Y344 PolarHBondContact O-N 3.04Å; T342-Y344 VanDerWaalsContact C-N 3.35Å; Y344-L346 VanDerWaalsContact C-N 3.33Å; Y344-L346 PolarHBondContact O-N 3.17Å; Y344-S347 WeakPolarHBondContact O-CB 3.47Å; Y344-S347 PolarHBondContact O-N 2.77Å; Y344-S347 PolarHBondContact O-OG 3.38Å; Y344-L348 HydrophobicContact CD1-CD1 4.21Å; Y344-L348 HydrophobicContact CE1-CD1 3.63Å; Y344-L348 HydrophobicContact CE1-CG 4.42Å; Y344-L348 PolarHBondContact O-N 3.42Å; Y344-L348 VanDerWaalsContact O-N 3.11Å
345	V	97.9	Very high	96.8	Very high	18 Å²	18	75.7 Å²	75.7	11%	0.109	39%	0.386	C	S	.	.	H	α-helix	trans	-59	-42.7	172.8	175.2	0	0	0	0	111.3	T304 A307 L308 K341 T342 S347 L348 A349	T304-V345 HydrophobicContact CG2-CG1 4.43Å; A307-V345 HydrophobicContact CB-CG2 3.88Å; L308-V345 HydrophobicContact CB-CG1 4.27Å; L308-V345 HydrophobicContact CB-CG2 4.36Å; L308-V345 HydrophobicContact CD1-CG1 4.44Å; K341-V345 WeakPolarHBondContact O-CG2 3.25Å; K341-V345 PolarHBondContact O-N 2.9Å; K341-V345 VanDerWaalsContact O-N 3.1Å; T342-V345 PolarHBondContact O-N 2.66Å; V345-S347 VanDerWaalsContact C-N 3.33Å; V345-S347 PolarHBondContact O-N 2.96Å; V345-L348 PolarHBondContact O-N 2.88Å; V345-A349 VanDerWaalsContact O-CB 3.32Å; V345-A349 WeakPolarHBondContact O-CB 3.47Å; V345-A349 PolarHBondContact O-N 2.89Å
346	L	97.6	Very high	96.6	Very high	71 Å²	71	77.3 Å²	77.3	37%	0.372	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-37.4	176.2	178.5	60.5	0	0	0	112	T342 D343 Y344 A349 R350	T342-L346 WeakPolarHBondContact O-CB 3.25Å; T342-L346 PolarHBondContact O-N 3.44Å; D343-L346 PolarHBondContact O-N 3.29Å; Y344-L346 VanDerWaalsContact C-N 3.33Å; Y344-L346 PolarHBondContact O-N 3.17Å; L346-A349 PolarHBondContact O-N 3.18Å; L346-R350 HydrophobicContact CD1-CG 4.27Å; L346-R350 WeakPolarHBondContact O-CB 3.31Å; L346-R350 VanDerWaalsContact O-CG 3.27Å; L346-R350 WeakPolarHBondContact O-CG 3.12Å; L346-R350 PolarHBondContact O-N 2.84Å
347	S	97.5	Very high	96.4	Very high	58 Å²	58	75.9 Å²	75.9	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-64.1	-41.4	175.4	82.9	0	0	0	0	112.1	D343 Y344 V345 K351	D343-S347 PolarHBondContact O-N 2.79Å; Y344-S347 WeakPolarHBondContact O-CB 3.47Å; Y344-S347 PolarHBondContact O-N 2.77Å; Y344-S347 PolarHBondContact O-OG 3.38Å; V345-S347 VanDerWaalsContact C-N 3.33Å; V345-S347 PolarHBondContact O-N 2.96Å; S347-K351 PolarHBondContact O-N 3.08Å
348	L	95.9	Very high	96.3	Very high	22 Å²	22	72.6 Å²	72.6	12%	0.115	37%	0.374	C	S	.	.	H	α-helix	trans	-69	-45	174.9	-68.3	175.3	0	0	0	111.4	T304 A307 Y344 V345 R350 K351 E352	T304-L348 HydrophobicContact CG2-CB 4.39Å; A307-L348 HydrophobicContact CB-CD1 3.65Å; Y344-L348 HydrophobicContact CD1-CD1 4.21Å; Y344-L348 HydrophobicContact CE1-CD1 3.63Å; Y344-L348 HydrophobicContact CE1-CG 4.42Å; Y344-L348 PolarHBondContact O-N 3.42Å; Y344-L348 VanDerWaalsContact O-N 3.11Å; V345-L348 PolarHBondContact O-N 2.88Å; L348-R350 VanDerWaalsContact C-N 3.33Å; L348-R350 PolarHBondContact O-N 3.36Å; L348-K351 CarbonylContact O-C 3.55Å; L348-K351 WeakPolarHBondContact O-CB 3.02Å; L348-K351 PolarHBondContact O-N 2.93Å; L348-K351 VanDerWaalsContact O-N 3.11Å; L348-E352 PolarHBondContact O-N 3.47Å
349	A	96.1	Very high	96	Very high	37 Å²	37	70.4 Å²	70.4	31%	0.306	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-36.2	177.8	0	0	0	0	0	112.5	T304 V345 L346 E352 A353	T304-A349 HydrophobicContact CG2-CB 3.99Å; V345-A349 VanDerWaalsContact O-CB 3.32Å; V345-A349 WeakPolarHBondContact O-CB 3.47Å; V345-A349 PolarHBondContact O-N 2.89Å; L346-A349 PolarHBondContact O-N 3.18Å; A349-E352 PolarHBondContact O-N 3.01Å; A349-A353 VanDerWaalsContact O-CB 3.3Å; A349-A353 WeakPolarHBondContact O-CB 3.31Å; A349-A353 PolarHBondContact O-N 3.18Å
350	R	97.7	Very high	95.7	Very high	168 Å²	168	73.5 Å²	73.5	63%	0.634	38%	0.375	S	S	*	.	H	α-helix	trans	-63.9	-44.1	171	-77.4	173.1	177.6	174.3	1.8	111.7	L346 L348 A353 V354	L346-R350 HydrophobicContact CD1-CG 4.27Å; L346-R350 WeakPolarHBondContact O-CB 3.31Å; L346-R350 VanDerWaalsContact O-CG 3.27Å; L346-R350 WeakPolarHBondContact O-CG 3.12Å; L346-R350 PolarHBondContact O-N 2.84Å; L348-R350 VanDerWaalsContact C-N 3.33Å; L348-R350 PolarHBondContact O-N 3.36Å; R350-A353 PolarHBondContact O-N 3.23Å; R350-V354 WeakPolarHBondContact O-CG2 3.45Å; R350-V354 PolarHBondContact O-N 3.25Å; R350-V354 VanDerWaalsContact O-N 3.11Å
351	K	95	Very high	95.5	Very high	111 Å²	111	68.9 Å²	68.9	48%	0.483	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-41.6	175.2	-175.2	172.5	-178.3	171.8	0	111.7	S347 L348 V354 I355	S347-K351 PolarHBondContact O-N 3.08Å; L348-K351 CarbonylContact O-C 3.55Å; L348-K351 WeakPolarHBondContact O-CB 3.02Å; L348-K351 PolarHBondContact O-N 2.93Å; L348-K351 VanDerWaalsContact O-N 3.11Å; K351-V354 PolarHBondContact O-N 2.89Å; K351-I355 HydrophobicContact CG-CD1 3.96Å; K351-I355 WeakPolarHBondContact O-CD1 3.45Å; K351-I355 VanDerWaalsContact O-CG1 3.31Å; K351-I355 WeakPolarHBondContact O-CG1 3.42Å; K351-I355 PolarHBondContact O-N 2.89Å; K351-I355 VanDerWaalsContact O-N 3.16Å
352	E	93.9	Very high	95.3	Very high	16 Å²	16	69.1 Å²	69.1	8%	0.075	37%	0.373	C	S	.	.	H	α-helix	trans	-60.7	-45.6	173.3	-167	-174.6	156.1	0	0	111.4	L297 I300 S301 T304 L348 A349 V354 I355 R356	L297-E352 HydrophobicContact CD1-CG 3.92Å; I300-E352 HydrophobicContact CG2-CB 3.87Å; I300-E352 HydrophobicContact CG2-CG 4.25Å; S301-E352 WeakPolarHBondContact CA-OE2 3.41Å; S301-E352 WeakPolarHBondContact CB-OE1 3.28Å; S301-E352 PolarHBondContact OG-OE1 3.25Å; T304-E352 WeakPolarHBondContact CB-OE2 3.43Å; T304-E352 PolarHBondContact OG1-OE2 3.24Å; L348-E352 PolarHBondContact O-N 3.47Å; A349-E352 PolarHBondContact O-N 3.01Å; E352-V354 VanDerWaalsContact C-N 3.35Å; E352-V354 PolarHBondContact O-N 2.75Å; E352-I355 PolarHBondContact O-N 2.83Å; E352-R356 WeakPolarHBondContact O-CB 3.32Å; E352-R356 PolarHBondContact O-N 3.23Å; E352-R356 IonicContact OE1-CZ 3.28Å; E352-R356 IonicContact OE1-NE 2.89Å; E352-R356 IonicContact OE1-NH2 3.87Å; E352-R356 PolarHBondContact OE1-NH2 3.08Å
353	A	96.1	Very high	94.9	Very high	52 Å²	52	69.2 Å²	69.2	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-61.3	-39.7	-179.8	0	0	0	0	0	112.7	A349 R350 R356 S357	A349-A353 VanDerWaalsContact O-CB 3.3Å; A349-A353 WeakPolarHBondContact O-CB 3.31Å; A349-A353 PolarHBondContact O-N 3.18Å; R350-A353 PolarHBondContact O-N 3.23Å; A353-R356 PolarHBondContact O-N 3.29Å; A353-S357 WeakPolarHBondContact O-CB 3.38Å; A353-S357 PolarHBondContact O-N 3.37Å; A353-S357 PolarHBondContact O-OG 2.83Å
354	V	96.6	Very high	94.5	Very high	103 Å²	103	66.5 Å²	66.5	62%	0.624	37%	0.367	S	S	*	.	H	α-helix	trans	-66.5	-41.5	175.1	172.6	0	0	0	0	111.8	R350 K351 E352 S357 G358	R350-V354 WeakPolarHBondContact O-CG2 3.45Å; R350-V354 PolarHBondContact O-N 3.25Å; R350-V354 VanDerWaalsContact O-N 3.11Å; K351-V354 PolarHBondContact O-N 2.89Å; E352-V354 VanDerWaalsContact C-N 3.35Å; E352-V354 PolarHBondContact O-N 2.75Å; V354-S357 PolarHBondContact O-OG 2.79Å; V354-S357 VanDerWaalsContact O-OG 3.09Å; V354-G358 PolarHBondContact O-N 2.88Å
355	I	93.3	Very high	94.3	Very high	17 Å²	17	65.2 Å²	65.2	9%	0.087	37%	0.369	C	S	.	.	H	α-helix	trans	-70	-36.5	177.5	-65	165.9	0	0	0	110.3	Y293 Y296 L297 I300 K351 E352 F359	Y293-I355 HydrophobicContact CE1-CG2 3.82Å; Y293-I355 WeakPolarHBondContact CE1-O 3.45Å; Y296-I355 HydrophobicContact CD1-CD1 4.48Å; Y296-I355 HydrophobicContact CD1-CG2 3.92Å; Y296-I355 HydrophobicContact CE1-CD1 3.61Å; Y296-I355 HydrophobicContact CE1-CG1 4.07Å; Y296-I355 HydrophobicContact CE1-CG2 3.98Å; L297-I355 HydrophobicContact CB-CG2 4.15Å; L297-I355 HydrophobicContact CD1-CB 4.4Å; L297-I355 HydrophobicContact CD1-CG2 4Å; I300-I355 HydrophobicContact CB-CD1 4.49Å; I300-I355 HydrophobicContact CG1-CD1 3.79Å; I300-I355 HydrophobicContact CG2-CD1 4.45Å; K351-I355 HydrophobicContact CG-CD1 3.96Å; K351-I355 WeakPolarHBondContact O-CD1 3.45Å; K351-I355 VanDerWaalsContact O-CG1 3.31Å; K351-I355 WeakPolarHBondContact O-CG1 3.42Å; K351-I355 PolarHBondContact O-N 2.89Å; K351-I355 VanDerWaalsContact O-N 3.16Å; E352-I355 PolarHBondContact O-N 2.83Å; I355-F359 WeakPolarHBondContact O-CB 3.36Å; I355-F359 PolarHBondContact O-N 3.21Å
356	R	92.9	Very high	94	Very high	118 Å²	118	65.9 Å²	65.9	45%	0.445	37%	0.374	S	S	.	.	H	α-helix	trans	-69.6	-40.8	177	-173.7	-176.1	-72.5	-132.1	6.3	112.1	L297 E352 A353 F359 F360	L297-R356 HydrophobicContact CD1-CB 3.99Å; L297-R356 HydrophobicContact CD2-CB 4.35Å; L297-R356 HydrophobicContact CD2-CG 4.37Å; E352-R356 WeakPolarHBondContact O-CB 3.32Å; E352-R356 PolarHBondContact O-N 3.23Å; E352-R356 IonicContact OE1-CZ 3.28Å; E352-R356 IonicContact OE1-NE 2.89Å; E352-R356 IonicContact OE1-NH2 3.87Å; E352-R356 PolarHBondContact OE1-NH2 3.08Å; A353-R356 PolarHBondContact O-N 3.29Å; R356-F359 PolarHBondContact O-N 3.36Å; R356-F360 HydrophobicContact CG-CD2 3.84Å; R356-F360 HydrophobicContact CG-CE2 3.7Å; R356-F360 VanDerWaalsContact O-CD2 3.25Å; R356-F360 WeakPolarHBondContact O-CD2 3.43Å; R356-F360 PolarHBondContact O-N 3.46Å
357	S	94.9	Very high	93.6	Very high	76 Å²	76	63.7 Å²	63.7	53%	0.531	37%	0.368	S	S	.	.	H	α-helix	trans	-69.9	-39.5	175.9	65.2	0	0	0	0	111.7	A353 V354 F360 G361	A353-S357 WeakPolarHBondContact O-CB 3.38Å; A353-S357 PolarHBondContact O-N 3.37Å; A353-S357 PolarHBondContact O-OG 2.83Å; V354-S357 PolarHBondContact O-OG 2.79Å; V354-S357 VanDerWaalsContact O-OG 3.09Å; S357-F360 PolarHBondContact O-N 3.06Å; S357-G361 PolarHBondContact O-N 3.48Å
358	G	94.1	Very high	93.3	Very high	24 Å²	24	66.3 Å²	66.3	25%	0.247	38%	0.378	C	S	.	.	H	α-helix	trans	-58.2	-46.1	169.9	0	0	0	0	0	112.4	V354 G361 V362	V354-G358 PolarHBondContact O-N 2.88Å; G358-G361 PolarHBondContact O-N 3.31Å; G358-V362 WeakPolarHBondContact O-CG2 3.49Å; G358-V362 PolarHBondContact O-N 3.3Å
359	F	91.6	Very high	93.2	Very high	42 Å²	42	69.4 Å²	69.4	18%	0.184	39%	0.394	C	S	.	.	H	α-helix	trans	-57.2	-57.3	174.3	178	-99.9	0	0	0	111.9	A290 Y293 L297 I355 R356 G361 V362 T363	A290-F359 HydrophobicContact CB-CE2 4.46Å; Y293-F359 HydrophobicContact CD1-CB 3.89Å; Y293-F359 AromaticContact CD1-CD2 3.73Å; Y293-F359 HydrophobicContact CD1-CD2 3.73Å; Y293-F359 HydrophobicContact CD1-CG 4.29Å; Y293-F359 HydrophobicContact CE1-CB 3.76Å; Y293-F359 HydrophobicContact CE1-CD2 4.45Å; Y293-F359 AromaticContact CG-CD2 3.92Å; Y293-F359 HydrophobicContact CG-CD2 3.92Å; L297-F359 HydrophobicContact CD2-CB 4.44Å; L297-F359 HydrophobicContact CD2-CD1 4.4Å; L297-F359 HydrophobicContact CD2-CG 4.37Å; I355-F359 WeakPolarHBondContact O-CB 3.36Å; I355-F359 PolarHBondContact O-N 3.21Å; R356-F359 PolarHBondContact O-N 3.36Å; F359-G361 VanDerWaalsContact C-N 3.32Å; F359-G361 PolarHBondContact O-N 2.84Å; F359-V362 PolarHBondContact O-N 3.11Å; F359-T363 HydrophobicContact CD2-CG2 4.26Å; F359-T363 HydrophobicContact CE1-CG2 4.16Å; F359-T363 HydrophobicContact CE2-CG2 3.9Å; F359-T363 HydrophobicContact CZ-CG2 3.85Å; F359-T363 PolarHBondContact O-N 2.96Å; F359-T363 PolarHBondContact O-OG1 3.33Å; F359-T363 VanDerWaalsContact O-OG1 3.11Å
360	F	90.9	Very high	92.9	Very high	127 Å²	127	69.8 Å²	69.8	56%	0.557	39%	0.39	S	S	*	.	H	α-helix	trans	-61.7	-37.2	-178.6	-81.4	-62.8	0	0	0	113.1	R356 S357 T363 G364	R356-F360 HydrophobicContact CG-CD2 3.84Å; R356-F360 HydrophobicContact CG-CE2 3.7Å; R356-F360 VanDerWaalsContact O-CD2 3.25Å; R356-F360 WeakPolarHBondContact O-CD2 3.43Å; R356-F360 PolarHBondContact O-N 3.46Å; S357-F360 PolarHBondContact O-N 3.06Å; F360-T363 WeakPolarHBondContact CA-OG1 3.31Å; F360-T363 PolarHBondContact O-OG1 3.34Å; F360-G364 PolarHBondContact O-N 2.9Å
361	G	93.9	Very high	92.6	Very high	46 Å²	46	66.2 Å²	66.2	47%	0.474	38%	0.383	S	S	.	.	H	α-helix	trans	-62.5	-48.1	175.2	0	0	0	0	0	112.3	S357 G358 F359 L365	S357-G361 PolarHBondContact O-N 3.48Å; G358-G361 PolarHBondContact O-N 3.31Å; F359-G361 VanDerWaalsContact C-N 3.32Å; F359-G361 PolarHBondContact O-N 2.84Å; G361-L365 VanDerWaalsContact O-CB 3.28Å; G361-L365 WeakPolarHBondContact O-CB 3.35Å; G361-L365 PolarHBondContact O-N 3.27Å
362	V	91.6	Very high	92.5	Very high	79 Å²	79	65.9 Å²	65.9	48%	0.479	39%	0.386	S	S	.	.	H	α-helix	trans	-65.3	-45.9	177.6	171.6	0	0	0	0	111.5	G358 F359 S366	G358-V362 WeakPolarHBondContact O-CG2 3.49Å; G358-V362 PolarHBondContact O-N 3.3Å; F359-V362 PolarHBondContact O-N 3.11Å; V362-S366 VanDerWaalsContact O-CB 3.31Å; V362-S366 WeakPolarHBondContact O-CB 3.47Å; V362-S366 PolarHBondContact O-N 3.41Å; V362-S366 PolarHBondContact O-OG 2.66Å
363	T	89.1	Confident	92.5	Very high	46 Å²	46	67.3 Å²	67.3	28%	0.282	40%	0.397	S	S	.	.	H	α-helix	trans	-67.7	-38.4	179.7	55.9	0	0	0	0	112.3	A290 F359 F360 S366 G367	A290-T363 HydrophobicContact CB-CG2 4.4Å; F359-T363 HydrophobicContact CD2-CG2 4.26Å; F359-T363 HydrophobicContact CE1-CG2 4.16Å; F359-T363 HydrophobicContact CE2-CG2 3.9Å; F359-T363 HydrophobicContact CZ-CG2 3.85Å; F359-T363 PolarHBondContact O-N 2.96Å; F359-T363 PolarHBondContact O-OG1 3.33Å; F359-T363 VanDerWaalsContact O-OG1 3.11Å; F360-T363 WeakPolarHBondContact CA-OG1 3.31Å; F360-T363 PolarHBondContact O-OG1 3.34Å; T363-S366 PolarHBondContact O-N 2.91Å; T363-G367 PolarHBondContact O-N 3.32Å
364	G	90.1	Very high	92.3	Very high	34 Å²	34	65 Å²	65	35%	0.351	38%	0.378	S	S	.	.	H	α-helix	trans	-66.7	-45.1	177.2	0	0	0	0	0	112.2	F360 G367 N368	F360-G364 PolarHBondContact O-N 2.9Å; G364-G367 PolarHBondContact O-N 3.42Å; G364-N368 WeakPolarHBondContact O-CB 3.47Å; G364-N368 VanDerWaalsContact O-CG 3.31Å; G364-N368 PolarHBondContact O-N 2.88Å
365	L	93.6	Very high	92.1	Very high	105 Å²	105	64.3 Å²	64.3	55%	0.55	37%	0.37	S	S	.	.	H	α-helix	trans	-61.4	-44.9	173.6	-179.8	60.8	0	0	0	111.4	G361 G367 N368 L369	G361-L365 VanDerWaalsContact O-CB 3.28Å; G361-L365 WeakPolarHBondContact O-CB 3.35Å; G361-L365 PolarHBondContact O-N 3.27Å; L365-G367 PolarHBondContact O-N 3.45Å; L365-N368 PolarHBondContact O-N 3.5Å; L365-L369 HydrophobicContact CD1-CD1 3.97Å; L365-L369 HydrophobicContact CD1-CG 4.04Å; L365-L369 HydrophobicContact CG-CD1 3.89Å; L365-L369 HydrophobicContact CG-CG 4.37Å; L365-L369 WeakPolarHBondContact O-CB 3.32Å; L365-L369 VanDerWaalsContact O-CG 3.3Å; L365-L369 WeakPolarHBondContact O-CG 3.4Å; L365-L369 PolarHBondContact O-N 2.87Å
366	S	91.1	Very high	92.2	Very high	31 Å²	31	71.1 Å²	71.1	22%	0.217	40%	0.396	C	S	.	.	H	α-helix	trans	-61.7	-41.8	177.9	-57.5	0	0	0	0	112.2	V362 T363 M370	V362-S366 VanDerWaalsContact O-CB 3.31Å; V362-S366 WeakPolarHBondContact O-CB 3.47Å; V362-S366 PolarHBondContact O-N 3.41Å; V362-S366 PolarHBondContact O-OG 2.66Å; T363-S366 PolarHBondContact O-N 2.91Å; S366-M370 VanDerWaalsContact O-CB 3.3Å; S366-M370 WeakPolarHBondContact O-CB 3.29Å; S366-M370 PolarHBondContact O-N 3.45Å
367	G	89.6	Confident	92.2	Very high	25 Å²	25	68.1 Å²	68.1	26%	0.258	39%	0.386	S	S	.	.	H	α-helix	trans	-63.4	-45.4	175.3	0	0	0	0	0	112.7	T363 G364 L365 M370 I371	T363-G367 PolarHBondContact O-N 3.32Å; G364-G367 PolarHBondContact O-N 3.42Å; L365-G367 PolarHBondContact O-N 3.45Å; G367-M370 WeakPolarHBondContact O-CB 3.44Å; G367-M370 PolarHBondContact O-N 3.4Å; G367-I371 WeakPolarHBondContact O-CG1 3.27Å; G367-I371 PolarHBondContact O-N 2.65Å
368	N	91.9	Very high	92.1	Very high	113 Å²	113	64.5 Å²	64.5	60%	0.604	36%	0.361	S	S	*	.	H	α-helix	trans	-64.6	-42.8	177.4	-70.8	-10.8	0	0	0	112.1	G364 L365 I371 L372	G364-N368 WeakPolarHBondContact O-CB 3.47Å; G364-N368 VanDerWaalsContact O-CG 3.31Å; G364-N368 PolarHBondContact O-N 2.88Å; L365-N368 PolarHBondContact O-N 3.5Å; N368-I371 PolarHBondContact O-N 3.03Å; N368-L372 WeakPolarHBondContact O-CB 3.43Å; N368-L372 PolarHBondContact O-N 3.46Å
369	L	93.1	Very high	92.1	Very high	88 Å²	88	65 Å²	65	46%	0.461	37%	0.366	S	S	.	.	H	α-helix	trans	-66.4	-35.6	176.1	-71.1	174.7	0	0	0	112.2	L365 S373	L365-L369 HydrophobicContact CD1-CD1 3.97Å; L365-L369 HydrophobicContact CD1-CG 4.04Å; L365-L369 HydrophobicContact CG-CD1 3.89Å; L365-L369 HydrophobicContact CG-CG 4.37Å; L365-L369 WeakPolarHBondContact O-CB 3.32Å; L365-L369 VanDerWaalsContact O-CG 3.3Å; L365-L369 WeakPolarHBondContact O-CG 3.4Å; L365-L369 PolarHBondContact O-N 2.87Å; L369-S373 VanDerWaalsContact O-CB 3.3Å; L369-S373 WeakPolarHBondContact O-CB 3.47Å; L369-S373 PolarHBondContact O-N 3.25Å; L369-S373 PolarHBondContact O-OG 2.88Å
370	M	90.5	Very high	92.1	Very high	44 Å²	44	67.3 Å²	67.3	22%	0.217	38%	0.38	C	S	.	.	H	α-helix	trans	-62.6	-49.9	172.6	-179	-171.3	73.2	0	0	111	I282 V283 S366 G367 L372 S373 V374	I282-M370 HydrophobicContact CG2-CG 4.46Å; V283-M370 HydrophobicContact CG2-SD 3.63Å; S366-M370 VanDerWaalsContact O-CB 3.3Å; S366-M370 WeakPolarHBondContact O-CB 3.29Å; S366-M370 PolarHBondContact O-N 3.45Å; G367-M370 WeakPolarHBondContact O-CB 3.44Å; G367-M370 PolarHBondContact O-N 3.4Å; M370-L372 VanDerWaalsContact C-N 3.34Å; M370-L372 PolarHBondContact O-N 2.99Å; M370-S373 PolarHBondContact O-N 2.91Å; M370-V374 WeakPolarHBondContact O-CG2 3.42Å; M370-V374 PolarHBondContact O-N 2.86Å
371	I	91.2	Very high	92.2	Very high	94 Å²	94	62.7 Å²	62.7	48%	0.482	36%	0.361	S	S	.	.	H	α-helix	trans	-60	-45	177.6	-67	164.7	0	0	0	110.7	G367 N368 S373 V374 L375	G367-I371 WeakPolarHBondContact O-CG1 3.27Å; G367-I371 PolarHBondContact O-N 2.65Å; N368-I371 PolarHBondContact O-N 3.03Å; I371-S373 VanDerWaalsContact C-N 3.34Å; I371-S373 PolarHBondContact O-N 2.85Å; I371-V374 PolarHBondContact O-N 3.13Å; I371-L375 WeakPolarHBondContact O-CB 3.35Å; I371-L375 PolarHBondContact O-N 2.64Å
372	L	93.6	Very high	92.1	Very high	104 Å²	104	61.7 Å²	61.7	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-62.3	-39.6	176.8	-177.5	61.7	0	0	0	112.3	N368 M370 L375 Y376	N368-L372 WeakPolarHBondContact O-CB 3.43Å; N368-L372 PolarHBondContact O-N 3.46Å; M370-L372 VanDerWaalsContact C-N 3.34Å; M370-L372 PolarHBondContact O-N 2.99Å; L372-L375 PolarHBondContact O-N 3.42Å; L372-Y376 VanDerWaalsContact O-CB 3.3Å; L372-Y376 WeakPolarHBondContact O-CB 3.27Å; L372-Y376 PolarHBondContact O-N 2.98Å
373	S	92.1	Very high	92	Very high	46 Å²	46	61.7 Å²	61.7	32%	0.322	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-39	177.2	-59.4	0	0	0	0	112.1	L369 M370 I371 K377	L369-S373 VanDerWaalsContact O-CB 3.3Å; L369-S373 WeakPolarHBondContact O-CB 3.47Å; L369-S373 PolarHBondContact O-N 3.25Å; L369-S373 PolarHBondContact O-OG 2.88Å; M370-S373 PolarHBondContact O-N 2.91Å; I371-S373 VanDerWaalsContact C-N 3.34Å; I371-S373 PolarHBondContact O-N 2.85Å; S373-K377 WeakPolarHBondContact O-CB 3.4Å; S373-K377 PolarHBondContact O-N 3.26Å
374	V	92.2	Very high	92	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.024	36%	0.36	C	S	.	.	H	α-helix	trans	-68	-43.3	175	174.1	0	0	0	0	110.7	I279 M370 I371 G378 F395 L396	I279-V374 HydrophobicContact CD1-CG1 4.28Å; I279-V374 HydrophobicContact CD1-CG2 3.6Å; I279-V374 HydrophobicContact CG1-CG2 3.54Å; M370-V374 WeakPolarHBondContact O-CG2 3.42Å; M370-V374 PolarHBondContact O-N 2.86Å; I371-V374 PolarHBondContact O-N 3.13Å; V374-G378 WeakPolarHBondContact O-CA 3.46Å; V374-G378 PolarHBondContact O-N 2.88Å; V374-F395 HydrophobicContact CG1-CD1 4.1Å; V374-F395 HydrophobicContact CG1-CE1 3.83Å; V374-L396 HydrophobicContact CB-CD2 4.47Å; V374-L396 HydrophobicContact CG1-CD2 3.73Å
375	L	93.6	Very high	91.7	Very high	87 Å²	87	68.8 Å²	68.8	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-39.3	176.7	-174.4	65.1	0	0	0	111.9	I371 L372 G379 L396	I371-L375 WeakPolarHBondContact O-CB 3.35Å; I371-L375 PolarHBondContact O-N 2.64Å; L372-L375 PolarHBondContact O-N 3.42Å; L375-G379 PolarHBondContact O-N 2.85Å; L375-L396 HydrophobicContact CD1-CD1 4.15Å
376	Y	94.1	Very high	91.3	Very high	160 Å²	160	72.7 Å²	72.7	63%	0.627	39%	0.39	S	S	*	.	H	α-helix	trans	-65.2	-52.6	175.5	177.8	-105.6	0	0	0	111.8	L372 G378 G379 L380	L372-Y376 VanDerWaalsContact O-CB 3.3Å; L372-Y376 WeakPolarHBondContact O-CB 3.27Å; L372-Y376 PolarHBondContact O-N 2.98Å; Y376-G378 VanDerWaalsContact C-N 3.34Å; Y376-G378 PolarHBondContact O-N 3.38Å; Y376-G379 PolarHBondContact O-N 3.24Å; Y376-L380 HydrophobicContact CD1-CD1 4.18Å; Y376-L380 HydrophobicContact CE1-CD1 3.68Å; Y376-L380 HydrophobicContact CE2-CD1 4.24Å; Y376-L380 WeakPolarHBondContact O-CG 3.46Å; Y376-L380 PolarHBondContact O-N 3.17Å; Y376-L380 VanDerWaalsContact O-N 3.07Å
377	K	93.6	Very high	91.3	Very high	55 Å²	55	71.7 Å²	71.7	24%	0.239	38%	0.382	C	S	.	.	H	α-helix	trans	-63.8	-39.8	178.1	-171.4	-178.7	172.3	-174	0	111.7	S274 L275 F278 S373 L380 L381	S274-K377 PolarHBondContact O-NZ 3.29Å; S274-K377 WeakPolarHBondContact OG-CE 3.32Å; S274-K377 PolarHBondContact OG-NZ 3.26Å; L275-K377 HydrophobicContact CD2-CB 3.92Å; L275-K377 HydrophobicContact CD2-CD 3.73Å; L275-K377 HydrophobicContact CD2-CG 3.65Å; F278-K377 HydrophobicContact CB-CD 4.1Å; F278-K377 HydrophobicContact CD1-CD 3.88Å; F278-K377 HydrophobicContact CD2-CD 4.03Å; F278-K377 HydrophobicContact CE1-CB 4.3Å; F278-K377 HydrophobicContact CE1-CD 4.24Å; F278-K377 HydrophobicContact CE2-CD 4.37Å; F278-K377 HydrophobicContact CG-CD 3.76Å; F278-K377 HydrophobicContact CZ-CD 4.47Å; S373-K377 WeakPolarHBondContact O-CB 3.4Å; S373-K377 PolarHBondContact O-N 3.26Å; K377-L380 PolarHBondContact O-N 3.41Å; K377-L381 WeakPolarHBondContact O-CG 3.42Å; K377-L381 PolarHBondContact O-N 3.15Å; K377-L381 VanDerWaalsContact O-N 3.14Å
378	G	93.5	Very high	91.4	Very high	0 Å²	0	73 Å²	73	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-64.7	-48.2	176.8	0	0	0	0	0	112.5	V374 Y376 L380 L381 T382	V374-G378 WeakPolarHBondContact O-CA 3.46Å; V374-G378 PolarHBondContact O-N 2.88Å; Y376-G378 VanDerWaalsContact C-N 3.34Å; Y376-G378 PolarHBondContact O-N 3.38Å; G378-L380 VanDerWaalsContact C-N 3.28Å; G378-L380 PolarHBondContact O-N 2.93Å; G378-L381 WeakPolarHBondContact O-CB 3.46Å; G378-L381 PolarHBondContact O-N 3.04Å; G378-T382 PolarHBondContact O-N 3.06Å; G378-T382 PolarHBondContact O-OG1 3.49Å
379	G	92.5	Very high	91.3	Very high	34 Å²	34	70 Å²	70	35%	0.351	37%	0.371	S	S	.	.	H	α-helix	trans	-59.7	-35.7	176.3	0	0	0	0	0	113.2	L375 Y376 T382 A383	L375-G379 PolarHBondContact O-N 2.85Å; Y376-G379 PolarHBondContact O-N 3.24Å; G379-T382 PolarHBondContact O-N 3.11Å; G379-A383 WeakPolarHBondContact O-CB 3.48Å; G379-A383 PolarHBondContact O-N 3.25Å
380	L	92.9	Very high	91.2	Very high	91 Å²	91	65.9 Å²	65.9	48%	0.476	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-40.9	171.3	-72.5	173.9	0	0	0	112.7	Y376 K377 G378 A383 S384	Y376-L380 HydrophobicContact CD1-CD1 4.18Å; Y376-L380 HydrophobicContact CE1-CD1 3.68Å; Y376-L380 HydrophobicContact CE2-CD1 4.24Å; Y376-L380 WeakPolarHBondContact O-CG 3.46Å; Y376-L380 PolarHBondContact O-N 3.17Å; Y376-L380 VanDerWaalsContact O-N 3.07Å; K377-L380 PolarHBondContact O-N 3.41Å; G378-L380 VanDerWaalsContact C-N 3.28Å; G378-L380 PolarHBondContact O-N 2.93Å; L380-A383 PolarHBondContact O-N 3.07Å; L380-S384 WeakPolarHBondContact O-CB 3.14Å; L380-S384 PolarHBondContact O-N 2.93Å; L380-S384 PolarHBondContact O-OG 2.81Å
381	L	92.2	Very high	91.2	Very high	31 Å²	31	67 Å²	67	16%	0.162	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-39.4	175	-69.5	173	0	0	0	111.9	L275 K377 G378 S384 Q385 Y386 M387	L275-L381 HydrophobicContact CD2-CD1 3.71Å; L275-L381 HydrophobicContact CG-CD1 3.87Å; K377-L381 WeakPolarHBondContact O-CG 3.42Å; K377-L381 PolarHBondContact O-N 3.15Å; K377-L381 VanDerWaalsContact O-N 3.14Å; G378-L381 WeakPolarHBondContact O-CB 3.46Å; G378-L381 PolarHBondContact O-N 3.04Å; L381-S384 WeakPolarHBondContact CA-OG 3.16Å; L381-S384 CarbonylContact O-C 3.55Å; L381-S384 PolarHBondContact O-N 3.16Å; L381-S384 PolarHBondContact O-OG 3.41Å; L381-Q385 PolarHBondContact O-N 3.15Å; L381-Y386 PolarHBondContact O-N 3.16Å; L381-M387 HydrophobicContact CB-CB 4.3Å; L381-M387 HydrophobicContact CD1-CE 4.2Å
382	T	91.9	Very high	91.3	Very high	25 Å²	25	63.3 Å²	63.3	15%	0.153	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-45	174.9	-58.3	0	0	0	0	112	G378 G379 S384 Q385 M387 V389	G378-T382 PolarHBondContact O-N 3.06Å; G378-T382 PolarHBondContact O-OG1 3.49Å; G379-T382 PolarHBondContact O-N 3.11Å; T382-S384 PolarHBondContact O-N 3.17Å; T382-Q385 PolarHBondContact O-N 2.84Å; T382-Q385 PolarHBondContact O-NE2 2.71Å; T382-M387 VanDerWaalsContact CA-O 3.32Å; T382-M387 WeakPolarHBondContact CA-O 3.43Å; T382-M387 PolarHBondContact OG1-O 3.33Å; T382-V389 HydrophobicContact CG2-CG2 4.07Å
383	A	89.3	Confident	91.3	Very high	79 Å²	79	59.9 Å²	59.9	65%	0.653	32%	0.32	S	S	*	.	H	α-helix	trans	-59.4	-34.4	174.2	0	0	0	0	0	112.7	G379 L380 Q385	G379-A383 WeakPolarHBondContact O-CB 3.48Å; G379-A383 PolarHBondContact O-N 3.25Å; L380-A383 PolarHBondContact O-N 3.07Å; A383-Q385 VanDerWaalsContact C-N 3.32Å
384	S	88.8	Confident	91.4	Very high	60 Å²	60	57.9 Å²	57.9	42%	0.42	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	13.8	176.5	52	0	0	0	0	114.6	L380 L381 T382 Y386	L380-S384 WeakPolarHBondContact O-CB 3.14Å; L380-S384 PolarHBondContact O-N 2.93Å; L380-S384 PolarHBondContact O-OG 2.81Å; L381-S384 WeakPolarHBondContact CA-OG 3.16Å; L381-S384 CarbonylContact O-C 3.55Å; L381-S384 PolarHBondContact O-N 3.16Å; L381-S384 PolarHBondContact O-OG 3.41Å; T382-S384 PolarHBondContact O-N 3.17Å; S384-Y386 WeakPolarHBondContact O-CD2 3.36Å; S384-Y386 PolarHBondContact O-N 2.78Å; S384-Y386 WeakPolarHBondContact OG-CD2 3.16Å
385	Q	84.4	Confident	91.6	Very high	169 Å²	169	57.7 Å²	57.7	79%	0.79	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	19.5	175.4	-54.4	-62.6	-61.9	0	0	115.6	L381 T382 A383	L381-Q385 PolarHBondContact O-N 3.15Å; T382-Q385 PolarHBondContact O-N 2.84Å; T382-Q385 PolarHBondContact O-NE2 2.71Å; A383-Q385 VanDerWaalsContact C-N 3.32Å
386	Y	85.5	Confident	91.6	Very high	187 Å²	187	56 Å²	56	73%	0.733	30%	0.296	S	S	*	.	S	Bend	trans	-88.7	-0.4	173.7	-71.7	-87.1	0	0	0	113.6	L381 S384	L381-Y386 PolarHBondContact O-N 3.16Å; S384-Y386 WeakPolarHBondContact O-CD2 3.36Å; S384-Y386 PolarHBondContact O-N 2.78Å; S384-Y386 WeakPolarHBondContact OG-CD2 3.16Å
387	M	90.8	Very high	91.6	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.049	28%	0.28	C	S	.	.	S	Bend	trans	-162.8	143.1	-176.8	-173.5	176.8	-65.9	0	0	111.4	S272 L275 L381 T382 E391 L392	S272-M387 VanDerWaalsContact OG-CE 3.23Å; S272-M387 WeakPolarHBondContact OG-CE 3.31Å; L275-M387 HydrophobicContact CD1-CE 3.67Å; L275-M387 HydrophobicContact CD1-SD 4Å; L275-M387 HydrophobicContact CG-CE 4.1Å; L381-M387 HydrophobicContact CB-CB 4.3Å; L381-M387 HydrophobicContact CD1-CE 4.2Å; T382-M387 VanDerWaalsContact CA-O 3.32Å; T382-M387 WeakPolarHBondContact CA-O 3.43Å; T382-M387 PolarHBondContact OG1-O 3.33Å; M387-E391 WeakPolarHBondContact CA-OE2 3.43Å; M387-E391 HydrophobicContact CG-CB 3.61Å; M387-E391 HydrophobicContact SD-CB 4.45Å; M387-L392 HydrophobicContact CG-CB 4.48Å; M387-L392 HydrophobicContact SD-CB 3.8Å; M387-L392 HydrophobicContact SD-CD1 4.16Å
388	T	91.5	Very high	91.7	Very high	52 Å²	52	48.7 Å²	48.7	32%	0.319	27%	0.269	S	S	.	.			trans	-81.3	171	173	76.8	0	0	0	0	113.3	D156 G390 E391 L392	D156-T388 WeakPolarHBondContact OD1-CB 3.32Å; D156-T388 PolarHBondContact OD1-OG1 2.98Å; D156-T388 VanDerWaalsContact OD1-OG1 3.05Å; D156-T388 WeakPolarHBondContact OD2-CB 3.38Å; D156-T388 PolarHBondContact OD2-OG1 3.12Å; T388-G390 PolarHBondContact OG1-N 3.45Å; T388-E391 HydrophobicContact CG2-CG 4.49Å; T388-E391 PolarHBondContact N-OE2 2.64Å; T388-E391 WeakPolarHBondContact OG1-CB 3.34Å; T388-E391 VanDerWaalsContact OG1-CG 3.26Å; T388-E391 WeakPolarHBondContact OG1-CG 3.44Å; T388-E391 PolarHBondContact OG1-N 3.33Å; T388-L392 PolarHBondContact O-N 2.9Å; T388-L392 VanDerWaalsContact O-N 3.15Å
389	V	90	Very high	91.7	Very high	51 Å²	51	49.8 Å²	49.8	31%	0.309	28%	0.275	S	S	.	.	H	α-helix	trans	-70.6	-36.4	174.7	-178.7	0	0	0	0	110.7	I155 D156 T382 S393	I155-V389 HydrophobicContact CG2-CB 4.46Å; I155-V389 HydrophobicContact CG2-CG1 4.07Å; D156-V389 PolarHBondContact OD1-N 3.29Å; T382-V389 HydrophobicContact CG2-CG2 4.07Å; V389-S393 WeakPolarHBondContact O-CB 3.3Å; V389-S393 PolarHBondContact O-N 3.35Å; V389-S393 PolarHBondContact O-OG 3.42Å
390	G	89.9	Confident	91.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.7	-35.7	174.9	0	0	0	0	0	113.7	G152 D156 T388 S393 S394	G152-G390 VanDerWaalsContact CA-O 3.23Å; G152-G390 WeakPolarHBondContact CA-O 3.41Å; G152-G390 VanDerWaalsContact O-CA 3.32Å; G152-G390 WeakPolarHBondContact O-CA 3.37Å; D156-G390 WeakPolarHBondContact OD1-CA 3.34Å; D156-G390 PolarHBondContact OD1-N 3.24Å; D156-G390 WeakPolarHBondContact OD2-CA 3.39Å; T388-G390 PolarHBondContact OG1-N 3.45Å; G390-S393 PolarHBondContact O-N 2.95Å; G390-S394 WeakPolarHBondContact O-CB 3.43Å; G390-S394 PolarHBondContact O-N 2.92Å; G390-S394 PolarHBondContact O-OG 3.29Å
391	E	92	Very high	91.6	Very high	67 Å²	67	53.6 Å²	53.6	31%	0.313	28%	0.277	S	S	.	.	H	α-helix	trans	-65	-47.5	172.1	-76.8	170.9	165.3	0	0	111.3	V271 M387 T388 S393 S394 F395	V271-E391 HydrophobicContact CG1-CB 3.99Å; V271-E391 HydrophobicContact CG1-CG 4.4Å; V271-E391 WeakPolarHBondContact CG1-O 3.22Å; M387-E391 WeakPolarHBondContact CA-OE2 3.43Å; M387-E391 HydrophobicContact CG-CB 3.61Å; M387-E391 HydrophobicContact SD-CB 4.45Å; T388-E391 HydrophobicContact CG2-CG 4.49Å; T388-E391 PolarHBondContact N-OE2 2.64Å; T388-E391 WeakPolarHBondContact OG1-CB 3.34Å; T388-E391 VanDerWaalsContact OG1-CG 3.26Å; T388-E391 WeakPolarHBondContact OG1-CG 3.44Å; T388-E391 PolarHBondContact OG1-N 3.33Å; E391-S393 VanDerWaalsContact C-N 3.29Å; E391-S393 PolarHBondContact O-N 3.12Å; E391-S394 WeakPolarHBondContact O-CB 3.44Å; E391-S394 PolarHBondContact O-N 3.37Å; E391-F395 WeakPolarHBondContact O-CB 3.34Å; E391-F395 PolarHBondContact O-N 2.98Å
392	L	93.6	Very high	91.7	Very high	17 Å²	17	52.9 Å²	52.9	9%	0.089	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-41.2	174.6	-179	55.1	0	0	0	111.8	L275 M387 T388 F395 L396	L275-L392 HydrophobicContact CD1-CD1 4.1Å; M387-L392 HydrophobicContact CG-CB 4.48Å; M387-L392 HydrophobicContact SD-CB 3.8Å; M387-L392 HydrophobicContact SD-CD1 4.16Å; T388-L392 PolarHBondContact O-N 2.9Å; T388-L392 VanDerWaalsContact O-N 3.15Å; L392-F395 PolarHBondContact O-N 3.5Å; L392-L396 HydrophobicContact CD1-CD1 4.43Å; L392-L396 HydrophobicContact CD1-CG 4.46Å; L392-L396 HydrophobicContact CG-CD1 4.37Å; L392-L396 WeakPolarHBondContact O-CG 3.34Å; L392-L396 PolarHBondContact O-N 3.02Å
393	S	93.8	Very high	91.6	Very high	33 Å²	33	53.6 Å²	53.6	23%	0.231	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-45	176	-59.3	0	0	0	0	112	V389 G390 E391 F395 L396 M397	V389-S393 WeakPolarHBondContact O-CB 3.3Å; V389-S393 PolarHBondContact O-N 3.35Å; V389-S393 PolarHBondContact O-OG 3.42Å; G390-S393 PolarHBondContact O-N 2.95Å; E391-S393 VanDerWaalsContact C-N 3.29Å; E391-S393 PolarHBondContact O-N 3.12Å; S393-F395 VanDerWaalsContact C-N 3.33Å; S393-F395 PolarHBondContact O-N 3.24Å; S393-L396 PolarHBondContact O-N 2.83Å; S393-M397 WeakPolarHBondContact O-CG 3.48Å; S393-M397 PolarHBondContact O-N 2.86Å
394	S	93.9	Very high	91.8	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.028	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-45.5	174.5	-57.4	0	0	0	0	111.1	P148 G152 G390 E391 M397 Y398	P148-S394 PolarHBondContact O-OG 2.84Å; G152-S394 WeakPolarHBondContact CA-OG 3.44Å; G390-S394 WeakPolarHBondContact O-CB 3.43Å; G390-S394 PolarHBondContact O-N 2.92Å; G390-S394 PolarHBondContact O-OG 3.29Å; E391-S394 WeakPolarHBondContact O-CB 3.44Å; E391-S394 PolarHBondContact O-N 3.37Å; S394-M397 PolarHBondContact O-N 3.17Å; S394-Y398 WeakPolarHBondContact O-CD2 3.4Å; S394-Y398 PolarHBondContact O-N 2.97Å
395	F	95.1	Very high	92	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-42.7	-178.7	-174.6	-87	0	0	0	112.2	M268 V271 L275 A276 I279 V374 E391 L392 S393 Y398 T399	M268-F395 HydrophobicContact CB-CD2 4.24Å; M268-F395 HydrophobicContact CB-CE2 3.74Å; M268-F395 HydrophobicContact CB-CZ 4.44Å; M268-F395 HydrophobicContact CE-CE1 4.33Å; M268-F395 HydrophobicContact CE-CE2 4.17Å; M268-F395 HydrophobicContact CE-CZ 3.73Å; M268-F395 HydrophobicContact CG-CD2 4.31Å; M268-F395 HydrophobicContact CG-CE2 4.04Å; M268-F395 HydrophobicContact CG-CZ 4.49Å; M268-F395 WeakPolarHBondContact O-CE2 3.36Å; V271-F395 HydrophobicContact CG1-CB 4.06Å; V271-F395 HydrophobicContact CG1-CD2 4.45Å; L275-F395 VanDerWaalsContact C-CZ 3.47Å; L275-F395 HydrophobicContact CB-CD1 4.11Å; L275-F395 HydrophobicContact CB-CD2 4.27Å; L275-F395 HydrophobicContact CB-CE1 3.5Å; L275-F395 VanDerWaalsContact CB-CE1 3.5Å; L275-F395 HydrophobicContact CB-CE2 3.67Å; L275-F395 HydrophobicContact CB-CG 4.48Å; L275-F395 HydrophobicContact CB-CZ 3.27Å; L275-F395 HydrophobicContact CD1-CD1 3.8Å; L275-F395 HydrophobicContact CD1-CE1 3.99Å; L275-F395 HydrophobicContact CD1-CG 4.14Å; L275-F395 HydrophobicContact CD1-CZ 4.48Å; L275-F395 HydrophobicContact CG-CE1 4.39Å; A276-F395 HydrophobicContact CB-CE2 4.22Å; I279-F395 HydrophobicContact CD1-CE1 3.56Å; I279-F395 HydrophobicContact CD1-CZ 3.76Å; V374-F395 HydrophobicContact CG1-CD1 4.1Å; V374-F395 HydrophobicContact CG1-CE1 3.83Å; E391-F395 WeakPolarHBondContact O-CB 3.34Å; E391-F395 PolarHBondContact O-N 2.98Å; L392-F395 PolarHBondContact O-N 3.5Å; S393-F395 VanDerWaalsContact C-N 3.33Å; S393-F395 PolarHBondContact O-N 3.24Å; F395-Y398 PolarHBondContact O-N 3.1Å; F395-T399 WeakPolarHBondContact O-CB 3.47Å; F395-T399 PolarHBondContact O-N 3.49Å; F395-T399 PolarHBondContact O-OG1 2.97Å
396	L	93.9	Very high	92.3	Very high	51 Å²	51	47.1 Å²	47.1	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-64	-42.2	174.6	-72.5	168.9	0	0	0	111.8	V374 L375 L392 S393 T399 F400	V374-L396 HydrophobicContact CB-CD2 4.47Å; V374-L396 HydrophobicContact CG1-CD2 3.73Å; L375-L396 HydrophobicContact CD1-CD1 4.15Å; L392-L396 HydrophobicContact CD1-CD1 4.43Å; L392-L396 HydrophobicContact CD1-CG 4.46Å; L392-L396 HydrophobicContact CG-CD1 4.37Å; L392-L396 WeakPolarHBondContact O-CG 3.34Å; L392-L396 PolarHBondContact O-N 3.02Å; S393-L396 PolarHBondContact O-N 2.83Å; L396-T399 WeakPolarHBondContact O-CB 3.49Å; L396-T399 PolarHBondContact O-N 2.83Å; L396-F400 PolarHBondContact O-N 3.3Å
397	M	94.8	Very high	92.4	Very high	60 Å²	60	41.2 Å²	41.2	30%	0.296	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-42.3	175.1	-74.3	179.6	76.7	0	0	112.7	P148 L151 S393 S394 F400 W401	P148-M397 HydrophobicContact CB-CB 3.73Å; P148-M397 HydrophobicContact CB-CE 4.21Å; P148-M397 HydrophobicContact CB-SD 4.23Å; P148-M397 HydrophobicContact CG-CB 4.13Å; P148-M397 HydrophobicContact CG-CE 4.22Å; L151-M397 HydrophobicContact CB-SD 4.41Å; L151-M397 HydrophobicContact CD2-CE 3.93Å; L151-M397 HydrophobicContact CD2-SD 3.64Å; S393-M397 WeakPolarHBondContact O-CG 3.48Å; S393-M397 PolarHBondContact O-N 2.86Å; S394-M397 PolarHBondContact O-N 3.17Å; M397-F400 PolarHBondContact O-N 3.48Å; M397-W401 VanDerWaalsContact O-CD1 3.26Å; M397-W401 PolarHBondContact O-N 3.49Å
398	Y	94.9	Very high	92.4	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-40.3	174.1	-76.4	-59.7	0	0	0	111.8	M145 P148 F149 M267 S394 F395 F400 W401 V402	M145-Y398 WeakPolarHBondContact O-CE1 3.21Å; M145-Y398 PolarHBondContact O-OH 2.98Å; P148-Y398 HydrophobicContact CB-CD1 4.24Å; P148-Y398 HydrophobicContact CB-CD2 4.07Å; P148-Y398 HydrophobicContact CB-CE1 3.93Å; P148-Y398 HydrophobicContact CB-CE2 3.73Å; P148-Y398 HydrophobicContact CB-CG 4.28Å; P148-Y398 HydrophobicContact CG-CD1 4.06Å; P148-Y398 HydrophobicContact CG-CE1 3.74Å; P148-Y398 HydrophobicContact CG-CE2 4.46Å; F149-Y398 HydrophobicContact CB-CE2 4.4Å; F149-Y398 WeakPolarHBondContact CB-OH 3.29Å; F149-Y398 PolarHBondContact N-OH 3.29Å; M267-Y398 HydrophobicContact CB-CD1 3.9Å; M267-Y398 HydrophobicContact CB-CD2 3.81Å; M267-Y398 HydrophobicContact CB-CE1 3.73Å; M267-Y398 HydrophobicContact CB-CE2 3.64Å; M267-Y398 HydrophobicContact CB-CG 3.97Å; M267-Y398 HydrophobicContact CE-CE2 4.01Å; M267-Y398 HydrophobicContact CG-CE1 3.9Å; M267-Y398 HydrophobicContact CG-CE2 4.21Å; S394-Y398 WeakPolarHBondContact O-CD2 3.4Å; S394-Y398 PolarHBondContact O-N 2.97Å; F395-Y398 PolarHBondContact O-N 3.1Å; Y398-F400 VanDerWaalsContact C-N 3.29Å; Y398-F400 PolarHBondContact O-N 2.94Å; Y398-W401 PolarHBondContact O-N 3.16Å; Y398-V402 WeakPolarHBondContact O-CG2 3.46Å; Y398-V402 PolarHBondContact O-N 3.36Å
399	T	93	Very high	92.4	Very high	22 Å²	22	43 Å²	43	14%	0.135	24%	0.244	C	C	.	.	H	α-helix	trans	-56.6	-43.7	173.5	-57.9	0	0	0	0	111.4	M268 I279 F395 L396 V402 G403	M268-T399 HydrophobicContact CE-CG2 4.45Å; M268-T399 WeakPolarHBondContact CE-OG1 3.41Å; I279-T399 HydrophobicContact CD1-CG2 3.74Å; F395-T399 WeakPolarHBondContact O-CB 3.47Å; F395-T399 PolarHBondContact O-N 3.49Å; F395-T399 PolarHBondContact O-OG1 2.97Å; L396-T399 WeakPolarHBondContact O-CB 3.49Å; L396-T399 PolarHBondContact O-N 2.83Å; T399-V402 PolarHBondContact O-N 3Å; T399-G403 PolarHBondContact O-N 3.41Å
400	F	92.1	Very high	92.2	Very high	138 Å²	138	44.7 Å²	44.7	61%	0.605	26%	0.258	S	S	*	.	H	α-helix	trans	-65	-45.2	176.4	-179.1	-106.5	0	0	0	112.6	L396 M397 Y398 V402 G403 I404	L396-F400 PolarHBondContact O-N 3.3Å; M397-F400 PolarHBondContact O-N 3.48Å; Y398-F400 VanDerWaalsContact C-N 3.29Å; Y398-F400 PolarHBondContact O-N 2.94Å; F400-V402 PolarHBondContact O-N 3.39Å; F400-G403 PolarHBondContact O-N 3Å; F400-I404 HydrophobicContact CD1-CD1 3.93Å; F400-I404 HydrophobicContact CE1-CD1 3.43Å; F400-I404 VanDerWaalsContact CE1-CD1 3.43Å; F400-I404 HydrophobicContact CE1-CG1 4.45Å; F400-I404 HydrophobicContact CE2-CD1 4.45Å; F400-I404 HydrophobicContact CZ-CD1 3.73Å; F400-I404 HydrophobicContact CZ-CG1 4.48Å; F400-I404 PolarHBondContact O-N 3.33Å
401	W	92.7	Very high	92.2	Very high	68 Å²	68	48 Å²	48	26%	0.258	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-39.1	175.8	-84.1	111.9	0	0	0	113.1	T144 M145 M397 Y398 I404 S405	T144-W401 HydrophobicContact CG2-CH2 3.53Å; T144-W401 HydrophobicContact CG2-CZ2 3.6Å; T144-W401 HydrophobicContact CG2-CZ3 4.04Å; M145-W401 HydrophobicContact CE-CB 4Å; M145-W401 HydrophobicContact CE-CD2 3.61Å; M145-W401 HydrophobicContact CE-CE3 3.83Å; M145-W401 HydrophobicContact CE-CG 3.69Å; M397-W401 VanDerWaalsContact O-CD1 3.26Å; M397-W401 PolarHBondContact O-N 3.49Å; Y398-W401 PolarHBondContact O-N 3.16Å; W401-I404 PolarHBondContact O-N 2.93Å; W401-S405 WeakPolarHBondContact O-CB 3.28Å; W401-S405 PolarHBondContact O-N 2.86Å; W401-S405 PolarHBondContact O-OG 3.37Å
402	V	93.4	Very high	92.1	Very high	16 Å²	16	46.5 Å²	46.5	10%	0.097	27%	0.273	C	S	.	.	H	α-helix	trans	-64.5	-40.6	173.1	171.5	0	0	0	0	110.7	V265 M268 Y398 T399 F400 S405 I406	V265-V402 HydrophobicContact CG2-CG1 3.83Å; V265-V402 HydrophobicContact CG2-CG2 3.87Å; M268-V402 HydrophobicContact SD-CB 4.35Å; M268-V402 HydrophobicContact SD-CG2 3.87Å; Y398-V402 WeakPolarHBondContact O-CG2 3.46Å; Y398-V402 PolarHBondContact O-N 3.36Å; T399-V402 PolarHBondContact O-N 3Å; F400-V402 PolarHBondContact O-N 3.39Å; V402-S405 WeakPolarHBondContact O-CB 3.27Å; V402-S405 PolarHBondContact O-N 3.12Å; V402-I406 HydrophobicContact CG1-CD1 3.87Å; V402-I406 HydrophobicContact CG1-CG1 4.45Å; V402-I406 WeakPolarHBondContact O-CG1 3.34Å; V402-I406 PolarHBondContact O-N 3.1Å
403	G	91.1	Very high	91.8	Very high	40 Å²	40	52.6 Å²	52.6	41%	0.412	30%	0.296	S	S	.	.	H	α-helix	trans	-58.8	-47.3	173.5	0	0	0	0	0	113.3	T399 F400 S405 I406 A407	T399-G403 PolarHBondContact O-N 3.41Å; F400-G403 PolarHBondContact O-N 3Å; G403-S405 VanDerWaalsContact C-N 3.31Å; G403-S405 PolarHBondContact O-N 3.4Å; G403-I406 PolarHBondContact O-N 3.37Å; G403-A407 PolarHBondContact O-N 3.35Å; G403-A407 VanDerWaalsContact O-N 3.14Å
404	I	92	Very high	91.4	Very high	74 Å²	74	53.6 Å²	53.6	38%	0.379	30%	0.303	S	S	.	.	H	α-helix	trans	-59.6	-43.2	172.7	-71.3	174.5	0	0	0	110.8	F400 W401 I406 A407 G408	F400-I404 HydrophobicContact CD1-CD1 3.93Å; F400-I404 HydrophobicContact CE1-CD1 3.43Å; F400-I404 VanDerWaalsContact CE1-CD1 3.43Å; F400-I404 HydrophobicContact CE1-CG1 4.45Å; F400-I404 HydrophobicContact CE2-CD1 4.45Å; F400-I404 HydrophobicContact CZ-CD1 3.73Å; F400-I404 HydrophobicContact CZ-CG1 4.48Å; F400-I404 PolarHBondContact O-N 3.33Å; W401-I404 PolarHBondContact O-N 2.93Å; I404-I406 PolarHBondContact O-N 3.36Å; I404-A407 PolarHBondContact O-N 3.42Å; I404-G408 PolarHBondContact O-N 3.04Å
405	S	93.4	Very high	91.1	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.014	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-41	-178.6	-57.2	0	0	0	0	112.2	A257 Q260 A261 W401 V402 G403 G408 L409	A257-S405 WeakPolarHBondContact CB-O 3.34Å; A257-S405 WeakPolarHBondContact O-CB 3.43Å; Q260-S405 WeakPolarHBondContact CB-OG 3.29Å; A261-S405 PolarHBondContact N-OG 3.41Å; W401-S405 WeakPolarHBondContact O-CB 3.28Å; W401-S405 PolarHBondContact O-N 2.86Å; W401-S405 PolarHBondContact O-OG 3.37Å; V402-S405 WeakPolarHBondContact O-CB 3.27Å; V402-S405 PolarHBondContact O-N 3.12Å; G403-S405 VanDerWaalsContact C-N 3.31Å; G403-S405 PolarHBondContact O-N 3.4Å; S405-G408 PolarHBondContact O-N 3.03Å; S405-L409 WeakPolarHBondContact O-CB 3.43Å; S405-L409 PolarHBondContact O-N 3.44Å
406	I	90.2	Very high	90.8	Very high	96 Å²	96	57.7 Å²	57.7	49%	0.492	32%	0.323	S	S	.	.	H	α-helix	trans	-64.7	-40.6	175.2	-67.9	164.8	0	0	0	110.9	V402 G403 I404 L409 S410	V402-I406 HydrophobicContact CG1-CD1 3.87Å; V402-I406 HydrophobicContact CG1-CG1 4.45Å; V402-I406 WeakPolarHBondContact O-CG1 3.34Å; V402-I406 PolarHBondContact O-N 3.1Å; G403-I406 PolarHBondContact O-N 3.37Å; I404-I406 PolarHBondContact O-N 3.36Å; I406-L409 PolarHBondContact O-N 2.87Å; I406-S410 PolarHBondContact O-N 3.3Å
407	A	88.6	Confident	90.4	Very high	63 Å²	63	58.7 Å²	58.7	52%	0.521	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-42.9	174.7	0	0	0	0	0	112	G403 I404 L409 S410 S411	G403-A407 PolarHBondContact O-N 3.35Å; G403-A407 VanDerWaalsContact O-N 3.14Å; I404-A407 PolarHBondContact O-N 3.42Å; A407-L409 PolarHBondContact O-N 2.99Å; A407-S410 WeakPolarHBondContact O-CB 3.33Å; A407-S410 PolarHBondContact O-N 3.16Å; A407-S411 PolarHBondContact O-N 3.43Å
408	G	90.6	Very high	90	Very high	29 Å²	29	60.8 Å²	60.8	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-59.9	-43.2	174	0	0	0	0	0	112.6	I404 S405 S410 S411 F412	I404-G408 PolarHBondContact O-N 3.04Å; S405-G408 PolarHBondContact O-N 3.03Å; G408-S410 VanDerWaalsContact C-N 3.33Å; G408-S410 PolarHBondContact O-N 3.17Å; G408-S411 WeakPolarHBondContact O-CB 3.31Å; G408-S411 PolarHBondContact O-N 3.23Å; G408-F412 WeakPolarHBondContact O-CB 3.31Å; G408-F412 PolarHBondContact O-N 2.97Å
409	L	90.3	Very high	89.8	Confident	71 Å²	71	60.8 Å²	60.8	37%	0.372	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-36	177	-167.3	69	0	0	0	112.5	A257 V258 S405 I406 A407 F412 Y413	A257-L409 HydrophobicContact CB-CB 4.23Å; V258-L409 HydrophobicContact CG2-CD1 3.66Å; S405-L409 WeakPolarHBondContact O-CB 3.43Å; S405-L409 PolarHBondContact O-N 3.44Å; I406-L409 PolarHBondContact O-N 2.87Å; A407-L409 PolarHBondContact O-N 2.99Å; L409-F412 HydrophobicContact CD1-CD1 4Å; L409-F412 PolarHBondContact O-N 3.48Å; L409-Y413 PolarHBondContact O-N 3.18Å
410	S	87.3	Confident	89.5	Confident	85 Å²	85	60.9 Å²	60.9	59%	0.594	33%	0.334	S	S	*	.	H	α-helix	trans	-66.3	-38.8	172.9	-171.9	0	0	0	0	112.3	I406 A407 G408 S414	I406-S410 PolarHBondContact O-N 3.3Å; A407-S410 WeakPolarHBondContact O-CB 3.33Å; A407-S410 PolarHBondContact O-N 3.16Å; G408-S410 VanDerWaalsContact C-N 3.33Å; G408-S410 PolarHBondContact O-N 3.17Å; S410-S414 PolarHBondContact O-N 2.8Å; S410-S414 VanDerWaalsContact O-N 3.12Å
411	S	88.6	Confident	89.3	Confident	69 Å²	69	55.9 Å²	55.9	48%	0.483	32%	0.321	S	S	.	.	H	α-helix	trans	-65.5	-46.3	172.9	-162.3	0	0	0	0	111.3	A407 G408 Y413 S414 E415	A407-S411 PolarHBondContact O-N 3.43Å; G408-S411 WeakPolarHBondContact O-CB 3.31Å; G408-S411 PolarHBondContact O-N 3.23Å; S411-Y413 VanDerWaalsContact C-N 3.33Å; S411-Y413 PolarHBondContact O-N 3.45Å; S411-S414 WeakPolarHBondContact O-CB 3.31Å; S411-S414 PolarHBondContact O-N 3.39Å; S411-S414 VanDerWaalsContact O-N 3.1Å; S411-E415 PolarHBondContact O-N 3.48Å
412	F	90.2	Very high	89.2	Confident	36 Å²	36	52.7 Å²	52.7	16%	0.158	31%	0.309	C	S	.	.	H	α-helix	trans	-54.1	-48.2	176.4	163.7	-113	0	0	0	112.2	N250 L251 G254 G408 L409 S414 E415 L416	N250-F412 WeakPolarHBondContact ND2-CD2 3.33Å; N250-F412 PolarHBondContact ND2-O 2.91Å; N250-F412 WeakPolarHBondContact O-CD2 3.33Å; N250-F412 WeakPolarHBondContact OD1-CA 3.47Å; L251-F412 HydrophobicContact CD1-CE2 4.24Å; L251-F412 HydrophobicContact CD1-CZ 4.28Å; G254-F412 VanDerWaalsContact CA-CG 3.46Å; G408-F412 WeakPolarHBondContact O-CB 3.31Å; G408-F412 PolarHBondContact O-N 2.97Å; L409-F412 HydrophobicContact CD1-CD1 4Å; L409-F412 PolarHBondContact O-N 3.48Å; F412-S414 PolarHBondContact O-N 2.94Å; F412-E415 PolarHBondContact O-N 2.9Å; F412-L416 HydrophobicContact CE1-CD2 4.23Å; F412-L416 HydrophobicContact CE2-CB 4.4Å; F412-L416 HydrophobicContact CE2-CD2 4.29Å; F412-L416 HydrophobicContact CZ-CD2 3.81Å; F412-L416 WeakPolarHBondContact O-CB 3.14Å; F412-L416 PolarHBondContact O-N 2.67Å
413	Y	88	Confident	89.1	Confident	146 Å²	146	52 Å²	52	57%	0.573	31%	0.305	S	S	*	.	H	α-helix	trans	-62.9	-39.6	177.5	-175.8	-86.1	0	0	0	112.4	L409 S411 M417	L409-Y413 PolarHBondContact O-N 3.18Å; S411-Y413 VanDerWaalsContact C-N 3.33Å; S411-Y413 PolarHBondContact O-N 3.45Å; Y413-M417 HydrophobicContact CD1-CG 4.19Å; Y413-M417 HydrophobicContact CE1-CE 4.49Å; Y413-M417 HydrophobicContact CE1-CG 3.83Å; Y413-M417 HydrophobicContact CE2-CE 3.78Å; Y413-M417 WeakPolarHBondContact O-CB 3.29Å; Y413-M417 VanDerWaalsContact O-CG 3.23Å; Y413-M417 WeakPolarHBondContact O-CG 3.4Å; Y413-M417 PolarHBondContact O-N 2.75Å; Y413-M417 VanDerWaalsContact O-N 3.1Å
414	S	85.8	Confident	89	Confident	54 Å²	54	53.1 Å²	53.1	38%	0.378	30%	0.304	S	S	.	.	H	α-helix	trans	-59.5	-53	175.4	169.2	0	0	0	0	111.7	S410 S411 F412 M417 K418	S410-S414 PolarHBondContact O-N 2.8Å; S410-S414 VanDerWaalsContact O-N 3.12Å; S411-S414 WeakPolarHBondContact O-CB 3.31Å; S411-S414 PolarHBondContact O-N 3.39Å; S411-S414 VanDerWaalsContact O-N 3.1Å; F412-S414 PolarHBondContact O-N 2.94Å; S414-M417 PolarHBondContact O-N 3.09Å; S414-K418 PolarHBondContact O-N 3.19Å
415	E	87.2	Confident	88.9	Confident	50 Å²	50	53.9 Å²	53.9	23%	0.234	30%	0.302	C	S	.	.	H	α-helix	trans	-71.9	-35.3	-176.9	-56.7	-44.2	107	0	0	111.9	S246 S411 F412 M417 K418 G419	S246-E415 PolarHBondContact OG-O 3.48Å; S411-E415 PolarHBondContact O-N 3.48Å; F412-E415 PolarHBondContact O-N 2.9Å; E415-M417 VanDerWaalsContact C-N 3.3Å; E415-M417 PolarHBondContact O-N 3.46Å; E415-K418 WeakPolarHBondContact O-CB 3.18Å; E415-K418 PolarHBondContact O-N 2.87Å; E415-K418 VanDerWaalsContact O-N 3.16Å; E415-K418 WeakPolarHBondContact OE1-CE 3.34Å; E415-K418 IonicContact OE1-NZ 3Å; E415-K418 PolarHBondContact OE1-NZ 3.48Å; E415-K418 WeakPolarHBondContact OE2-CD 3.43Å; E415-K418 WeakPolarHBondContact OE2-CE 3.26Å; E415-K418 IonicContact OE2-NZ 3.61Å; E415-K418 PolarHBondContact OE2-NZ 3.35Å; E415-G419 PolarHBondContact O-N 3.18Å
416	L	88.6	Confident	88.9	Confident	40 Å²	40	53.8 Å²	53.8	21%	0.209	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-39.6	173.9	-177.8	66.9	0	0	0	111.8	N250 F412 G419 F420	N250-L416 PolarHBondContact ND2-N 2.85Å; F412-L416 HydrophobicContact CE1-CD2 4.23Å; F412-L416 HydrophobicContact CE2-CB 4.4Å; F412-L416 HydrophobicContact CE2-CD2 4.29Å; F412-L416 HydrophobicContact CZ-CD2 3.81Å; F412-L416 WeakPolarHBondContact O-CB 3.14Å; F412-L416 PolarHBondContact O-N 2.67Å; L416-G419 WeakPolarHBondContact O-CA 3.34Å; L416-G419 PolarHBondContact O-N 2.86Å; L416-G419 VanDerWaalsContact O-N 3.17Å; L416-F420 HydrophobicContact CD1-CE2 3.83Å; L416-F420 HydrophobicContact CD1-CZ 3.85Å; L416-F420 HydrophobicContact CD2-CE2 3.91Å; L416-F420 HydrophobicContact CD2-CZ 4.38Å; L416-F420 HydrophobicContact CG-CD2 4.13Å; L416-F420 HydrophobicContact CG-CE2 3.51Å; L416-F420 HydrophobicContact CG-CZ 4.04Å; L416-F420 VanDerWaalsContact O-CD2 3.29Å; L416-F420 WeakPolarHBondContact O-CD2 3.35Å; L416-F420 PolarHBondContact O-N 3.46Å
417	M	85.8	Confident	88.9	Confident	71 Å²	71	50 Å²	50	35%	0.35	28%	0.281	S	S	.	.	H	α-helix	trans	-70.9	-31.6	176.6	-71	-70.5	152.8	0	0	112.9	V111 Y413 S414 E415 F420 G421	V111-M417 HydrophobicContact CG2-CE 3.67Å; V111-M417 HydrophobicContact CG2-SD 4.47Å; Y413-M417 HydrophobicContact CD1-CG 4.19Å; Y413-M417 HydrophobicContact CE1-CE 4.49Å; Y413-M417 HydrophobicContact CE1-CG 3.83Å; Y413-M417 HydrophobicContact CE2-CE 3.78Å; Y413-M417 WeakPolarHBondContact O-CB 3.29Å; Y413-M417 VanDerWaalsContact O-CG 3.23Å; Y413-M417 WeakPolarHBondContact O-CG 3.4Å; Y413-M417 PolarHBondContact O-N 2.75Å; Y413-M417 VanDerWaalsContact O-N 3.1Å; S414-M417 PolarHBondContact O-N 3.09Å; E415-M417 VanDerWaalsContact C-N 3.3Å; E415-M417 PolarHBondContact O-N 3.46Å; M417-F420 HydrophobicContact CE-CD2 4.29Å; M417-F420 HydrophobicContact CE-CE2 4.37Å; M417-F420 HydrophobicContact SD-CD2 4.27Å; M417-G421 PolarHBondContact O-N 3.15Å; M417-G421 VanDerWaalsContact O-N 3.11Å
418	K	86.6	Confident	89.1	Confident	105 Å²	105	52.3 Å²	52.3	46%	0.457	28%	0.281	S	S	.	.	H	α-helix	trans	-65.6	-41.1	166	-62.7	177.9	-164	164.8	0	111	V242 S414 E415 G421 A422	V242-K418 HydrophobicContact CG1-CB 4.08Å; S414-K418 PolarHBondContact O-N 3.19Å; E415-K418 WeakPolarHBondContact O-CB 3.18Å; E415-K418 PolarHBondContact O-N 2.87Å; E415-K418 VanDerWaalsContact O-N 3.16Å; E415-K418 WeakPolarHBondContact OE1-CE 3.34Å; E415-K418 IonicContact OE1-NZ 3Å; E415-K418 PolarHBondContact OE1-NZ 3.48Å; E415-K418 WeakPolarHBondContact OE2-CD 3.43Å; E415-K418 WeakPolarHBondContact OE2-CE 3.26Å; E415-K418 IonicContact OE2-NZ 3.61Å; E415-K418 PolarHBondContact OE2-NZ 3.35Å; K418-G421 PolarHBondContact O-N 3.26Å; K418-A422 WeakPolarHBondContact O-CB 3.34Å; K418-A422 PolarHBondContact O-N 3.34Å
419	G	89.7	Confident	89.2	Confident	2 Å²	2	51.2 Å²	51.2	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-54	-50.4	175.2	0	0	0	0	0	112.8	S246 E415 L416 G423	S246-G419 WeakPolarHBondContact OG-CA 3.24Å; E415-G419 PolarHBondContact O-N 3.18Å; L416-G419 WeakPolarHBondContact O-CA 3.34Å; L416-G419 PolarHBondContact O-N 2.86Å; L416-G419 VanDerWaalsContact O-N 3.17Å; G419-G423 PolarHBondContact O-N 2.78Å
420	F	88	Confident	89.3	Confident	24 Å²	24	50.1 Å²	50.1	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-47.6	174	-65	-52.6	0	0	0	112	V111 V116 I119 L416 M417 A422 G423 T424	V111-F420 HydrophobicContact CB-CD2 4.44Å; V111-F420 HydrophobicContact CB-CE2 4.22Å; V111-F420 HydrophobicContact CB-CZ 4.48Å; V111-F420 HydrophobicContact CG1-CD1 3.86Å; V111-F420 HydrophobicContact CG1-CD2 3.88Å; V111-F420 HydrophobicContact CG1-CE1 3.55Å; V111-F420 HydrophobicContact CG1-CE2 3.55Å; V111-F420 HydrophobicContact CG1-CG 4.04Å; V111-F420 HydrophobicContact CG1-CZ 3.39Å; V111-F420 HydrophobicContact CG2-CD2 3.73Å; V111-F420 HydrophobicContact CG2-CE2 3.54Å; V111-F420 HydrophobicContact CG2-CZ 4.24Å; V116-F420 HydrophobicContact CG2-CE1 3.99Å; V116-F420 HydrophobicContact CG2-CZ 4.1Å; I119-F420 HydrophobicContact CD1-CD1 3.7Å; I119-F420 HydrophobicContact CD1-CE1 3.61Å; L416-F420 HydrophobicContact CD1-CE2 3.83Å; L416-F420 HydrophobicContact CD1-CZ 3.85Å; L416-F420 HydrophobicContact CD2-CE2 3.91Å; L416-F420 HydrophobicContact CD2-CZ 4.38Å; L416-F420 HydrophobicContact CG-CD2 4.13Å; L416-F420 HydrophobicContact CG-CE2 3.51Å; L416-F420 HydrophobicContact CG-CZ 4.04Å; L416-F420 VanDerWaalsContact O-CD2 3.29Å; L416-F420 WeakPolarHBondContact O-CD2 3.35Å; L416-F420 PolarHBondContact O-N 3.46Å; M417-F420 HydrophobicContact CE-CD2 4.29Å; M417-F420 HydrophobicContact CE-CE2 4.37Å; M417-F420 HydrophobicContact SD-CD2 4.27Å; F420-A422 VanDerWaalsContact C-N 3.27Å; F420-A422 PolarHBondContact O-N 2.87Å; F420-G423 WeakPolarHBondContact O-CA 3.48Å; F420-G423 PolarHBondContact O-N 3.37Å; F420-T424 PolarHBondContact O-N 2.87Å; F420-T424 PolarHBondContact O-OG1 2.88Å; F420-T424 VanDerWaalsContact O-OG1 3.08Å
421	G	87.3	Confident	89.5	Confident	33 Å²	33	50.1 Å²	50.1	34%	0.34	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-27.9	180	0	0	0	0	0	114.9	M417 K418 R425	M417-G421 PolarHBondContact O-N 3.15Å; M417-G421 VanDerWaalsContact O-N 3.11Å; K418-G421 PolarHBondContact O-N 3.26Å; G421-R425 PolarHBondContact O-NH1 3.48Å
422	A	90.2	Very high	89.7	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-77.4	-43.2	168.5	0	0	0	0	0	111.3	D239 V242 V243 K418 F420 T424 R425 L426	D239-A422 HydrophobicContact CB-CB 3.83Å; V242-A422 HydrophobicContact CB-CB 4.16Å; V242-A422 HydrophobicContact CG1-CB 3.94Å; V243-A422 HydrophobicContact CG2-CB 3.86Å; K418-A422 WeakPolarHBondContact O-CB 3.34Å; K418-A422 PolarHBondContact O-N 3.34Å; F420-A422 VanDerWaalsContact C-N 3.27Å; F420-A422 PolarHBondContact O-N 2.87Å; A422-T424 PolarHBondContact O-N 2.98Å; A422-R425 PolarHBondContact O-N 3.47Å; A422-L426 PolarHBondContact O-N 2.93Å
423	G	91.6	Very high	89.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-54.8	-50.6	177.5	0	0	0	0	0	112.9	G419 F420 R425 L426 W427	G419-G423 PolarHBondContact O-N 2.78Å; F420-G423 WeakPolarHBondContact O-CA 3.48Å; F420-G423 PolarHBondContact O-N 3.37Å; G423-R425 VanDerWaalsContact C-N 3.26Å; G423-R425 PolarHBondContact O-N 3.35Å; G423-L426 CarbonylContact O-C 3.6Å; G423-L426 WeakPolarHBondContact O-CA 3.44Å; G423-L426 WeakPolarHBondContact O-CB 3.3Å; G423-L426 PolarHBondContact O-N 3.4Å; G423-W427 VanDerWaalsContact O-CD1 3.23Å; G423-W427 VanDerWaalsContact O-CG 3.26Å; G423-W427 PolarHBondContact O-N 3.35Å; G423-W427 PolarHBondContact O-NE1 3.44Å
424	T	89.9	Confident	90	Very high	65 Å²	65	52.7 Å²	52.7	40%	0.399	26%	0.263	S	S	.	.	H	α-helix	trans	-58.4	-36.2	178.9	-44.8	0	0	0	0	112.3	D115 F420 A422 L426 W427 E428	D115-T424 PolarHBondContact OD2-OG1 3.34Å; F420-T424 PolarHBondContact O-N 2.87Å; F420-T424 PolarHBondContact O-OG1 2.88Å; F420-T424 VanDerWaalsContact O-OG1 3.08Å; A422-T424 PolarHBondContact O-N 2.98Å; T424-L426 VanDerWaalsContact C-N 3.31Å; T424-L426 PolarHBondContact O-N 2.94Å; T424-W427 PolarHBondContact O-N 3.26Å; T424-E428 WeakPolarHBondContact O-CB 3.48Å; T424-E428 PolarHBondContact O-N 3.32Å
425	R	89.5	Confident	90	Very high	89 Å²	89	57 Å²	57	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-70.3	-21.2	173.3	-72.9	-166.4	-62.6	-87.6	2.4	114.1	R235 D239 G421 A422 G423	R235-R425 PolarHBondContact NH1-O 3.17Å; D239-R425 VanDerWaalsContact CG-NH2 3.27Å; D239-R425 IonicContact OD1-CZ 3.4Å; D239-R425 IonicContact OD1-NE 2.67Å; D239-R425 IonicContact OD1-NH2 3.81Å; D239-R425 PolarHBondContact OD1-NH2 3.38Å; D239-R425 IonicContact OD2-CZ 3.94Å; D239-R425 IonicContact OD2-NE 3.45Å; D239-R425 PolarHBondContact OD2-NE 3.01Å; D239-R425 IonicContact OD2-NH2 3.63Å; D239-R425 PolarHBondContact OD2-NH2 3.06Å; D239-R425 VanDerWaalsContact OD2-NH2 3.16Å; G421-R425 PolarHBondContact O-NH1 3.48Å; A422-R425 PolarHBondContact O-N 3.47Å; G423-R425 VanDerWaalsContact C-N 3.26Å; G423-R425 PolarHBondContact O-N 3.35Å
426	L	92.8	Very high	89.8	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-86.4	-37.5	171.8	-60.3	-174.3	0	0	0	111.4	V212 R235 D239 T240 V243 A422 G423 T424 E428 L429 L430	V212-L426 HydrophobicContact CG1-CD2 4.42Å; V212-L426 HydrophobicContact CG2-CD2 4.12Å; R235-L426 HydrophobicContact CB-CD2 4.22Å; D239-L426 HydrophobicContact CB-CD1 4.46Å; D239-L426 HydrophobicContact CB-CD2 4.04Å; D239-L426 HydrophobicContact CB-CG 4.23Å; T240-L426 HydrophobicContact CG2-CD1 3.9Å; T240-L426 HydrophobicContact CG2-CD2 4.33Å; V243-L426 HydrophobicContact CB-CD1 4.5Å; V243-L426 HydrophobicContact CG2-CD1 4.05Å; A422-L426 PolarHBondContact O-N 2.93Å; G423-L426 CarbonylContact O-C 3.6Å; G423-L426 WeakPolarHBondContact O-CA 3.44Å; G423-L426 WeakPolarHBondContact O-CB 3.3Å; G423-L426 PolarHBondContact O-N 3.4Å; T424-L426 VanDerWaalsContact C-N 3.31Å; T424-L426 PolarHBondContact O-N 2.94Å; L426-E428 VanDerWaalsContact C-N 3.34Å; L426-L429 PolarHBondContact O-N 2.84Å; L426-L429 VanDerWaalsContact O-N 3.14Å; L426-L430 HydrophobicContact CB-CD1 4.44Å; L426-L430 WeakPolarHBondContact O-CB 3.39Å; L426-L430 VanDerWaalsContact O-CG 3.3Å; L426-L430 WeakPolarHBondContact O-CG 3.39Å; L426-L430 PolarHBondContact O-N 3.36Å
427	W	91.4	Very high	89.4	Confident	16 Å²	16	55.4 Å²	55.4	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-64.5	-38.8	174.6	-50.9	142.5	0	0	0	111.5	D115 R118 I119 L122 L208 G423 T424 L429 L430 D431	D115-W427 VanDerWaalsContact OD1-CD1 3.26Å; R118-W427 HydrophobicContact CB-CZ2 4.34Å; I119-W427 HydrophobicContact CG1-CZ2 4.42Å; L122-W427 HydrophobicContact CD1-CH2 3.49Å; L122-W427 VanDerWaalsContact CD1-CH2 3.49Å; L122-W427 HydrophobicContact CD1-CZ2 3.9Å; L122-W427 HydrophobicContact CD2-CH2 4.24Å; L122-W427 HydrophobicContact CG-CH2 4.27Å; L208-W427 HydrophobicContact CD2-CH2 4.05Å; L208-W427 HydrophobicContact CD2-CZ3 4.38Å; G423-W427 VanDerWaalsContact O-CD1 3.23Å; G423-W427 VanDerWaalsContact O-CG 3.26Å; G423-W427 PolarHBondContact O-N 3.35Å; G423-W427 PolarHBondContact O-NE1 3.44Å; T424-W427 PolarHBondContact O-N 3.26Å; W427-L429 PolarHBondContact O-N 3.49Å; W427-L430 HydrophobicContact CE3-CD1 3.61Å; W427-L430 HydrophobicContact CZ3-CD1 3.42Å; W427-L430 VanDerWaalsContact CZ3-CD1 3.42Å; W427-L430 PolarHBondContact O-N 2.92Å; W427-D431 VanDerWaalsContact O-CB 3.26Å; W427-D431 WeakPolarHBondContact O-CB 3.48Å; W427-D431 PolarHBondContact O-N 2.95Å
428	E	91.3	Very high	89.1	Confident	112 Å²	112	54.6 Å²	54.6	52%	0.523	27%	0.27	S	S	.	.	H	α-helix	trans	-52.2	-40.7	169.8	-177.5	-179.4	-135	0	0	112.7	R235 T424 L426 R432	R235-E428 IonicContact CZ-OE2 2.67Å; R235-E428 VanDerWaalsContact CZ-OE2 3.32Å; R235-E428 IonicContact NH1-OE2 2.75Å; R235-E428 PolarHBondContact NH1-OE2 3.49Å; R235-E428 IonicContact NH2-OE2 3.46Å; R235-E428 PolarHBondContact NH2-OE2 2.77Å; T424-E428 WeakPolarHBondContact O-CB 3.48Å; T424-E428 PolarHBondContact O-N 3.32Å; L426-E428 VanDerWaalsContact C-N 3.34Å; E428-R432 WeakPolarHBondContact O-CB 3.35Å
429	L	92.7	Very high	89.1	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-80.3	-34.1	178.6	-66	-177.5	0	0	0	113.7	V212 V216 F223 L232 R235 L426 W427	V212-L429 HydrophobicContact CG1-CD1 4.15Å; V216-L429 HydrophobicContact CG2-CD1 4.03Å; F223-L429 HydrophobicContact CE2-CD2 4.03Å; F223-L429 HydrophobicContact CZ-CD2 3.57Å; L232-L429 HydrophobicContact CD2-CD2 4.32Å; R235-L429 HydrophobicContact CB-CD1 4.24Å; L426-L429 PolarHBondContact O-N 2.84Å; L426-L429 VanDerWaalsContact O-N 3.14Å; W427-L429 PolarHBondContact O-N 3.49Å
430	L	92.6	Very high	89	Confident	48 Å²	48	61.3 Å²	61.3	25%	0.251	31%	0.306	S	S	.	.	H	α-helix	trans	-82.6	-30.2	-174.9	-73	165.5	0	0	0	112.7	M211 V212 A215 L426 W427	M211-L430 HydrophobicContact CB-CD2 3.88Å; V212-L430 HydrophobicContact CG2-CD1 3.91Å; V212-L430 HydrophobicContact CG2-CD2 4.12Å; V212-L430 HydrophobicContact CG2-CG 4.08Å; A215-L430 HydrophobicContact CB-CD2 3.82Å; L426-L430 HydrophobicContact CB-CD1 4.44Å; L426-L430 WeakPolarHBondContact O-CB 3.39Å; L426-L430 VanDerWaalsContact O-CG 3.3Å; L426-L430 WeakPolarHBondContact O-CG 3.39Å; L426-L430 PolarHBondContact O-N 3.36Å; W427-L430 HydrophobicContact CE3-CD1 3.61Å; W427-L430 HydrophobicContact CZ3-CD1 3.42Å; W427-L430 VanDerWaalsContact CZ3-CD1 3.42Å; W427-L430 PolarHBondContact O-N 2.92Å
431	D	92.4	Very high	89.1	Confident	86 Å²	86	62.5 Å²	62.5	46%	0.46	32%	0.324	S	S	.	.	H	α-helix	trans	-85.7	-17.9	176.1	-66.2	-2.4	0	0	0	112.4	R118 W427 K433	R118-D431 IonicContact CZ-OD1 3.74Å; R118-D431 IonicContact CZ-OD2 2.78Å; R118-D431 VanDerWaalsContact NH1-CG 3.26Å; R118-D431 IonicContact NH1-OD1 2.85Å; R118-D431 PolarHBondContact NH1-OD1 3.5Å; R118-D431 IonicContact NH1-OD2 3.23Å; R118-D431 PolarHBondContact NH1-OD2 2.94Å; R118-D431 IonicContact NH2-OD1 3.76Å; R118-D431 IonicContact NH2-OD2 3.91Å; R118-D431 PolarHBondContact NH2-OD2 3.41Å; W427-D431 VanDerWaalsContact O-CB 3.26Å; W427-D431 WeakPolarHBondContact O-CB 3.48Å; W427-D431 PolarHBondContact O-N 2.95Å; D431-K433 PolarHBondContact O-N 3.5Å
432	R	93.1	Very high	89.3	Confident	82 Å²	82	65.7 Å²	65.7	31%	0.309	33%	0.333	S	S	.	.			trans	-64.3	106.1	179.1	-170.1	-179.3	-167.9	-86.5	3.3	110.3	Q219 E220 E428	Q219-R432 PolarHBondContact NE2-O 2.84Å; Q219-R432 VanDerWaalsContact OE1-CD 3.32Å; Q219-R432 PolarHBondContact OE1-O 2.85Å; E220-R432 VanDerWaalsContact CD-NH1 3.28Å; E220-R432 IonicContact OE1-CZ 3.38Å; E220-R432 VanDerWaalsContact OE1-CZ 3.29Å; E220-R432 IonicContact OE1-NH1 3.16Å; E220-R432 PolarHBondContact OE1-NH1 3.34Å; E220-R432 IonicContact OE1-NH2 2.71Å; E220-R432 PolarHBondContact OE1-NH2 2.99Å; E220-R432 IonicContact OE2-CZ 2.75Å; E220-R432 IonicContact OE2-NH1 3.69Å; E220-R432 PolarHBondContact OE2-NH1 3.49Å; E220-R432 IonicContact OE2-NH2 2.88Å; E428-R432 WeakPolarHBondContact O-CB 3.35Å
433	K	91.8	Very high	89.4	Confident	183 Å²	183	71 Å²	71	80%	0.796	36%	0.36	S	S	*	.			trans	-70.3	133.7	163.9	-59.7	-176.7	-178.2	-177.6	0	108.4	D431	D431-K433 PolarHBondContact O-N 3.5Å
434	P	91.9	Very high	89.3	Confident	39 Å²	39	71.4 Å²	71.4	25%	0.253	36%	0.362	S	S	.	.			trans	-65.5	159.4	171.1	30.1	-35.7	0	0	0	110.7	R218 E220 F436	R218-P434 VanDerWaalsContact O-CB 3.31Å; R218-P434 WeakPolarHBondContact O-CB 3.3Å; E220-P434 WeakPolarHBondContact OE2-CA 3.37Å; P434-F436 PolarHBondContact O-N 2.87Å
435	E	86.8	Confident	89.1	Confident	145 Å²	145	70.4 Å²	70.4	68%	0.678	36%	0.358	S	S	*	.	S	Bend	trans	-62.9	-30.7	178.8	-169.1	159.3	-147.1	0	0	112.5	E220	E220-E435 HydrophobicContact CG-CB 4.08Å; E220-E435 PolarHBondContact OE2-N 3.36Å; E220-E435 VanDerWaalsContact OE2-N 3.11Å
436	F	82.9	Confident	88.5	Confident	8 Å²	8	71.6 Å²	71.6	4%	0.035	38%	0.377	C	S	.	.	S	Bend	trans	-141.8	147.4	171.6	43	-98.3	0	0	0	111.2	E220 P434	E220-F436 HydrophobicContact CB-CE1 4.07Å; E220-F436 HydrophobicContact CB-CE2 4.06Å; E220-F436 HydrophobicContact CB-CZ 3.65Å; P434-F436 PolarHBondContact O-N 2.87Å
437	P	79.1	Confident	87.9	Confident	49 Å²	49	78.1 Å²	78.1	32%	0.318	41%	0.412	S	S	.	.			trans	-73	138.1	-178	29.8	-35.2	0	0	0	112.1	N439 E440 P524	P437-N439 PolarHBondContact O-N 3.06Å; P437-E440 HydrophobicContact CB-CB 3.82Å; P437-E440 HydrophobicContact CB-CG 3.94Å; P437-E440 HydrophobicContact CG-CB 3.77Å; P437-E440 HydrophobicContact CG-CG 4.39Å; P437-P524 WeakPolarHBondContact O-CG 3.5Å
438	L	80.3	Confident	87.6	Confident	54 Å²	54	81.6 Å²	81.6	28%	0.283	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.4	-176.7	-70.1	-169.7	0	0	0	115.4	L217 Y525	L217-L438 WeakPolarHBondContact O-CD1 3.32Å; L438-Y525 PolarHBondContact O-N 2.9Å
439	N	86.3	Confident	87.5	Confident	111 Å²	111	76.7 Å²	76.7	59%	0.594	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.3	39.6	-171.7	-168	31.2	0	0	0	112.2	P437 N523	P437-N439 PolarHBondContact O-N 3.06Å; N439-N523 VanDerWaalsContact C-ND2 3.32Å; N439-N523 PolarHBondContact O-ND2 2.86Å; N439-N523 PolarHBondContact OD1-ND2 2.86Å; N439-N523 PolarHBondContact OD1-OD1 3.46Å
440	E	88	Confident	87.4	Confident	137 Å²	137	83.7 Å²	83.7	64%	0.64	44%	0.437	S	S	*	.			trans	-129.2	150.9	171.2	-60.3	168.8	-161.6	0	0	107.5	P437 N523 P524	P437-E440 HydrophobicContact CB-CB 3.82Å; P437-E440 HydrophobicContact CB-CG 3.94Å; P437-E440 HydrophobicContact CG-CB 3.77Å; P437-E440 HydrophobicContact CG-CG 4.39Å; E440-N523 WeakPolarHBondContact O-CA 3.5Å; E440-P524 WeakPolarHBondContact O-CD 3.45Å
441	G	89.8	Confident	87.4	Confident	48 Å²	48	81.4 Å²	81.4	50%	0.495	43%	0.425	S	S	.	.	S	Bend	trans	124.5	176.4	-174	0	0	0	0	0	112.9	D521	G441-D521 CarbonylContact C-O 3.54Å; G441-D521 WeakPolarHBondContact CA-O 3.45Å
442	L	91	Very high	87.6	Confident	101 Å²	101	80.7 Å²	80.7	53%	0.529	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-72	152	-178.8	-64.6	173.8	0	0	0	112.3	D521 L522 N523	L442-D521 HydrophobicContact CD1-CB 4.29Å; L442-D521 PolarHBondContact N-O 3.41Å; L442-L522 HydrophobicContact CB-CD2 4.3Å; L442-N523 WeakPolarHBondContact O-CB 3.35Å; L442-N523 PolarHBondContact O-N 3.21Å
443	I	92.5	Very high	87.8	Confident	111 Å²	111	76.8 Å²	76.8	57%	0.569	40%	0.404	S	S	*	.			trans	-123.8	120	173.8	-72.7	175.2	0	0	0	106.4	N523 W526	I443-N523 HydrophobicContact CG1-CB 4.11Å; I443-W526 HydrophobicContact CG1-CB 4.09Å; I443-W526 HydrophobicContact CG1-CG 4.04Å; I443-W526 HydrophobicContact CG2-CG 4.26Å
444	L	88.6	Confident	88.1	Confident	10 Å²	10	71.2 Å²	71.2	5%	0.052	38%	0.381	C	S	.	.			trans	-78.4	150.9	177.9	-53.9	-177	0	0	0	110.6	Q448 L522 W526	L444-Q448 HydrophobicContact CB-CB 4.09Å; L444-L522 HydrophobicContact CD1-CD2 4.15Å; L444-L522 HydrophobicContact CD2-CD2 3.87Å; L444-L522 HydrophobicContact CG-CD2 3.78Å; L444-W526 HydrophobicContact CB-CH2 3.63Å; L444-W526 HydrophobicContact CB-CZ2 3.82Å; L444-W526 HydrophobicContact CB-CZ3 4.43Å; L444-W526 HydrophobicContact CD1-CH2 3.97Å; L444-W526 HydrophobicContact CD1-CZ3 4.37Å; L444-W526 HydrophobicContact CG-CH2 3.82Å; L444-W526 HydrophobicContact CG-CZ2 4.46Å; L444-W526 HydrophobicContact CG-CZ3 4.19Å
445	S	85.9	Confident	88.3	Confident	44 Å²	44	69.5 Å²	69.5	31%	0.308	37%	0.369	S	S	.	.			trans	-70	156.8	170.9	87.6	0	0	0	0	110.9	D447 Q448 L449	S445-D447 PolarHBondContact O-N 3.49Å; S445-D447 VanDerWaalsContact O-N 3.11Å; S445-D447 PolarHBondContact OG-N 3.12Å; S445-D447 PolarHBondContact OG-OD2 3.44Å; S445-Q448 PolarHBondContact O-N 2.88Å; S445-L449 PolarHBondContact O-N 3.13Å
446	P	78.1	Confident	88.8	Confident	114 Å²	114	64.1 Å²	64.1	74%	0.74	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-28	176.9	-26.7	36.4	0	0	0	114.2
447	D	80.1	Confident	89.4	Confident	137 Å²	137	67.8 Å²	67.8	73%	0.733	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-21.7	-179.7	-37	-80.6	0	0	0	113.2	S445	S445-D447 PolarHBondContact O-N 3.49Å; S445-D447 VanDerWaalsContact O-N 3.11Å; S445-D447 PolarHBondContact OG-N 3.12Å; S445-D447 PolarHBondContact OG-OD2 3.44Å
448	Q	83.9	Confident	90.3	Very high	89 Å²	89	65.5 Å²	65.5	42%	0.416	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-33.7	176.1	-70.3	174.1	-41.3	0	0	111.7	L444 S445 K450	L444-Q448 HydrophobicContact CB-CB 4.09Å; S445-Q448 PolarHBondContact O-N 2.88Å; Q448-K450 PolarHBondContact O-N 3.45Å; Q448-K450 VanDerWaalsContact O-N 3.1Å
449	L	89.6	Confident	91	Very high	9 Å²	9	64 Å²	64	5%	0.047	35%	0.346	C	S	.	.			trans	-79.5	89.2	-178.1	-177	66.1	0	0	0	112	S445 I514 D515 W526 H530 K614 I615	S445-L449 PolarHBondContact O-N 3.13Å; L449-I514 HydrophobicContact CD1-CG2 4Å; L449-D515 WeakPolarHBondContact CA-OD2 3.41Å; L449-W526 HydrophobicContact CD1-CH2 4.22Å; L449-W526 HydrophobicContact CD2-CH2 4.18Å; L449-W526 HydrophobicContact CD2-CZ2 4.19Å; L449-H530 HydrophobicContact CD2-CB 3.79Å; L449-H530 WeakPolarHBondContact CD2-CD2 3.43Å; L449-K614 HydrophobicContact CD2-CB 4.19Å; L449-K614 HydrophobicContact CD2-CG 3.89Å; L449-K614 HydrophobicContact CG-CB 4.41Å; L449-K614 HydrophobicContact CG-CG 4.24Å; L449-I615 HydrophobicContact CD1-CD1 4.47Å
450	K	91.3	Very high	91.5	Very high	152 Å²	152	58.8 Å²	58.8	66%	0.661	32%	0.319	S	S	*	.			trans	-87.8	-28.9	170.7	-58	169.9	-174.9	170.3	0	111.1	Q448 A480 D515	Q448-K450 PolarHBondContact O-N 3.45Å; Q448-K450 VanDerWaalsContact O-N 3.1Å; K450-A480 HydrophobicContact CB-CB 4.01Å; K450-A480 WeakPolarHBondContact O-CB 3.38Å; K450-D515 WeakPolarHBondContact CB-OD1 3.35Å; K450-D515 PolarHBondContact N-OD2 3.21Å
451	G	92.8	Very high	91.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.289	C	S	.	.			trans	91.3	25.5	177.4	0	0	0	0	0	114.6	D515 T645	G451-D515 PolarHBondContact N-OD1 2.65Å; G451-D515 VanDerWaalsContact N-OD1 3.11Å; G451-D515 PolarHBondContact N-OD2 2.87Å; G451-T645 VanDerWaalsContact O-CB 3.29Å; G451-T645 WeakPolarHBondContact O-CB 3.44Å; G451-T645 WeakPolarHBondContact O-CG2 3.38Å; G451-T645 PolarHBondContact O-OG1 3.09Å
452	Q	96.1	Very high	91.9	Very high	71 Å²	71	52.7 Å²	52.7	33%	0.332	28%	0.276	S	S	.	.			trans	-70.1	134.2	166.9	177.7	179.6	-33.2	0	0	109.2	V478 A480 I514 D515	Q452-V478 WeakPolarHBondContact CA-O 3.4Å; Q452-A480 HydrophobicContact CB-CB 4.19Å; Q452-I514 VanDerWaalsContact O-CA 3.31Å; Q452-I514 WeakPolarHBondContact O-CA 3.43Å; Q452-D515 WeakPolarHBondContact CB-OD1 3.21Å; Q452-D515 PolarHBondContact N-OD1 3.41Å; Q452-D515 PolarHBondContact O-N 3.46Å
453	L	97.1	Very high	91.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143.1	175.5	-45.8	177.5	0	0	0	110.2	M477 V478 L501 I514 I615	L453-M477 CarbonylContact O-C 3.58Å; L453-M477 WeakPolarHBondContact O-CA 3.17Å; L453-V478 HydrophobicContact CB-CB 4.01Å; L453-V478 HydrophobicContact CB-CG2 4.18Å; L453-V478 HydrophobicContact CD1-CB 4.34Å; L453-V478 HydrophobicContact CD1-CG2 4.31Å; L453-V478 HydrophobicContact CG-CB 4.3Å; L453-V478 PolarHBondContact N-O 3.47Å; L453-V478 PolarHBondContact O-N 3.42Å; L453-L501 HydrophobicContact CB-CD2 4.46Å; L453-L501 HydrophobicContact CD1-CD1 3.98Å; L453-L501 HydrophobicContact CD1-CD2 4.15Å; L453-L501 HydrophobicContact CD2-CD2 4.34Å; L453-I514 HydrophobicContact CD2-CD1 4.12Å; L453-I514 HydrophobicContact CD2-CG1 3.87Å; L453-I514 HydrophobicContact CD2-CG2 4.49Å; L453-I615 HydrophobicContact CD1-CG2 4.05Å; L453-I615 HydrophobicContact CD2-CD1 3.74Å; L453-I615 HydrophobicContact CD2-CG1 4.07Å; L453-I615 HydrophobicContact CD2-CG2 4.1Å
454	E	97.2	Very high	91.8	Very high	67 Å²	67	47.3 Å²	47.3	31%	0.313	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	137.6	176.7	174.8	174.2	-128.7	0	0	111.3	L476 M477 I512 S513	E454-L476 CarbonylContact C-O 3.59Å; E454-L476 WeakPolarHBondContact CA-O 3.46Å; E454-M477 HydrophobicContact CB-CG 4.49Å; E454-I512 CarbonylContact O-C 3.55Å; E454-I512 WeakPolarHBondContact O-CA 3.49Å; E454-S513 WeakPolarHBondContact CB-OG 3.34Å; E454-S513 PolarHBondContact N-O 2.99Å; E454-S513 PolarHBondContact O-N 3.3Å; E454-S513 PolarHBondContact OE2-OG 3.17Å
455	F	97.4	Very high	91.8	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.4	172.6	-63.1	-109.4	0	0	0	106.5	V458 L474 N475 L476 L497 L501 I512	F455-V458 HydrophobicContact CB-CG2 3.9Å; F455-V458 HydrophobicContact CD1-CG2 4.14Å; F455-L474 HydrophobicContact CB-CD2 3.64Å; F455-L474 HydrophobicContact CD1-CD2 4.02Å; F455-L474 HydrophobicContact CG-CD2 3.92Å; F455-N475 VanDerWaalsContact O-CA 3.3Å; F455-N475 WeakPolarHBondContact O-CA 3.44Å; F455-L476 HydrophobicContact CB-CB 4.19Å; F455-L476 HydrophobicContact CD2-CB 3.96Å; F455-L476 HydrophobicContact CD2-CD2 4.19Å; F455-L476 HydrophobicContact CD2-CG 4.3Å; F455-L476 HydrophobicContact CE2-CD2 4.17Å; F455-L476 HydrophobicContact CG-CB 4.35Å; F455-L476 PolarHBondContact N-O 2.9Å; F455-L476 PolarHBondContact O-N 2.88Å; F455-L476 VanDerWaalsContact O-N 3.09Å; F455-L497 HydrophobicContact CD1-CD2 4.26Å; F455-L497 HydrophobicContact CE1-CD2 3.65Å; F455-L497 HydrophobicContact CZ-CB 4.18Å; F455-L497 HydrophobicContact CZ-CD2 3.82Å; F455-L497 HydrophobicContact CZ-CG 4.49Å; F455-L501 HydrophobicContact CE1-CG 4.45Å; F455-L501 HydrophobicContact CE2-CD1 4.22Å; F455-L501 HydrophobicContact CE2-CD2 4.11Å; F455-L501 HydrophobicContact CE2-CG 4.27Å; F455-L501 HydrophobicContact CZ-CD1 3.82Å; F455-L501 HydrophobicContact CZ-CD2 3.87Å; F455-L501 HydrophobicContact CZ-CG 3.64Å; F455-I512 HydrophobicContact CD1-CD1 3.79Å; F455-I512 HydrophobicContact CD1-CG1 3.75Å; F455-I512 HydrophobicContact CD1-CG2 4.41Å; F455-I512 HydrophobicContact CE1-CD1 3.82Å; F455-I512 HydrophobicContact CE1-CG1 4.22Å; F455-I512 HydrophobicContact CE1-CG2 4.43Å; F455-I512 HydrophobicContact CG-CG1 4.4Å
456	S	96.9	Very high	91.9	Very high	32 Å²	32	59.3 Å²	59.3	22%	0.224	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	112.7	-179.5	-66.4	0	0	0	0	111	V458 G510 T511	S456-V458 PolarHBondContact O-N 3.18Å; S456-V458 VanDerWaalsContact O-N 3.15Å; S456-G510 CarbonylContact O-C 3.58Å; S456-G510 WeakPolarHBondContact O-CA 3.35Å; S456-T511 WeakPolarHBondContact CB-OG1 3.17Å; S456-T511 PolarHBondContact N-O 2.85Å; S456-T511 PolarHBondContact O-N 3.31Å
457	N	96.1	Very high	92.3	Very high	86 Å²	86	61.2 Å²	61.2	46%	0.46	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.9	35.8	179.5	-60.9	-63.4	0	0	0	115	S459 L474 N475	N457-S459 PolarHBondContact O-N 3.01Å; N457-L474 CarbonylContact C-O 3.6Å; N457-L474 WeakPolarHBondContact CA-O 3.44Å; N457-L474 PolarHBondContact N-O 3.25Å; N457-L474 VanDerWaalsContact N-O 3.17Å; N457-N475 PolarHBondContact N-OD1 3.23Å; N457-N475 PolarHBondContact OD1-ND2 2.92Å; N457-N475 PolarHBondContact OD1-OD1 3.33Å
458	V	96.8	Very high	92.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	127.5	-172.7	173.8	0	0	0	0	111.6	F455 S456 N473 L474 L500 P507 A509 T511 I512	F455-V458 HydrophobicContact CB-CG2 3.9Å; F455-V458 HydrophobicContact CD1-CG2 4.14Å; S456-V458 PolarHBondContact O-N 3.18Å; S456-V458 VanDerWaalsContact O-N 3.15Å; V458-N473 PolarHBondContact O-N 3.41Å; V458-L474 HydrophobicContact CB-CB 4.35Å; V458-L474 PolarHBondContact N-O 3.4Å; V458-L474 WeakPolarHBondContact O-CB 3.25Å; V458-L474 PolarHBondContact O-N 3.43Å; V458-L500 HydrophobicContact CG1-CD1 4.25Å; V458-P507 HydrophobicContact CG1-CB 3.97Å; V458-A509 WeakPolarHBondContact CA-O 3.33Å; V458-T511 WeakPolarHBondContact CG2-O 3.35Å; V458-I512 HydrophobicContact CG1-CD1 4.48Å; V458-I512 HydrophobicContact CG2-CD1 4.37Å; V458-I512 HydrophobicContact CG2-CG1 3.72Å
459	S	95.8	Very high	93	Very high	22 Å²	22	56.6 Å²	56.6	15%	0.154	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.5	171.5	-56.4	0	0	0	0	109.8	N457 F471 N473 D508 A509	N457-S459 PolarHBondContact O-N 3.01Å; S459-F471 WeakPolarHBondContact CA-O 3.14Å; S459-N473 PolarHBondContact OG-N 2.91Å; S459-D508 PolarHBondContact O-N 3.08Å; S459-A509 PolarHBondContact N-O 3.02Å; S459-A509 PolarHBondContact O-N 3.3Å
460	F	95.8	Very high	93.2	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.013	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	136.6	-170.9	177.3	-113.8	0	0	0	112.9	Y462 I470 F471 L500 Y505 D508	F460-Y462 HydrophobicContact CE1-CD1 4.23Å; F460-Y462 HydrophobicContact CE1-CD2 4.03Å; F460-Y462 HydrophobicContact CE1-CE1 4.15Å; F460-Y462 AromaticContact CE1-CE2 3.95Å; F460-Y462 HydrophobicContact CE1-CE2 3.95Å; F460-Y462 HydrophobicContact CE1-CG 4.16Å; F460-Y462 HydrophobicContact CZ-CD1 4.08Å; F460-Y462 HydrophobicContact CZ-CE1 4.23Å; F460-Y462 HydrophobicContact CZ-CG 4.25Å; F460-I470 HydrophobicContact CD1-CB 4.22Å; F460-I470 HydrophobicContact CD1-CG1 4.36Å; F460-I470 WeakPolarHBondContact O-CB 3.32Å; F460-I470 PolarHBondContact O-N 2.98Å; F460-F471 HydrophobicContact CB-CB 4.41Å; F460-F471 HydrophobicContact CB-CD2 4.11Å; F460-F471 HydrophobicContact CD1-CD2 4.47Å; F460-F471 PolarHBondContact N-O 2.93Å; F460-F471 VanDerWaalsContact N-O 3.12Å; F460-F471 PolarHBondContact O-N 3.12Å; F460-L500 HydrophobicContact CB-CD1 4.33Å; F460-L500 HydrophobicContact CD1-CD1 4.28Å; F460-L500 HydrophobicContact CD1-CD2 4.49Å; F460-L500 HydrophobicContact CD2-CD2 4.01Å; F460-L500 HydrophobicContact CE2-CD2 4.08Å; F460-L500 HydrophobicContact CG-CD1 4.23Å; F460-L500 HydrophobicContact CG-CD2 4.23Å; F460-L500 HydrophobicContact CZ-CD2 4.35Å; F460-Y505 HydrophobicContact CE2-CG 4.18Å; F460-Y505 HydrophobicContact CZ-CD1 4.46Å; F460-Y505 HydrophobicContact CZ-CD2 4.1Å; F460-Y505 AromaticContact CZ-CG 3.9Å; F460-Y505 HydrophobicContact CZ-CG 3.9Å; F460-D508 WeakPolarHBondContact CA-OD2 3.25Å
461	S	94.4	Very high	93.4	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.3	163.6	-65.1	0	0	0	0	110.6	K466 H469 D508	S461-K466 WeakPolarHBondContact CB-O 3.23Å; S461-K466 PolarHBondContact OG-O 3.44Å; S461-H469 WeakPolarHBondContact OG-CA 3.45Å; S461-H469 PolarHBondContact OG-N 2.7Å; S461-H469 PolarHBondContact OG-ND1 2.9Å; S461-D508 PolarHBondContact N-OD2 3.32Å
462	Y	93.4	Very high	93.4	Very high	54 Å²	54	54.4 Å²	54.4	21%	0.212	27%	0.272	C	S	.	.			trans	-61.8	136.7	173.8	-81.4	-83	0	0	0	111.4	F460 T464 R465 K466 I470 S496 Y505	F460-Y462 HydrophobicContact CE1-CD1 4.23Å; F460-Y462 HydrophobicContact CE1-CD2 4.03Å; F460-Y462 HydrophobicContact CE1-CE1 4.15Å; F460-Y462 AromaticContact CE1-CE2 3.95Å; F460-Y462 HydrophobicContact CE1-CE2 3.95Å; F460-Y462 HydrophobicContact CE1-CG 4.16Å; F460-Y462 HydrophobicContact CZ-CD1 4.08Å; F460-Y462 HydrophobicContact CZ-CE1 4.23Å; F460-Y462 HydrophobicContact CZ-CG 4.25Å; Y462-T464 PolarHBondContact O-N 3.18Å; Y462-R465 CarbonylContact O-C 3.54Å; Y462-R465 VanDerWaalsContact O-C 3.25Å; Y462-R465 PolarHBondContact O-N 3.06Å; Y462-K466 PolarHBondContact O-N 3.27Å; Y462-I470 HydrophobicContact CD2-CD1 4.03Å; Y462-I470 HydrophobicContact CD2-CG1 3.73Å; Y462-I470 HydrophobicContact CE2-CD1 4.26Å; Y462-I470 HydrophobicContact CE2-CG1 3.96Å; Y462-S496 WeakPolarHBondContact CE2-OG 3.37Å; Y462-S496 WeakPolarHBondContact OH-CB 3.49Å; Y462-S496 PolarHBondContact OH-OG 2.9Å; Y462-Y505 HydrophobicContact CD1-CE1 4.35Å; Y462-Y505 HydrophobicContact CD1-CE2 4.34Å; Y462-Y505 HydrophobicContact CE1-CD2 4.41Å; Y462-Y505 AromaticContact CE1-CE2 3.79Å; Y462-Y505 HydrophobicContact CE1-CE2 3.79Å; Y462-Y505 AromaticContact CE1-CZ 3.9Å
463	P	90.3	Very high	93.3	Very high	28 Å²	28	56 Å²	56	18%	0.182	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-7.5	-176.5	-28.6	38.3	0	0	0	116.7	A222 K226 Y505	A222-P463 HydrophobicContact CB-CB 3.94Å; A222-P463 HydrophobicContact CB-CG 3.76Å; K226-P463 VanDerWaalsContact CE-O 3.25Å; K226-P463 WeakPolarHBondContact CE-O 3.38Å; P463-Y505 HydrophobicContact CG-CD1 4.07Å
464	T	89.4	Confident	93.2	Very high	71 Å²	71	56 Å²	56	44%	0.436	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-12.6	171	45.6	0	0	0	0	113.9	D225 K226 Y462	D225-T464 HydrophobicContact CB-CG2 3.68Å; K226-T464 HydrophobicContact CG-CG2 3.86Å; Y462-T464 PolarHBondContact O-N 3.18Å
465	R	89.4	Confident	93.1	Very high	185 Å²	185	56.3 Å²	56.3	70%	0.698	29%	0.287	S	S	*	.			trans	-147.6	62	-176.5	-63.6	-174.4	178.5	175.6	0	110.7	Y462 D467 A468	Y462-R465 CarbonylContact O-C 3.54Å; Y462-R465 VanDerWaalsContact O-C 3.25Å; Y462-R465 PolarHBondContact O-N 3.06Å; R465-D467 PolarHBondContact O-N 3.1Å; R465-D467 VanDerWaalsContact O-N 3.16Å; R465-A468 HydrophobicContact CB-CB 4.06Å; R465-A468 WeakPolarHBondContact O-CB 3.47Å; R465-A468 PolarHBondContact O-N 3.12Å
466	K	87.6	Confident	93	Very high	120 Å²	120	56.8 Å²	56.8	52%	0.522	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.4	-174.7	-77.8	-149	167.5	-124.3	0	114	S461 Y462 A468 D508	S461-K466 WeakPolarHBondContact CB-O 3.23Å; S461-K466 PolarHBondContact OG-O 3.44Å; Y462-K466 PolarHBondContact O-N 3.27Å; K466-A468 PolarHBondContact O-N 3.45Å; K466-D508 IonicContact NZ-OD1 3.57Å; K466-D508 PolarHBondContact NZ-OD1 2.97Å
467	D	87.9	Confident	93	Very high	154 Å²	154	59.7 Å²	59.7	82%	0.824	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20	177.6	-41.3	-61.8	0	0	0	113.4	R465 H469	R465-D467 PolarHBondContact O-N 3.1Å; R465-D467 VanDerWaalsContact O-N 3.16Å; D467-H469 PolarHBondContact O-N 2.67Å
468	A	89.1	Confident	93	Very high	46 Å²	46	55.6 Å²	55.6	38%	0.38	28%	0.279	S	S	.	.	S	Bend	trans	-95.7	72.6	-177.4	0	0	0	0	0	111.3	R465 K466 I470	R465-A468 HydrophobicContact CB-CB 4.06Å; R465-A468 WeakPolarHBondContact O-CB 3.47Å; R465-A468 PolarHBondContact O-N 3.12Å; K466-A468 PolarHBondContact O-N 3.45Å; A468-I470 PolarHBondContact O-N 3.26Å
469	H	89.6	Confident	92.9	Very high	83 Å²	83	58 Å²	58	38%	0.384	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52	127.8	174.1	-62.3	-54.2	0	0	0	111.9	S461 D467 Q472 R668	S461-H469 WeakPolarHBondContact OG-CA 3.45Å; S461-H469 PolarHBondContact OG-N 2.7Å; S461-H469 PolarHBondContact OG-ND1 2.9Å; D467-H469 PolarHBondContact O-N 2.67Å; H469-Q472 HydrophobicContact CB-CG 4.11Å; H469-Q472 PolarHBondContact CD2-NE2 3.36Å; H469-Q472 VanDerWaalsContact CD2-NE2 3.35Å; H469-R668 WeakPolarHBondContact O-CD 3.32Å; H469-R668 PolarHBondContact O-NE 2.98Å
470	I	93.7	Very high	92.9	Very high	35 Å²	35	59 Å²	59	18%	0.179	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-44.8	176.4	-53.7	-58.5	0	0	0	110	F460 Y462 A468 R668	F460-I470 HydrophobicContact CD1-CB 4.22Å; F460-I470 HydrophobicContact CD1-CG1 4.36Å; F460-I470 WeakPolarHBondContact O-CB 3.32Å; F460-I470 PolarHBondContact O-N 2.98Å; Y462-I470 HydrophobicContact CD2-CD1 4.03Å; Y462-I470 HydrophobicContact CD2-CG1 3.73Å; Y462-I470 HydrophobicContact CE2-CD1 4.26Å; Y462-I470 HydrophobicContact CE2-CG1 3.96Å; A468-I470 PolarHBondContact O-N 3.26Å; I470-R668 WeakPolarHBondContact O-CA 3.32Å; I470-R668 VanDerWaalsContact O-CB 3.24Å; I470-R668 WeakPolarHBondContact O-CB 3.38Å; I470-R668 WeakPolarHBondContact O-CG 3.46Å
471	F	95.1	Very high	92.8	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.2	177.7	-58.8	-45.6	0	0	0	111.6	S459 F460 L474 G493 L497 L500 L665 R668	S459-F471 WeakPolarHBondContact CA-O 3.14Å; F460-F471 HydrophobicContact CB-CB 4.41Å; F460-F471 HydrophobicContact CB-CD2 4.11Å; F460-F471 HydrophobicContact CD1-CD2 4.47Å; F460-F471 PolarHBondContact N-O 2.93Å; F460-F471 VanDerWaalsContact N-O 3.12Å; F460-F471 PolarHBondContact O-N 3.12Å; F471-L474 HydrophobicContact CB-CB 4.19Å; F471-L474 HydrophobicContact CB-CD1 4.41Å; F471-L474 HydrophobicContact CD1-CD1 3.4Å; F471-L474 HydrophobicContact CD2-CD1 4.4Å; F471-L474 HydrophobicContact CE1-CD1 3.62Å; F471-L474 HydrophobicContact CG-CB 4.47Å; F471-L474 HydrophobicContact CG-CD1 3.83Å; F471-L474 HydrophobicContact CZ-CD1 4.21Å; F471-G493 VanDerWaalsContact CZ-O 3.23Å; F471-G493 WeakPolarHBondContact CZ-O 3.36Å; F471-L497 HydrophobicContact CE1-CD2 4.23Å; F471-L497 HydrophobicContact CE2-CD2 3.78Å; F471-L497 HydrophobicContact CE2-CG 4.44Å; F471-L497 HydrophobicContact CZ-CD2 3.49Å; F471-L497 VanDerWaalsContact CZ-CD2 3.49Å; F471-L497 HydrophobicContact CZ-CG 3.85Å; F471-L500 HydrophobicContact CD2-CD1 3.92Å; F471-L500 HydrophobicContact CE2-CD1 3.81Å; F471-L665 HydrophobicContact CE1-CD1 4.41Å; F471-R668 WeakPolarHBondContact CA-O 3.41Å
472	Q	92.9	Very high	92.8	Very high	79 Å²	79	62.7 Å²	62.7	37%	0.369	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	108.8	176.5	-69.3	-176.1	-52.5	0	0	109.3	H469 L474 R668	H469-Q472 HydrophobicContact CB-CG 4.11Å; H469-Q472 PolarHBondContact CD2-NE2 3.36Å; H469-Q472 VanDerWaalsContact CD2-NE2 3.35Å; Q472-L474 VanDerWaalsContact C-N 3.26Å; Q472-L474 PolarHBondContact O-N 2.9Å; Q472-R668 HydrophobicContact CB-CB 4.23Å; Q472-R668 HydrophobicContact CG-CB 4.28Å; Q472-R668 PolarHBondContact N-O 3.3Å
473	N	92.7	Very high	92.9	Very high	106 Å²	106	61.9 Å²	61.9	57%	0.567	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.9	42.5	-176	-59.5	-27.8	0	0	0	113.7	V458 S459 N475	V458-N473 PolarHBondContact O-N 3.41Å; S459-N473 PolarHBondContact OG-N 2.91Å; N473-N475 PolarHBondContact O-N 3.35Å; N473-N475 PolarHBondContact O-ND2 3.42Å
474	L	95	Very high	93.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	126.5	177.7	-178.2	150.5	0	0	0	110.2	F455 N457 V458 F471 Q472 L476 L497 L665 V670	F455-L474 HydrophobicContact CB-CD2 3.64Å; F455-L474 HydrophobicContact CD1-CD2 4.02Å; F455-L474 HydrophobicContact CG-CD2 3.92Å; N457-L474 CarbonylContact C-O 3.6Å; N457-L474 WeakPolarHBondContact CA-O 3.44Å; N457-L474 PolarHBondContact N-O 3.25Å; N457-L474 VanDerWaalsContact N-O 3.17Å; V458-L474 HydrophobicContact CB-CB 4.35Å; V458-L474 PolarHBondContact N-O 3.4Å; V458-L474 WeakPolarHBondContact O-CB 3.25Å; V458-L474 PolarHBondContact O-N 3.43Å; F471-L474 HydrophobicContact CB-CB 4.19Å; F471-L474 HydrophobicContact CB-CD1 4.41Å; F471-L474 HydrophobicContact CD1-CD1 3.4Å; F471-L474 HydrophobicContact CD2-CD1 4.4Å; F471-L474 HydrophobicContact CE1-CD1 3.62Å; F471-L474 HydrophobicContact CG-CB 4.47Å; F471-L474 HydrophobicContact CG-CD1 3.83Å; F471-L474 HydrophobicContact CZ-CD1 4.21Å; Q472-L474 VanDerWaalsContact C-N 3.26Å; Q472-L474 PolarHBondContact O-N 2.9Å; L474-L476 HydrophobicContact CD2-CB 3.94Å; L474-L497 HydrophobicContact CD1-CD2 4.05Å; L474-L497 HydrophobicContact CD2-CD2 4.35Å; L474-L665 HydrophobicContact CD1-CD2 3.7Å; L474-V670 HydrophobicContact CG-CG2 4.32Å
475	N	95.7	Very high	93.3	Very high	73 Å²	73	57.3 Å²	57.3	39%	0.39	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.7	172.9	-69.7	-86	0	0	0	108.5	F455 N457 N473 V670	F455-N475 VanDerWaalsContact O-CA 3.3Å; F455-N475 WeakPolarHBondContact O-CA 3.44Å; N457-N475 PolarHBondContact N-OD1 3.23Å; N457-N475 PolarHBondContact OD1-ND2 2.92Å; N457-N475 PolarHBondContact OD1-OD1 3.33Å; N473-N475 PolarHBondContact O-N 3.35Å; N473-N475 PolarHBondContact O-ND2 3.42Å; N475-V670 WeakPolarHBondContact O-CG2 3.47Å
476	L	95.7	Very high	93.5	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.058	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	137.3	-175.9	-178.7	62.4	0	0	0	109.6	E454 F455 L474 M484 L497 A663 V670	E454-L476 CarbonylContact C-O 3.59Å; E454-L476 WeakPolarHBondContact CA-O 3.46Å; F455-L476 HydrophobicContact CB-CB 4.19Å; F455-L476 HydrophobicContact CD2-CB 3.96Å; F455-L476 HydrophobicContact CD2-CD2 4.19Å; F455-L476 HydrophobicContact CD2-CG 4.3Å; F455-L476 HydrophobicContact CE2-CD2 4.17Å; F455-L476 HydrophobicContact CG-CB 4.35Å; F455-L476 PolarHBondContact N-O 2.9Å; F455-L476 PolarHBondContact O-N 2.88Å; F455-L476 VanDerWaalsContact O-N 3.09Å; L474-L476 HydrophobicContact CD2-CB 3.94Å; L476-M484 HydrophobicContact CD1-SD 3.65Å; L476-M484 HydrophobicContact CG-SD 4.4Å; L476-L497 HydrophobicContact CD2-CD1 4.02Å; L476-A663 HydrophobicContact CD1-CB 3.56Å; L476-V670 HydrophobicContact CB-CG2 4.16Å; L476-V670 HydrophobicContact CD1-CG2 4.09Å
477	M	95.9	Very high	93.7	Very high	93 Å²	93	42.9 Å²	42.9	46%	0.458	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.8	178	-177.6	-100.6	-73.2	0	0	110.1	L453 E454 P479 M484	L453-M477 CarbonylContact O-C 3.58Å; L453-M477 WeakPolarHBondContact O-CA 3.17Å; E454-M477 HydrophobicContact CB-CG 4.49Å; M477-P479 HydrophobicContact SD-CG 3.88Å; M477-M484 VanDerWaalsContact O-CE 3.23Å; M477-M484 WeakPolarHBondContact O-CE 3.39Å
478	V	96.4	Very high	93.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	106.8	179	-169.1	0	0	0	0	108	Q452 L453 M484 T645	Q452-V478 WeakPolarHBondContact CA-O 3.4Å; L453-V478 HydrophobicContact CB-CB 4.01Å; L453-V478 HydrophobicContact CB-CG2 4.18Å; L453-V478 HydrophobicContact CD1-CB 4.34Å; L453-V478 HydrophobicContact CD1-CG2 4.31Å; L453-V478 HydrophobicContact CG-CB 4.3Å; L453-V478 PolarHBondContact N-O 3.47Å; L453-V478 PolarHBondContact O-N 3.42Å; V478-M484 HydrophobicContact CG1-CB 3.91Å; V478-M484 HydrophobicContact CG2-CB 4.4Å; V478-M484 HydrophobicContact CG2-SD 3.9Å; V478-T645 HydrophobicContact CB-CG2 4.42Å; V478-T645 HydrophobicContact CG1-CG2 3.58Å
479	P	95.3	Very high	93.5	Very high	51 Å²	51	36.7 Å²	36.7	33%	0.331	22%	0.216	S	C	.	.			trans	-61.3	143.5	179	-22.7	32.4	0	0	0	112.7	M477 G481 T482	M477-P479 HydrophobicContact SD-CG 3.88Å; P479-G481 PolarHBondContact O-N 3.49Å; P479-T482 HydrophobicContact CB-CG2 3.9Å; P479-T482 WeakPolarHBondContact CD-OG1 3.49Å; P479-T482 PolarHBondContact O-N 3.5Å; P479-T482 PolarHBondContact O-OG1 2.86Å
480	A	95.1	Very high	93.2	Very high	43 Å²	43	37.8 Å²	37.8	36%	0.355	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	130.1	179.1	0	0	0	0	0	112.2	K450 Q452 T482	K450-A480 HydrophobicContact CB-CB 4.01Å; K450-A480 WeakPolarHBondContact O-CB 3.38Å; Q452-A480 HydrophobicContact CB-CB 4.19Å; A480-T482 VanDerWaalsContact C-N 3.3Å; A480-T482 PolarHBondContact O-N 2.88Å
481	G	93.8	Very high	92.5	Very high	49 Å²	49	40 Å²	40	51%	0.505	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	6.8	178.2	0	0	0	0	0	116	P479 T645	P479-G481 PolarHBondContact O-N 3.49Å; G481-T645 PolarHBondContact N-OG1 2.84Å
482	T	95.2	Very high	92	Very high	35 Å²	35	40.7 Å²	40.7	22%	0.215	27%	0.269	C	S	.	.			trans	-100.8	160.6	177.5	65.7	0	0	0	0	112.9	P479 A480 V646 D660	P479-T482 HydrophobicContact CB-CG2 3.9Å; P479-T482 WeakPolarHBondContact CD-OG1 3.49Å; P479-T482 PolarHBondContact O-N 3.5Å; P479-T482 PolarHBondContact O-OG1 2.86Å; A480-T482 VanDerWaalsContact C-N 3.3Å; A480-T482 PolarHBondContact O-N 2.88Å; T482-V646 PolarHBondContact O-N 3.08Å; T482-D660 WeakPolarHBondContact CA-OD2 3.32Å
483	I	95	Very high	91.8	Very high	36 Å²	36	37.3 Å²	37.3	19%	0.185	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	109.7	175.1	-58.7	161.2	0	0	0	108.8	M641 V646 I648 A659 D660 S661	I483-M641 HydrophobicContact CB-CE 4.46Å; I483-M641 HydrophobicContact CD1-CE 3.67Å; I483-M641 HydrophobicContact CG1-CE 3.93Å; I483-M641 HydrophobicContact CG2-CE 3.66Å; I483-V646 HydrophobicContact CB-CB 4.42Å; I483-V646 HydrophobicContact CG1-CB 4.11Å; I483-V646 HydrophobicContact CG1-CG2 4.09Å; I483-V646 HydrophobicContact CG2-CB 4.35Å; I483-I648 HydrophobicContact CG2-CG2 4.3Å; I483-A659 HydrophobicContact CG2-CB 4.01Å; I483-D660 PolarHBondContact N-OD2 2.92Å; I483-D660 PolarHBondContact O-N 3.46Å; I483-S661 PolarHBondContact O-N 3.46Å
484	M	95.3	Very high	91.7	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.02	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.2	171.5	-177.3	168.3	-73.7	0	0	111.8	L476 M477 V478 V646 I648 S661 A663	L476-M484 HydrophobicContact CD1-SD 3.65Å; L476-M484 HydrophobicContact CG-SD 4.4Å; M477-M484 VanDerWaalsContact O-CE 3.23Å; M477-M484 WeakPolarHBondContact O-CE 3.39Å; V478-M484 HydrophobicContact CG1-CB 3.91Å; V478-M484 HydrophobicContact CG2-CB 4.4Å; V478-M484 HydrophobicContact CG2-SD 3.9Å; M484-V646 PolarHBondContact N-O 2.91Å; M484-I648 PolarHBondContact O-N 2.72Å; M484-S661 WeakPolarHBondContact CA-O 3.35Å; M484-A663 HydrophobicContact SD-CB 4Å
485	A	93.8	Very high	91.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.6	170.9	0	0	0	0	0	111.2	I648 A650 A659 S661 V662 A663	A485-I648 CarbonylContact C-O 3.6Å; A485-I648 WeakPolarHBondContact CA-O 3.26Å; A485-I648 HydrophobicContact CB-CG2 4.27Å; A485-A650 HydrophobicContact CB-CB 4.12Å; A485-A659 HydrophobicContact CB-CB 3.7Å; A485-S661 PolarHBondContact N-O 3.01Å; A485-V662 HydrophobicContact CB-CG1 4.32Å; A485-V662 HydrophobicContact CB-CG2 4.4Å; A485-V662 CarbonylContact O-C 3.51Å; A485-V662 VanDerWaalsContact O-CA 3.29Å; A485-V662 WeakPolarHBondContact O-CA 3.4Å; A485-V662 WeakPolarHBondContact O-CG1 3.39Å; A485-A663 PolarHBondContact O-N 2.89Å
486	V	93.5	Very high	91.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.4	173.5	-176.8	0	0	0	0	109.1	L497 M647 I648 A650 A663 L665	V486-L497 HydrophobicContact CG1-CD1 3.96Å; V486-L497 HydrophobicContact CG2-CD1 4.13Å; V486-M647 HydrophobicContact CG2-CG 3.83Å; V486-M647 HydrophobicContact CG2-SD 4.24Å; V486-I648 PolarHBondContact N-O 3Å; V486-A650 PolarHBondContact O-N 2.82Å; V486-A663 WeakPolarHBondContact CA-O 3.43Å; V486-L665 HydrophobicContact CG1-CD1 3.61Å; V486-L665 HydrophobicContact CG1-CG 3.95Å
487	V	91	Very high	91.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	158.1	-176.5	-54.8	0	0	0	0	110.7	A650 I656 V662 A663 V664 L665 F687	V487-A650 HydrophobicContact CG1-CB 4.31Å; V487-I656 HydrophobicContact CG1-CD1 3.66Å; V487-I656 HydrophobicContact CG1-CG1 3.87Å; V487-V662 HydrophobicContact CB-CG1 4.44Å; V487-V662 HydrophobicContact CG1-CG1 3.9Å; V487-V662 HydrophobicContact CG2-CG1 3.67Å; V487-A663 PolarHBondContact N-O 3.18Å; V487-V664 HydrophobicContact CG2-CB 4.26Å; V487-V664 HydrophobicContact CG2-CG1 4.36Å; V487-V664 HydrophobicContact CG2-CG2 3.81Å; V487-V664 CarbonylContact O-C 3.57Å; V487-V664 WeakPolarHBondContact O-CA 3.46Å; V487-L665 PolarHBondContact O-N 2.84Å; V487-F687 HydrophobicContact CG2-CD2 3.92Å; V487-F687 HydrophobicContact CG2-CE2 4.13Å
488	G	89.1	Confident	91.2	Very high	14 Å²	14	27.8 Å²	27.8	14%	0.144	21%	0.211	C	C	.	.			trans	156.4	164.3	-178.1	0	0	0	0	0	112.3	K494 L665	G488-K494 PolarHBondContact O-NZ 3.24Å; G488-L665 WeakPolarHBondContact CA-O 3.38Å
489	P	84.1	Confident	91.1	Very high	57 Å²	57	28.8 Å²	28.8	37%	0.37	22%	0.219	S	C	.	.			trans	-62.4	161.2	-177	26.4	-33.4	0	0	0	112.5	G491 S492 L665	P489-G491 PolarHBondContact O-N 3.43Å; P489-S492 VanDerWaalsContact O-CB 3.25Å; P489-S492 WeakPolarHBondContact O-CB 3.28Å; P489-S492 PolarHBondContact O-N 3.04Å; P489-S492 VanDerWaalsContact O-N 3.17Å; P489-S492 PolarHBondContact O-OG 3.39Å; P489-L665 WeakPolarHBondContact CD-O 3.23Å
490	S	82.2	Confident	91.1	Very high	105 Å²	105	26.4 Å²	26.4	73%	0.734	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134.5	173.8	-55.9	0	0	0	0	110.6
491	G	80.6	Confident	91.2	Very high	81 Å²	81	24.3 Å²	24.3	84%	0.835	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	-1.6	-175.2	0	0	0	0	0	116.2	P489 G493	P489-G491 PolarHBondContact O-N 3.43Å; G491-G493 PolarHBondContact O-N 3.25Å
492	S	84.6	Confident	91.2	Very high	16 Å²	16	23.3 Å²	23.3	11%	0.112	17%	0.169	C	C	.	.	S	Bend	trans	-68.4	8.6	176.7	54.7	0	0	0	0	116	P489 K494	P489-S492 VanDerWaalsContact O-CB 3.25Å; P489-S492 WeakPolarHBondContact O-CB 3.28Å; P489-S492 PolarHBondContact O-N 3.04Å; P489-S492 VanDerWaalsContact O-N 3.17Å; P489-S492 PolarHBondContact O-OG 3.39Å; S492-K494 VanDerWaalsContact OG-CG 3.28Å; S492-K494 WeakPolarHBondContact OG-CG 3.46Å
493	G	86.8	Confident	91.2	Very high	9 Å²	9	22.3 Å²	22.3	9%	0.093	16%	0.161	C	C	.	.	S	Bend	trans	83.3	7.4	178.2	0	0	0	0	0	116.1	F471 G491 S495 S496	F471-G493 VanDerWaalsContact CZ-O 3.23Å; F471-G493 WeakPolarHBondContact CZ-O 3.36Å; G491-G493 PolarHBondContact O-N 3.25Å; G493-S495 PolarHBondContact O-N 2.91Å; G493-S496 WeakPolarHBondContact O-CA 3.35Å; G493-S496 WeakPolarHBondContact O-CB 3.37Å; G493-S496 PolarHBondContact O-N 3.46Å; G493-S496 PolarHBondContact O-OG 3.36Å
494	K	91	Very high	91.2	Very high	12 Å²	12	22.7 Å²	22.7	5%	0.052	16%	0.163	C	C	.	.	H	α-helix	trans	-47.4	-56.1	-173	-45.9	-156	-68.5	-82.7	0	113.6	G488 S492 S496 L497 I649 L665	G488-K494 PolarHBondContact O-NZ 3.24Å; S492-K494 VanDerWaalsContact OG-CG 3.28Å; S492-K494 WeakPolarHBondContact OG-CG 3.46Å; K494-S496 PolarHBondContact O-N 2.7Å; K494-L497 WeakPolarHBondContact O-CB 3.38Å; K494-L497 PolarHBondContact O-N 3.43Å; K494-I649 VanDerWaalsContact C-CD1 3.45Å; K494-I649 HydrophobicContact CB-CD1 4.12Å; K494-I649 HydrophobicContact CB-CG1 4.09Å; K494-I649 HydrophobicContact CB-CG2 3.62Å; K494-I649 HydrophobicContact CD-CG2 3.93Å; K494-I649 HydrophobicContact CG-CG2 4.36Å; K494-I649 WeakPolarHBondContact O-CD1 3.46Å; K494-L665 HydrophobicContact CG-CD1 4.16Å
495	S	90.4	Very high	91.1	Very high	51 Å²	51	23.4 Å²	23.4	36%	0.357	17%	0.166	S	C	.	.	H	α-helix	trans	-65.6	-16.7	177.9	-46.5	0	0	0	0	114.5	G493 L497 V498 S499 D619	G493-S495 PolarHBondContact O-N 2.91Å; S495-L497 VanDerWaalsContact C-N 3.33Å; S495-V498 PolarHBondContact O-N 3.42Å; S495-S499 PolarHBondContact O-N 3.01Å; S495-S499 VanDerWaalsContact O-N 3.12Å; S495-S499 PolarHBondContact O-OG 2.84Å; S495-D619 WeakPolarHBondContact CB-OD2 3.25Å; S495-D619 PolarHBondContact OG-OD1 2.79Å; S495-D619 PolarHBondContact OG-OD2 3.3Å
496	S	93.6	Very high	91.1	Very high	7 Å²	7	25.5 Å²	25.5	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-71.2	-27.3	172.1	-48.1	0	0	0	0	111.8	Y462 G493 K494 V498 S499 L500	Y462-S496 WeakPolarHBondContact CE2-OG 3.37Å; Y462-S496 WeakPolarHBondContact OH-CB 3.49Å; Y462-S496 PolarHBondContact OH-OG 2.9Å; G493-S496 WeakPolarHBondContact O-CA 3.35Å; G493-S496 WeakPolarHBondContact O-CB 3.37Å; G493-S496 PolarHBondContact O-N 3.46Å; G493-S496 PolarHBondContact O-OG 3.36Å; K494-S496 PolarHBondContact O-N 2.7Å; S496-V498 VanDerWaalsContact C-N 3.34Å; S496-V498 PolarHBondContact O-N 3.02Å; S496-S499 WeakPolarHBondContact O-CB 3.34Å; S496-S499 PolarHBondContact O-N 2.97Å; S496-L500 WeakPolarHBondContact O-CG 3.15Å; S496-L500 PolarHBondContact O-N 3.42Å
497	L	94.4	Very high	91.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-44.7	170.2	-63	-178.9	0	0	0	111.3	F455 F471 L474 L476 V486 K494 S495 S499 L500 L501 M647 L665	F455-L497 HydrophobicContact CD1-CD2 4.26Å; F455-L497 HydrophobicContact CE1-CD2 3.65Å; F455-L497 HydrophobicContact CZ-CB 4.18Å; F455-L497 HydrophobicContact CZ-CD2 3.82Å; F455-L497 HydrophobicContact CZ-CG 4.49Å; F471-L497 HydrophobicContact CE1-CD2 4.23Å; F471-L497 HydrophobicContact CE2-CD2 3.78Å; F471-L497 HydrophobicContact CE2-CG 4.44Å; F471-L497 HydrophobicContact CZ-CD2 3.49Å; F471-L497 VanDerWaalsContact CZ-CD2 3.49Å; F471-L497 HydrophobicContact CZ-CG 3.85Å; L474-L497 HydrophobicContact CD1-CD2 4.05Å; L474-L497 HydrophobicContact CD2-CD2 4.35Å; L476-L497 HydrophobicContact CD2-CD1 4.02Å; V486-L497 HydrophobicContact CG1-CD1 3.96Å; V486-L497 HydrophobicContact CG2-CD1 4.13Å; K494-L497 WeakPolarHBondContact O-CB 3.38Å; K494-L497 PolarHBondContact O-N 3.43Å; S495-L497 VanDerWaalsContact C-N 3.33Å; L497-S499 VanDerWaalsContact C-N 3.32Å; L497-S499 PolarHBondContact O-N 3.42Å; L497-L500 PolarHBondContact O-N 3.48Å; L497-L501 WeakPolarHBondContact O-CB 3.48Å; L497-L501 WeakPolarHBondContact O-CG 3.34Å; L497-L501 PolarHBondContact O-N 3.39Å; L497-M647 HydrophobicContact CB-CE 3.72Å; L497-M647 HydrophobicContact CB-SD 4.26Å; L497-M647 HydrophobicContact CD1-CE 4.34Å; L497-M647 HydrophobicContact CD1-SD 4.12Å; L497-L665 HydrophobicContact CD1-CD1 4.07Å; L497-L665 HydrophobicContact CG-CD1 4.49Å
498	V	94.2	Very high	91.3	Very high	12 Å²	12	30.2 Å²	30.2	7%	0.073	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-40.6	176.8	178.2	0	0	0	0	110.8	S495 S496 L500 L502 T533 L617 M647 I649	S495-V498 PolarHBondContact O-N 3.42Å; S496-V498 VanDerWaalsContact C-N 3.34Å; S496-V498 PolarHBondContact O-N 3.02Å; V498-L500 VanDerWaalsContact C-N 3.34Å; V498-L500 PolarHBondContact O-N 3.08Å; V498-L502 HydrophobicContact CG1-CD1 4.27Å; V498-L502 WeakPolarHBondContact O-CB 3.37Å; V498-L502 WeakPolarHBondContact O-CG 3.45Å; V498-L502 PolarHBondContact O-N 3.27Å; V498-L502 VanDerWaalsContact O-N 3.09Å; V498-T533 HydrophobicContact CG1-CG2 4.31Å; V498-L617 HydrophobicContact CB-CD1 4.41Å; V498-L617 HydrophobicContact CG1-CB 4.09Å; V498-L617 HydrophobicContact CG1-CD1 3.9Å; V498-L617 HydrophobicContact CG2-CB 4.15Å; V498-M647 HydrophobicContact CG2-CE 3.71Å; V498-I649 HydrophobicContact CG2-CD1 3.65Å
499	S	94.8	Very high	91.6	Very high	22 Å²	22	32 Å²	32	15%	0.154	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-38.9	176.8	-56.1	0	0	0	0	112.7	S495 S496 L497 L504	S495-S499 PolarHBondContact O-N 3.01Å; S495-S499 VanDerWaalsContact O-N 3.12Å; S495-S499 PolarHBondContact O-OG 2.84Å; S496-S499 WeakPolarHBondContact O-CB 3.34Å; S496-S499 PolarHBondContact O-N 2.97Å; L497-S499 VanDerWaalsContact C-N 3.32Å; L497-S499 PolarHBondContact O-N 3.42Å; S499-L504 WeakPolarHBondContact O-CB 3.44Å; S499-L504 WeakPolarHBondContact O-CG 3.17Å; S499-L504 PolarHBondContact O-N 2.95Å
500	L	95.6	Very high	92.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-77.1	-40.2	178.5	-68.5	173.3	0	0	0	112.4	V458 F460 F471 S496 L497 V498 L502 R503 Y505 I512 I519	V458-L500 HydrophobicContact CG1-CD1 4.25Å; F460-L500 HydrophobicContact CB-CD1 4.33Å; F460-L500 HydrophobicContact CD1-CD1 4.28Å; F460-L500 HydrophobicContact CD1-CD2 4.49Å; F460-L500 HydrophobicContact CD2-CD2 4.01Å; F460-L500 HydrophobicContact CE2-CD2 4.08Å; F460-L500 HydrophobicContact CG-CD1 4.23Å; F460-L500 HydrophobicContact CG-CD2 4.23Å; F460-L500 HydrophobicContact CZ-CD2 4.35Å; F471-L500 HydrophobicContact CD2-CD1 3.92Å; F471-L500 HydrophobicContact CE2-CD1 3.81Å; S496-L500 WeakPolarHBondContact O-CG 3.15Å; S496-L500 PolarHBondContact O-N 3.42Å; L497-L500 PolarHBondContact O-N 3.48Å; V498-L500 VanDerWaalsContact C-N 3.34Å; V498-L500 PolarHBondContact O-N 3.08Å; L500-L502 VanDerWaalsContact C-N 3.33Å; L500-L502 PolarHBondContact O-N 3.49Å; L500-R503 VanDerWaalsContact O-CA 3.3Å; L500-R503 WeakPolarHBondContact O-CA 3.41Å; L500-R503 PolarHBondContact O-N 2.95Å; L500-Y505 WeakPolarHBondContact CD2-O 3.46Å; L500-I512 HydrophobicContact CB-CD1 3.64Å; L500-I512 HydrophobicContact CD1-CD1 4.18Å; L500-I512 HydrophobicContact CG-CD1 4.38Å; L500-I519 VanDerWaalsContact O-CD1 3.23Å; L500-I519 WeakPolarHBondContact O-CD1 3.46Å
501	L	95.8	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-35	176.3	-75.4	167.3	0	0	0	113.1	L453 F455 L497 R503 I512 I531 L617 M647	L453-L501 HydrophobicContact CB-CD2 4.46Å; L453-L501 HydrophobicContact CD1-CD1 3.98Å; L453-L501 HydrophobicContact CD1-CD2 4.15Å; L453-L501 HydrophobicContact CD2-CD2 4.34Å; F455-L501 HydrophobicContact CE1-CG 4.45Å; F455-L501 HydrophobicContact CE2-CD1 4.22Å; F455-L501 HydrophobicContact CE2-CD2 4.11Å; F455-L501 HydrophobicContact CE2-CG 4.27Å; F455-L501 HydrophobicContact CZ-CD1 3.82Å; F455-L501 HydrophobicContact CZ-CD2 3.87Å; F455-L501 HydrophobicContact CZ-CG 3.64Å; L497-L501 WeakPolarHBondContact O-CB 3.48Å; L497-L501 WeakPolarHBondContact O-CG 3.34Å; L497-L501 PolarHBondContact O-N 3.39Å; L501-R503 PolarHBondContact O-N 3.43Å; L501-I512 HydrophobicContact CD2-CG2 3.96Å; L501-I531 WeakPolarHBondContact O-CD1 3.28Å; L501-L617 HydrophobicContact CB-CD1 3.87Å; L501-L617 HydrophobicContact CD1-CD1 4.16Å; L501-L617 HydrophobicContact CD1-CD2 3.8Å; L501-M647 HydrophobicContact CD1-CE 3.77Å; L501-M647 HydrophobicContact CD1-SD 3.76Å
502	L	94.8	Very high	93.7	Very high	28 Å²	28	24.1 Å²	24.1	15%	0.147	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-2.2	169.5	-72.7	178.1	0	0	0	113.5	V498 L500 L504 R528 I531 T533 L617	V498-L502 HydrophobicContact CG1-CD1 4.27Å; V498-L502 WeakPolarHBondContact O-CB 3.37Å; V498-L502 WeakPolarHBondContact O-CG 3.45Å; V498-L502 PolarHBondContact O-N 3.27Å; V498-L502 VanDerWaalsContact O-N 3.09Å; L500-L502 VanDerWaalsContact C-N 3.33Å; L500-L502 PolarHBondContact O-N 3.49Å; L502-L504 VanDerWaalsContact C-N 3.3Å; L502-L504 HydrophobicContact CB-CD1 4.42Å; L502-L504 HydrophobicContact CB-CD2 4.03Å; L502-L504 HydrophobicContact CB-CG 3.82Å; L502-L504 HydrophobicContact CD1-CD1 4.24Å; L502-L504 HydrophobicContact CD1-CG 4.48Å; L502-L504 PolarHBondContact O-N 3.25Å; L502-R528 HydrophobicContact CD2-CG 4.42Å; L502-R528 PolarHBondContact O-NE 3.38Å; L502-I531 HydrophobicContact CD2-CB 4.19Å; L502-I531 HydrophobicContact CD2-CG2 3.72Å; L502-T533 HydrophobicContact CD1-CG2 3.9Å; L502-T533 HydrophobicContact CD2-CG2 3.93Å; L502-T533 HydrophobicContact CG-CG2 4.19Å; L502-L617 HydrophobicContact CG-CD1 4.41Å
503	R	94.8	Very high	94.2	Very high	14 Å²	14	23.9 Å²	23.9	5%	0.053	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	49.5	-171.9	-158.3	-175.7	172.7	-171.4	-2.5	112.2	L500 L501 Y505 D506 I519 R520 L527 R528	L500-R503 VanDerWaalsContact O-CA 3.3Å; L500-R503 WeakPolarHBondContact O-CA 3.41Å; L500-R503 PolarHBondContact O-N 2.95Å; L501-R503 PolarHBondContact O-N 3.43Å; R503-Y505 VanDerWaalsContact C-N 3.29Å; R503-D506 WeakPolarHBondContact CD-OD1 3.28Å; R503-D506 WeakPolarHBondContact CG-OD1 3.17Å; R503-D506 IonicContact CZ-OD1 3.32Å; R503-D506 IonicContact CZ-OD2 2.74Å; R503-D506 IonicContact NE-OD1 2.67Å; R503-D506 PolarHBondContact NE-OD1 2.81Å; R503-D506 IonicContact NE-OD2 2.65Å; R503-D506 PolarHBondContact NE-OD2 3.05Å; R503-D506 IonicContact NH2-OD1 3.02Å; R503-D506 IonicContact NH2-OD2 2.69Å; R503-D506 PolarHBondContact NH2-OD2 3.07Å; R503-I519 HydrophobicContact CB-CD1 4.22Å; R503-I519 WeakPolarHBondContact CD-O 3.34Å; R503-I519 HydrophobicContact CG-CD1 4.28Å; R503-I519 PolarHBondContact NH1-O 2.67Å; R503-R520 VanDerWaalsContact CZ-CA 3.44Å; R503-R520 PolarHBondContact NH1-O 3.44Å; R503-L527 HydrophobicContact CB-CD2 3.88Å; R503-R528 PolarHBondContact O-NH2 3.4Å
504	L	94.4	Very high	94.7	Very high	43 Å²	43	23.6 Å²	23.6	23%	0.225	15%	0.146	C	C	.	.	S	Bend	trans	-78.4	-23.5	171.9	-56.9	-173.5	0	0	0	111.5	V221 S499 L502	V221-L504 HydrophobicContact CB-CB 4.33Å; V221-L504 HydrophobicContact CG2-CB 3.78Å; V221-L504 HydrophobicContact CG2-CD1 4.41Å; V221-L504 HydrophobicContact CG2-CD2 3.97Å; V221-L504 HydrophobicContact CG2-CG 4.25Å; S499-L504 WeakPolarHBondContact O-CB 3.44Å; S499-L504 WeakPolarHBondContact O-CG 3.17Å; S499-L504 PolarHBondContact O-N 2.95Å; L502-L504 VanDerWaalsContact C-N 3.3Å; L502-L504 HydrophobicContact CB-CD1 4.42Å; L502-L504 HydrophobicContact CB-CD2 4.03Å; L502-L504 HydrophobicContact CB-CG 3.82Å; L502-L504 HydrophobicContact CD1-CD1 4.24Å; L502-L504 HydrophobicContact CD1-CG 4.48Å; L502-L504 PolarHBondContact O-N 3.25Å
505	Y	94.6	Very high	94.8	Very high	19 Å²	19	24.3 Å²	24.3	8%	0.075	15%	0.151	C	C	.	.	S	Bend	trans	-141.1	149.2	170.9	-44.6	-90	0	0	0	106.9	V221 A222 D225 F460 Y462 P463 L500 R503	V221-Y505 HydrophobicContact CB-CE1 4.26Å; V221-Y505 VanDerWaalsContact CG1-OH 3.31Å; V221-Y505 WeakPolarHBondContact CG1-OH 3.46Å; A222-Y505 HydrophobicContact CB-CD1 4.12Å; A222-Y505 HydrophobicContact CB-CE1 4.06Å; D225-Y505 PolarHBondContact OD2-OH 3.47Å; F460-Y505 HydrophobicContact CE2-CG 4.18Å; F460-Y505 HydrophobicContact CZ-CD1 4.46Å; F460-Y505 HydrophobicContact CZ-CD2 4.1Å; F460-Y505 AromaticContact CZ-CG 3.9Å; F460-Y505 HydrophobicContact CZ-CG 3.9Å; Y462-Y505 HydrophobicContact CD1-CE1 4.35Å; Y462-Y505 HydrophobicContact CD1-CE2 4.34Å; Y462-Y505 HydrophobicContact CE1-CD2 4.41Å; Y462-Y505 AromaticContact CE1-CE2 3.79Å; Y462-Y505 HydrophobicContact CE1-CE2 3.79Å; Y462-Y505 AromaticContact CE1-CZ 3.9Å; P463-Y505 HydrophobicContact CG-CD1 4.07Å; L500-Y505 WeakPolarHBondContact CD2-O 3.46Å; R503-Y505 VanDerWaalsContact C-N 3.29Å
506	D	93.8	Very high	94.9	Very high	45 Å²	45	24.9 Å²	24.9	24%	0.241	17%	0.165	C	C	.	.			trans	-89.7	151.5	163.8	-76.2	-19	0	0	0	109.2	R503	R503-D506 WeakPolarHBondContact CD-OD1 3.28Å; R503-D506 WeakPolarHBondContact CG-OD1 3.17Å; R503-D506 IonicContact CZ-OD1 3.32Å; R503-D506 IonicContact CZ-OD2 2.74Å; R503-D506 IonicContact NE-OD1 2.67Å; R503-D506 PolarHBondContact NE-OD1 2.81Å; R503-D506 IonicContact NE-OD2 2.65Å; R503-D506 PolarHBondContact NE-OD2 3.05Å; R503-D506 IonicContact NH2-OD1 3.02Å; R503-D506 IonicContact NH2-OD2 2.69Å; R503-D506 PolarHBondContact NH2-OD2 3.07Å
507	P	94.7	Very high	94.9	Very high	15 Å²	15	27.7 Å²	27.7	10%	0.097	18%	0.177	C	C	.	.			trans	-74.1	149.2	-179.9	30.8	-35.5	0	0	0	112.4	V458 A509	V458-P507 HydrophobicContact CG1-CB 3.97Å; P507-A509 VanDerWaalsContact C-N 3.28Å; P507-A509 PolarHBondContact O-N 3.14Å
508	D	93.6	Very high	95	Very high	85 Å²	85	28.8 Å²	28.8	46%	0.455	18%	0.183	S	C	.	.	S	Bend	trans	-67	-30	177.2	-63.7	-85.8	0	0	0	111.7	S459 F460 S461 K466	S459-D508 PolarHBondContact O-N 3.08Å; F460-D508 WeakPolarHBondContact CA-OD2 3.25Å; S461-D508 PolarHBondContact N-OD2 3.32Å; K466-D508 IonicContact NZ-OD1 3.57Å; K466-D508 PolarHBondContact NZ-OD1 2.97Å
509	A	94.8	Very high	95	Very high	51 Å²	51	28.3 Å²	28.3	42%	0.421	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	162.2	171.6	0	0	0	0	0	112	V458 S459 P507	V458-A509 WeakPolarHBondContact CA-O 3.33Å; S459-A509 PolarHBondContact N-O 3.02Å; S459-A509 PolarHBondContact O-N 3.3Å; P507-A509 VanDerWaalsContact C-N 3.28Å; P507-A509 PolarHBondContact O-N 3.14Å
510	G	95.8	Very high	95	Very high	26 Å²	26	31.9 Å²	31.9	27%	0.268	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	87	-171.6	-174	0	0	0	0	0	113	S456	S456-G510 CarbonylContact O-C 3.58Å; S456-G510 WeakPolarHBondContact O-CA 3.35Å
511	T	96.9	Very high	94.9	Very high	51 Å²	51	36.6 Å²	36.6	31%	0.313	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.1	178.8	62.7	0	0	0	0	111.1	S456 V458 D518	S456-T511 WeakPolarHBondContact CB-OG1 3.17Å; S456-T511 PolarHBondContact N-O 2.85Å; S456-T511 PolarHBondContact O-N 3.31Å; V458-T511 WeakPolarHBondContact CG2-O 3.35Å; T511-D518 WeakPolarHBondContact CB-OD2 3.45Å; T511-D518 WeakPolarHBondContact CG2-OD2 3.4Å
512	I	97.6	Very high	94.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.6	171.2	-59.9	173.9	0	0	0	106.8	E454 F455 V458 L500 L501 D518 I519	E454-I512 CarbonylContact O-C 3.55Å; E454-I512 WeakPolarHBondContact O-CA 3.49Å; F455-I512 HydrophobicContact CD1-CD1 3.79Å; F455-I512 HydrophobicContact CD1-CG1 3.75Å; F455-I512 HydrophobicContact CD1-CG2 4.41Å; F455-I512 HydrophobicContact CE1-CD1 3.82Å; F455-I512 HydrophobicContact CE1-CG1 4.22Å; F455-I512 HydrophobicContact CE1-CG2 4.43Å; F455-I512 HydrophobicContact CG-CG1 4.4Å; V458-I512 HydrophobicContact CG1-CD1 4.48Å; V458-I512 HydrophobicContact CG2-CD1 4.37Å; V458-I512 HydrophobicContact CG2-CG1 3.72Å; L500-I512 HydrophobicContact CB-CD1 3.64Å; L500-I512 HydrophobicContact CD1-CD1 4.18Å; L500-I512 HydrophobicContact CG-CD1 4.38Å; L501-I512 HydrophobicContact CD2-CG2 3.96Å; I512-D518 WeakPolarHBondContact O-CA 3.34Å; I512-I519 HydrophobicContact CB-CD1 3.84Å; I512-I519 HydrophobicContact CB-CG1 4.1Å; I512-I519 HydrophobicContact CD1-CD1 4.36Å; I512-I519 HydrophobicContact CG2-CD1 3.87Å; I512-I519 HydrophobicContact CG2-CG1 4.38Å; I512-I519 HydrophobicContact CG2-CG2 4.29Å; I512-I519 PolarHBondContact O-N 3.42Å
513	S	96.7	Very high	94.7	Very high	10 Å²	10	35.7 Å²	35.7	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.8	-172.8	34.4	0	0	0	0	112.1	E454 H517	E454-S513 WeakPolarHBondContact CB-OG 3.34Å; E454-S513 PolarHBondContact N-O 2.99Å; E454-S513 PolarHBondContact O-N 3.3Å; E454-S513 PolarHBondContact OE2-OG 3.17Å; S513-H517 CarbonylContact C-O 3.51Å; S513-H517 WeakPolarHBondContact CA-O 3.38Å
514	I	95.7	Very high	94.6	Very high	3 Å²	3	35 Å²	35	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123	167.1	-59.3	-177.5	0	0	0	107.5	L449 Q452 L453 G516 H517 I519 L527 I531 I615	L449-I514 HydrophobicContact CD1-CG2 4Å; Q452-I514 VanDerWaalsContact O-CA 3.31Å; Q452-I514 WeakPolarHBondContact O-CA 3.43Å; L453-I514 HydrophobicContact CD2-CD1 4.12Å; L453-I514 HydrophobicContact CD2-CG1 3.87Å; L453-I514 HydrophobicContact CD2-CG2 4.49Å; I514-G516 PolarHBondContact O-N 3.02Å; I514-G516 VanDerWaalsContact O-N 3.12Å; I514-H517 PolarHBondContact N-O 3.28Å; I514-H517 PolarHBondContact O-N 3.01Å; I514-I519 HydrophobicContact CD1-CG2 4Å; I514-I519 HydrophobicContact CG1-CG2 3.89Å; I514-L527 HydrophobicContact CD1-CD1 3.42Å; I514-L527 VanDerWaalsContact CD1-CD1 3.42Å; I514-I531 HydrophobicContact CD1-CD1 4.31Å; I514-I615 HydrophobicContact CD1-CD1 4.02Å; I514-I615 HydrophobicContact CG2-CD1 4.05Å
515	D	93.6	Very high	94.5	Very high	28 Å²	28	39 Å²	39	15%	0.15	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	42.8	-176.4	-58.6	-49.8	0	0	0	113	L449 K450 G451 Q452 H517	L449-D515 WeakPolarHBondContact CA-OD2 3.41Å; K450-D515 WeakPolarHBondContact CB-OD1 3.35Å; K450-D515 PolarHBondContact N-OD2 3.21Å; G451-D515 PolarHBondContact N-OD1 2.65Å; G451-D515 VanDerWaalsContact N-OD1 3.11Å; G451-D515 PolarHBondContact N-OD2 2.87Å; Q452-D515 WeakPolarHBondContact CB-OD1 3.21Å; Q452-D515 PolarHBondContact N-OD1 3.41Å; Q452-D515 PolarHBondContact O-N 3.46Å; D515-H517 VanDerWaalsContact C-N 3.34Å; D515-H517 PolarHBondContact O-N 3.08Å; D515-H517 PolarHBondContact O-ND1 3.13Å
516	G	92.3	Very high	94.3	Very high	63 Å²	63	39.6 Å²	39.6	65%	0.649	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	-3.7	180	0	0	0	0	0	116.5	I514	I514-G516 PolarHBondContact O-N 3.02Å; I514-G516 VanDerWaalsContact O-N 3.12Å
517	H	94.6	Very high	94.4	Very high	66 Å²	66	37.5 Å²	37.5	31%	0.306	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.2	-179.9	-59.9	74.6	0	0	0	110.6	S513 I514 D515 I519 L522	S513-H517 CarbonylContact C-O 3.51Å; S513-H517 WeakPolarHBondContact CA-O 3.38Å; I514-H517 PolarHBondContact N-O 3.28Å; I514-H517 PolarHBondContact O-N 3.01Å; D515-H517 VanDerWaalsContact C-N 3.34Å; D515-H517 PolarHBondContact O-N 3.08Å; D515-H517 PolarHBondContact O-ND1 3.13Å; H517-I519 PolarHBondContact O-N 2.95Å; H517-L522 HydrophobicContact CB-CD2 4.27Å
518	D	96	Very high	94.3	Very high	23 Å²	23	39.5 Å²	39.5	12%	0.123	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.4	178.4	-166.9	-52.6	0	0	0	110.6	T511 I512 R520 D521	T511-D518 WeakPolarHBondContact CB-OD2 3.45Å; T511-D518 WeakPolarHBondContact CG2-OD2 3.4Å; I512-D518 WeakPolarHBondContact O-CA 3.34Å; D518-R520 PolarHBondContact O-N 2.94Å; D518-R520 WeakPolarHBondContact OD1-CB 3.17Å; D518-R520 VanDerWaalsContact OD1-CG 3.26Å; D518-R520 WeakPolarHBondContact OD1-CG 3.25Å; D518-R520 IonicContact OD1-CZ 3.89Å; D518-R520 PolarHBondContact OD1-N 3.36Å; D518-R520 IonicContact OD1-NE 2.97Å; D518-R520 PolarHBondContact OD1-NE 2.94Å; D518-R520 IonicContact OD1-NH2 3.92Å; D518-R520 IonicContact OD2-CZ 3.37Å; D518-R520 IonicContact OD2-NE 3.22Å; D518-R520 PolarHBondContact OD2-NE 3.31Å; D518-R520 IonicContact OD2-NH2 2.7Å; D518-R520 PolarHBondContact OD2-NH2 3.38Å; D518-D521 PolarHBondContact O-N 3.02Å
519	I	95.1	Very high	94.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.7	179	65.8	174.3	0	0	0	113	L500 R503 I512 I514 H517 L527	L500-I519 VanDerWaalsContact O-CD1 3.23Å; L500-I519 WeakPolarHBondContact O-CD1 3.46Å; R503-I519 HydrophobicContact CB-CD1 4.22Å; R503-I519 WeakPolarHBondContact CD-O 3.34Å; R503-I519 HydrophobicContact CG-CD1 4.28Å; R503-I519 PolarHBondContact NH1-O 2.67Å; I512-I519 HydrophobicContact CB-CD1 3.84Å; I512-I519 HydrophobicContact CB-CG1 4.1Å; I512-I519 HydrophobicContact CD1-CD1 4.36Å; I512-I519 HydrophobicContact CG2-CD1 3.87Å; I512-I519 HydrophobicContact CG2-CG1 4.38Å; I512-I519 HydrophobicContact CG2-CG2 4.29Å; I512-I519 PolarHBondContact O-N 3.42Å; I514-I519 HydrophobicContact CD1-CG2 4Å; I514-I519 HydrophobicContact CG1-CG2 3.89Å; H517-I519 PolarHBondContact O-N 2.95Å; I519-L527 HydrophobicContact CB-CD2 4.04Å; I519-L527 HydrophobicContact CG2-CD1 4.26Å; I519-L527 HydrophobicContact CG2-CD2 4.37Å
520	R	93.8	Very high	94.1	Very high	98 Å²	98	37.2 Å²	37.2	37%	0.37	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-30.7	177	-65.5	175.2	-63.2	166.3	8.8	113.4	R503 D518	R503-R520 VanDerWaalsContact CZ-CA 3.44Å; R503-R520 PolarHBondContact NH1-O 3.44Å; D518-R520 PolarHBondContact O-N 2.94Å; D518-R520 WeakPolarHBondContact OD1-CB 3.17Å; D518-R520 VanDerWaalsContact OD1-CG 3.26Å; D518-R520 WeakPolarHBondContact OD1-CG 3.25Å; D518-R520 IonicContact OD1-CZ 3.89Å; D518-R520 PolarHBondContact OD1-N 3.36Å; D518-R520 IonicContact OD1-NE 2.97Å; D518-R520 PolarHBondContact OD1-NE 2.94Å; D518-R520 IonicContact OD1-NH2 3.92Å; D518-R520 IonicContact OD2-CZ 3.37Å; D518-R520 IonicContact OD2-NE 3.22Å; D518-R520 PolarHBondContact OD2-NE 3.31Å; D518-R520 IonicContact OD2-NH2 2.7Å; D518-R520 PolarHBondContact OD2-NH2 3.38Å
521	D	93.3	Very high	94.1	Very high	99 Å²	99	36 Å²	36	53%	0.529	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-21.9	176.6	-60.5	-39	0	0	0	112.2	G441 L442 D518	G441-D521 CarbonylContact C-O 3.54Å; G441-D521 WeakPolarHBondContact CA-O 3.45Å; L442-D521 HydrophobicContact CD1-CB 4.29Å; L442-D521 PolarHBondContact N-O 3.41Å; D518-D521 PolarHBondContact O-N 3.02Å
522	L	93.4	Very high	94	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-78.5	143.5	179.5	-61.1	178.5	0	0	0	112.4	L442 L444 H517 P524 W526 L527	L442-L522 HydrophobicContact CB-CD2 4.3Å; L444-L522 HydrophobicContact CD1-CD2 4.15Å; L444-L522 HydrophobicContact CD2-CD2 3.87Å; L444-L522 HydrophobicContact CG-CD2 3.78Å; H517-L522 HydrophobicContact CB-CD2 4.27Å; L522-P524 VanDerWaalsContact O-CD 3.29Å; L522-P524 WeakPolarHBondContact O-CD 3.47Å; L522-W526 HydrophobicContact CD1-CZ3 4.28Å; L522-W526 HydrophobicContact CD2-CZ3 4.48Å; L522-L527 HydrophobicContact CD1-CD1 4.44Å
523	N	93.8	Very high	93.9	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.043	18%	0.181	C	C	.	.			trans	-61.4	119.3	173.6	175.5	-54.6	0	0	0	110.5	N439 E440 L442 I443 Y525 W526 L527	N439-N523 VanDerWaalsContact C-ND2 3.32Å; N439-N523 PolarHBondContact O-ND2 2.86Å; N439-N523 PolarHBondContact OD1-ND2 2.86Å; N439-N523 PolarHBondContact OD1-OD1 3.46Å; E440-N523 WeakPolarHBondContact O-CA 3.5Å; L442-N523 WeakPolarHBondContact O-CB 3.35Å; L442-N523 PolarHBondContact O-N 3.21Å; I443-N523 HydrophobicContact CG1-CB 4.11Å; N523-Y525 VanDerWaalsContact C-N 3.3Å; N523-Y525 PolarHBondContact O-N 3.43Å; N523-Y525 WeakPolarHBondContact OD1-CA 3.41Å; N523-Y525 WeakPolarHBondContact OD1-CB 3.44Å; N523-Y525 PolarHBondContact OD1-N 2.68Å; N523-W526 HydrophobicContact CB-CB 4.07Å; N523-W526 PolarHBondContact O-N 2.84Å; N523-W526 PolarHBondContact OD1-N 3.24Å; N523-L527 VanDerWaalsContact O-CB 3.32Å; N523-L527 WeakPolarHBondContact O-CB 3.48Å; N523-L527 PolarHBondContact O-N 2.93Å
524	P	92.9	Very high	93.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-26.6	-173.9	-27.8	38.5	0	0	0	115.1	P437 E440 L522 R528	P437-P524 WeakPolarHBondContact O-CG 3.5Å; E440-P524 WeakPolarHBondContact O-CD 3.45Å; L522-P524 VanDerWaalsContact O-CD 3.29Å; L522-P524 WeakPolarHBondContact O-CD 3.47Å; P524-R528 VanDerWaalsContact O-CB 3.27Å; P524-R528 WeakPolarHBondContact O-CB 3.44Å; P524-R528 VanDerWaalsContact O-CD 3.28Å; P524-R528 WeakPolarHBondContact O-CD 3.41Å; P524-R528 WeakPolarHBondContact O-CG 3.39Å; P524-R528 PolarHBondContact O-N 3.48Å
525	Y	90.7	Very high	93.4	Very high	126 Å²	126	38.7 Å²	38.7	49%	0.494	20%	0.197	S	C	.	.	H	α-helix	trans	-71.8	-46.2	174.5	-170.9	-101.9	0	0	0	110.9	L438 N523 R528 N529	L438-Y525 PolarHBondContact O-N 2.9Å; N523-Y525 VanDerWaalsContact C-N 3.3Å; N523-Y525 PolarHBondContact O-N 3.43Å; N523-Y525 WeakPolarHBondContact OD1-CA 3.41Å; N523-Y525 WeakPolarHBondContact OD1-CB 3.44Å; N523-Y525 PolarHBondContact OD1-N 2.68Å; Y525-R528 PolarHBondContact O-N 3.33Å; Y525-N529 VanDerWaalsContact CE1-ND2 3.31Å; Y525-N529 WeakPolarHBondContact CE1-ND2 3.39Å; Y525-N529 WeakPolarHBondContact O-CB 3.39Å; Y525-N529 PolarHBondContact O-N 3.17Å; Y525-N529 PolarHBondContact O-ND2 2.89Å; Y525-N529 PolarHBondContact O-OD1 3.46Å
526	W	92.3	Very high	93	Very high	32 Å²	32	40.7 Å²	40.7	12%	0.121	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-45.7	173.9	178	92	0	0	0	112.2	I443 L444 L449 L522 N523 N529 H530	I443-W526 HydrophobicContact CG1-CB 4.09Å; I443-W526 HydrophobicContact CG1-CG 4.04Å; I443-W526 HydrophobicContact CG2-CG 4.26Å; L444-W526 HydrophobicContact CB-CH2 3.63Å; L444-W526 HydrophobicContact CB-CZ2 3.82Å; L444-W526 HydrophobicContact CB-CZ3 4.43Å; L444-W526 HydrophobicContact CD1-CH2 3.97Å; L444-W526 HydrophobicContact CD1-CZ3 4.37Å; L444-W526 HydrophobicContact CG-CH2 3.82Å; L444-W526 HydrophobicContact CG-CZ2 4.46Å; L444-W526 HydrophobicContact CG-CZ3 4.19Å; L449-W526 HydrophobicContact CD1-CH2 4.22Å; L449-W526 HydrophobicContact CD2-CH2 4.18Å; L449-W526 HydrophobicContact CD2-CZ2 4.19Å; L522-W526 HydrophobicContact CD1-CZ3 4.28Å; L522-W526 HydrophobicContact CD2-CZ3 4.48Å; N523-W526 HydrophobicContact CB-CB 4.07Å; N523-W526 PolarHBondContact O-N 2.84Å; N523-W526 PolarHBondContact OD1-N 3.24Å; W526-N529 PolarHBondContact O-N 3.3Å; W526-N529 VanDerWaalsContact O-N 3.16Å; W526-H530 AromaticContact CD1-CE1 3.61Å; W526-H530 AromaticContact CD1-ND1 3.98Å; W526-H530 AromaticContact CD2-ND1 3.75Å; W526-H530 AromaticContact CE2-CE1 3.43Å; W526-H530 VanDerWaalsContact CE2-CE1 3.43Å; W526-H530 AromaticContact CE2-ND1 3.47Å; W526-H530 AromaticContact CZ2-CE1 3.88Å; W526-H530 AromaticContact CZ2-ND1 3.82Å; W526-H530 AromaticContact NE1-CE1 3.16Å; W526-H530 PolarHBondContact NE1-CE1 3.18Å; W526-H530 AromaticContact NE1-ND1 3.66Å; W526-H530 PolarHBondContact O-N 3.41Å; W526-H530 PolarHBondContact O-ND1 3.14Å
527	L	94.1	Very high	92.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-54.6	-54.8	176.3	170.5	64.9	0	0	0	110.7	R503 I514 I519 L522 N523 N529 H530 I531	R503-L527 HydrophobicContact CB-CD2 3.88Å; I514-L527 HydrophobicContact CD1-CD1 3.42Å; I514-L527 VanDerWaalsContact CD1-CD1 3.42Å; I519-L527 HydrophobicContact CB-CD2 4.04Å; I519-L527 HydrophobicContact CG2-CD1 4.26Å; I519-L527 HydrophobicContact CG2-CD2 4.37Å; L522-L527 HydrophobicContact CD1-CD1 4.44Å; N523-L527 VanDerWaalsContact O-CB 3.32Å; N523-L527 WeakPolarHBondContact O-CB 3.48Å; N523-L527 PolarHBondContact O-N 2.93Å; L527-N529 PolarHBondContact O-N 3.15Å; L527-H530 PolarHBondContact O-N 3.11Å; L527-H530 VanDerWaalsContact O-N 3.15Å; L527-I531 HydrophobicContact CD1-CD1 3.76Å; L527-I531 HydrophobicContact CG-CD1 4.16Å; L527-I531 PolarHBondContact O-N 3.27Å
528	R	93.8	Very high	92.3	Very high	56 Å²	56	43.2 Å²	43.2	21%	0.211	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-24.8	-179.9	-68.5	167.7	-168.2	151	2.5	112.3	L502 R503 P524 Y525 H530 K611	L502-R528 HydrophobicContact CD2-CG 4.42Å; L502-R528 PolarHBondContact O-NE 3.38Å; R503-R528 PolarHBondContact O-NH2 3.4Å; P524-R528 VanDerWaalsContact O-CB 3.27Å; P524-R528 WeakPolarHBondContact O-CB 3.44Å; P524-R528 VanDerWaalsContact O-CD 3.28Å; P524-R528 WeakPolarHBondContact O-CD 3.41Å; P524-R528 WeakPolarHBondContact O-CG 3.39Å; P524-R528 PolarHBondContact O-N 3.48Å; Y525-R528 PolarHBondContact O-N 3.33Å; R528-H530 VanDerWaalsContact C-N 3.34Å; R528-K611 VanDerWaalsContact O-CE 3.3Å; R528-K611 WeakPolarHBondContact O-CE 3.41Å; R528-K611 PolarHBondContact O-NZ 2.65Å
529	N	91.6	Very high	92.1	Very high	34 Å²	34	48 Å²	48	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-70.8	-28.5	174.6	-75	-9.6	0	0	0	112.9	Y525 W526 L527 K611	Y525-N529 VanDerWaalsContact CE1-ND2 3.31Å; Y525-N529 WeakPolarHBondContact CE1-ND2 3.39Å; Y525-N529 WeakPolarHBondContact O-CB 3.39Å; Y525-N529 PolarHBondContact O-N 3.17Å; Y525-N529 PolarHBondContact O-ND2 2.89Å; Y525-N529 PolarHBondContact O-OD1 3.46Å; W526-N529 PolarHBondContact O-N 3.3Å; W526-N529 VanDerWaalsContact O-N 3.16Å; L527-N529 PolarHBondContact O-N 3.15Å; N529-K611 WeakPolarHBondContact O-CE 3.47Å
530	H	92.9	Very high	92	Very high	55 Å²	55	48.8 Å²	48.8	26%	0.255	23%	0.23	S	C	.	.	H	α-helix	trans	-88.5	-8.7	178	-67.5	85.7	0	0	0	114.5	L449 W526 L527 R528 P613 K614 I615	L449-H530 HydrophobicContact CD2-CB 3.79Å; L449-H530 WeakPolarHBondContact CD2-CD2 3.43Å; W526-H530 AromaticContact CD1-CE1 3.61Å; W526-H530 AromaticContact CD1-ND1 3.98Å; W526-H530 AromaticContact CD2-ND1 3.75Å; W526-H530 AromaticContact CE2-CE1 3.43Å; W526-H530 VanDerWaalsContact CE2-CE1 3.43Å; W526-H530 AromaticContact CE2-ND1 3.47Å; W526-H530 AromaticContact CZ2-CE1 3.88Å; W526-H530 AromaticContact CZ2-ND1 3.82Å; W526-H530 AromaticContact NE1-CE1 3.16Å; W526-H530 PolarHBondContact NE1-CE1 3.18Å; W526-H530 AromaticContact NE1-ND1 3.66Å; W526-H530 PolarHBondContact O-N 3.41Å; W526-H530 PolarHBondContact O-ND1 3.14Å; L527-H530 PolarHBondContact O-N 3.11Å; L527-H530 VanDerWaalsContact O-N 3.15Å; R528-H530 VanDerWaalsContact C-N 3.34Å; H530-P613 VanDerWaalsContact O-CB 3.29Å; H530-P613 WeakPolarHBondContact O-CB 3.39Å; H530-K614 PolarHBondContact O-N 3.21Å; H530-K614 VanDerWaalsContact O-N 3.11Å; H530-I615 PolarHBondContact O-N 3.44Å
531	I	95.4	Very high	92.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.5	176.7	-59.5	171.8	0	0	0	110	L501 L502 I514 L527 T533 K611 I615 L617	L501-I531 WeakPolarHBondContact O-CD1 3.28Å; L502-I531 HydrophobicContact CD2-CB 4.19Å; L502-I531 HydrophobicContact CD2-CG2 3.72Å; I514-I531 HydrophobicContact CD1-CD1 4.31Å; L527-I531 HydrophobicContact CD1-CD1 3.76Å; L527-I531 HydrophobicContact CG-CD1 4.16Å; L527-I531 PolarHBondContact O-N 3.27Å; I531-T533 HydrophobicContact CG2-CG2 4.31Å; I531-K611 WeakPolarHBondContact O-CE 3.46Å; I531-K611 PolarHBondContact O-NZ 3.47Å; I531-I615 CarbonylContact C-O 3.25Å; I531-I615 WeakPolarHBondContact CA-O 3.44Å; I531-I615 HydrophobicContact CG1-CB 4.1Å; I531-I615 HydrophobicContact CG1-CD1 4.19Å; I531-I615 HydrophobicContact CG1-CG2 4.17Å; I531-I615 HydrophobicContact CG2-CG2 4.39Å; I531-L617 HydrophobicContact CG2-CD1 3.53Å; I531-L617 HydrophobicContact CG2-CG 3.72Å
532	G	94.9	Very high	92.1	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	145.9	167.9	0	0	0	0	0	111.2	P613 I615 L617	G532-P613 VanDerWaalsContact N-CB 3.29Å; G532-I615 PolarHBondContact N-O 3.41Å; G532-L617 PolarHBondContact O-N 2.8Å
533	T	94.4	Very high	92.1	Very high	42 Å²	42	48.4 Å²	48.4	26%	0.258	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.2	171.5	75.7	0	0	0	0	112.6	V498 L502 I531 N535 L617	V498-T533 HydrophobicContact CG1-CG2 4.31Å; L502-T533 HydrophobicContact CD1-CG2 3.9Å; L502-T533 HydrophobicContact CD2-CG2 3.93Å; L502-T533 HydrophobicContact CG-CG2 4.19Å; I531-T533 HydrophobicContact CG2-CG2 4.31Å; T533-N535 PolarHBondContact OG1-OD1 3.25Å; T533-L617 WeakPolarHBondContact CA-O 3.43Å; T533-L617 HydrophobicContact CG2-CB 3.96Å; T533-L617 HydrophobicContact CG2-CD1 4.18Å; T533-L617 HydrophobicContact CG2-CG 4.35Å
534	V	93.3	Very high	92.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111.2	164.4	-173.3	0	0	0	0	107.1	A604 I605 A608 L617 L618 D619 A621 L640	V534-A604 HydrophobicContact CG1-CB 4.36Å; V534-I605 HydrophobicContact CG1-CG1 4.3Å; V534-I605 HydrophobicContact CG2-CG1 4.18Å; V534-A608 HydrophobicContact CG2-CB 4.18Å; V534-L617 PolarHBondContact N-O 3.48Å; V534-L618 HydrophobicContact CB-CD2 3.66Å; V534-L618 HydrophobicContact CG2-CD2 3.68Å; V534-D619 PolarHBondContact O-N 3.11Å; V534-A621 HydrophobicContact CB-CB 4.4Å; V534-A621 HydrophobicContact CG1-CB 3.86Å; V534-L640 HydrophobicContact CG2-CD2 4.03Å
535	N	89.5	Confident	92.3	Very high	76 Å²	76	48.2 Å²	48.2	41%	0.406	24%	0.238	S	C	.	.			trans	-88.9	153.1	-175.7	-57.1	22.3	0	0	0	110.5	T533 E537 D619	T533-N535 PolarHBondContact OG1-OD1 3.25Å; N535-E537 PolarHBondContact O-N 2.74Å; N535-D619 CarbonylContact C-O 3.54Å
536	Q	84.8	Confident	92.6	Very high	70 Å²	70	46 Å²	46	33%	0.327	23%	0.231	S	C	.	.	S	Bend	trans	-49.4	-52.8	-179.4	-179.6	169.1	35.7	0	0	112.7	P538 Q601 D619 E620 S623	Q536-P538 WeakPolarHBondContact O-CD 3.35Å; Q536-Q601 PolarHBondContact O-NE2 3.29Å; Q536-D619 WeakPolarHBondContact CA-O 3.44Å; Q536-D619 WeakPolarHBondContact CB-O 3.43Å; Q536-D619 PolarHBondContact N-O 3.18Å; Q536-E620 HydrophobicContact CB-CB 4.27Å; Q536-E620 HydrophobicContact CG-CB 4.11Å; Q536-E620 PolarHBondContact NE2-OE2 3.36Å; Q536-S623 WeakPolarHBondContact CG-OG 3.34Å; Q536-S623 PolarHBondContact NE2-OG 3.35Å
537	E	85	Confident	92.7	Very high	169 Å²	169	48.7 Å²	48.7	79%	0.79	25%	0.245	S	C	*	.	S	Bend	trans	-104.8	105	168.1	-65	-164.4	165.1	0	0	109.9	N535 I539	N535-E537 PolarHBondContact O-N 2.74Å; E537-I539 PolarHBondContact O-N 3.01Å
538	P	88.4	Confident	92.8	Very high	14 Å²	14	48.7 Å²	48.7	9%	0.091	25%	0.245	C	C	.	.			trans	-78.2	127.2	-177.5	-11.9	26.3	0	0	0	112.5	Q536 K600 Q601 A604	Q536-P538 WeakPolarHBondContact O-CD 3.35Å; P538-K600 HydrophobicContact CB-CB 4.34Å; P538-K600 HydrophobicContact CG-CB 4.19Å; P538-Q601 HydrophobicContact CG-CB 4.21Å; P538-Q601 HydrophobicContact CG-CG 3.43Å; P538-Q601 VanDerWaalsContact CG-CG 3.43Å; P538-A604 HydrophobicContact CB-CB 3.66Å; P538-A604 HydrophobicContact CG-CB 4.15Å
539	I	91.1	Very high	92.8	Very high	122 Å²	122	46 Å²	46	63%	0.626	24%	0.235	S	C	*	.			trans	-83.2	126.2	177.9	-56.4	176.6	0	0	0	109.9	E537 R607	E537-I539 PolarHBondContact O-N 3.01Å; I539-R607 PolarHBondContact O-NH1 3.37Å
540	L	93.6	Very high	93	Very high	19 Å²	19	44.9 Å²	44.9	10%	0.099	23%	0.231	C	C	.	.			trans	-117.1	132.3	173.1	-56.9	-176.4	0	0	0	109.5	N548 V588 L595 K600 I603	L540-N548 VanDerWaalsContact CA-OD1 3.27Å; L540-N548 WeakPolarHBondContact CA-OD1 3.34Å; L540-N548 WeakPolarHBondContact CB-OD1 3.43Å; L540-V588 HydrophobicContact CB-CG2 4.43Å; L540-V588 HydrophobicContact CD1-CG2 4.3Å; L540-L595 HydrophobicContact CD1-CD1 3.74Å; L540-K600 HydrophobicContact CD1-CB 4.39Å; L540-K600 HydrophobicContact CD1-CG 4.01Å; L540-I603 HydrophobicContact CD1-CD1 4.2Å; L540-I603 HydrophobicContact CD1-CG2 4.42Å; L540-I603 HydrophobicContact CD2-CB 4.32Å; L540-I603 HydrophobicContact CD2-CG2 3.66Å
541	F	94.2	Very high	93.1	Very high	87 Å²	87	49.1 Å²	49.1	38%	0.382	25%	0.245	S	C	.	.			trans	-76	158.9	179.1	-60.5	-67	0	0	0	111.4	C543 N548 Y551	F541-C543 HydrophobicContact CB-CB 4.31Å; F541-C543 PolarHBondContact O-N 3.28Å; F541-N548 PolarHBondContact N-OD1 3.19Å; F541-N548 PolarHBondContact O-ND2 3.22Å; F541-Y551 HydrophobicContact CD2-CD2 4.41Å; F541-Y551 HydrophobicContact CD2-CE2 4.42Å; F541-Y551 AromaticContact CE2-CD1 3.95Å; F541-Y551 HydrophobicContact CE2-CD1 3.95Å; F541-Y551 HydrophobicContact CE2-CD2 4.14Å; F541-Y551 AromaticContact CE2-CE1 3.69Å; F541-Y551 HydrophobicContact CE2-CE1 3.69Å; F541-Y551 AromaticContact CE2-CE2 3.87Å; F541-Y551 HydrophobicContact CE2-CE2 3.87Å; F541-Y551 HydrophobicContact CE2-CG 4.18Å; F541-Y551 AromaticContact CE2-CZ 3.65Å; F541-Y551 HydrophobicContact CZ-CE1 4.25Å
542	S	94.2	Very high	92.9	Very high	55 Å²	55	49.4 Å²	49.4	39%	0.385	25%	0.248	S	C	.	.	S	Bend	trans	-74.3	61.2	177.2	-65.9	0	0	0	0	112.1	V588	S542-V588 WeakPolarHBondContact CA-O 3.46Å
543	C	93.6	Very high	92.6	Very high	47 Å²	47	50.3 Å²	50.3	32%	0.318	26%	0.256	S	S	.	.	S	Bend	trans	-138.6	174.6	-167.7	-77.9	0	0	0	0	109	F541 E547 V587 V588	F541-C543 HydrophobicContact CB-CB 4.31Å; F541-C543 PolarHBondContact O-N 3.28Å; C543-E547 HydrophobicContact CB-CB 3.98Å; C543-E547 WeakPolarHBondContact CB-OE2 3.48Å; C543-V587 WeakPolarHBondContact O-CA 3.37Å; C543-V588 PolarHBondContact O-N 2.87Å
544	S	95.3	Very high	92.1	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.028	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-67.1	165.4	173.6	71.3	0	0	0	0	112.6	K546 E547 N548 T586	S544-K546 WeakPolarHBondContact OG-CG 3.42Å; S544-E547 VanDerWaalsContact CB-OE1 3.31Å; S544-E547 WeakPolarHBondContact CB-OE1 3.33Å; S544-E547 PolarHBondContact N-OE2 3.25Å; S544-E547 PolarHBondContact O-N 3.46Å; S544-E547 WeakPolarHBondContact OG-CB 3.39Å; S544-E547 WeakPolarHBondContact OG-CG 3.46Å; S544-E547 PolarHBondContact OG-N 3.39Å; S544-E547 PolarHBondContact OG-OE1 2.94Å; S544-E547 PolarHBondContact OG-OE2 3.01Å; S544-N548 WeakPolarHBondContact O-CB 3.28Å; S544-N548 PolarHBondContact O-N 3.14Å; S544-N548 PolarHBondContact O-ND2 3.46Å; S544-T586 CarbonylContact C-O 3.58Å; S544-T586 WeakPolarHBondContact CA-O 3.42Å
545	I	96.4	Very high	91.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-39.8	174.1	-68.2	172.6	0	0	0	110.6	E547 N548 I549 I577 F580 F584 T586 V588 I603	I545-E547 PolarHBondContact O-N 3.3Å; I545-N548 PolarHBondContact O-N 3.49Å; I545-I549 HydrophobicContact CG2-CD1 3.92Å; I545-I549 WeakPolarHBondContact O-CG1 3.48Å; I545-I549 PolarHBondContact O-N 3.21Å; I545-I577 HydrophobicContact CD1-CG1 4.32Å; I545-I577 HydrophobicContact CD1-CG2 4.17Å; I545-I577 HydrophobicContact CG2-CD1 3.74Å; I545-I577 HydrophobicContact CG2-CG1 4.03Å; I545-I577 HydrophobicContact CG2-CG2 3.98Å; I545-F580 HydrophobicContact CD1-CD2 3.91Å; I545-F580 HydrophobicContact CD1-CE2 3.92Å; I545-F584 HydrophobicContact CG2-CD1 4.17Å; I545-F584 PolarHBondContact N-O 2.91Å; I545-F584 VanDerWaalsContact N-O 3.13Å; I545-T586 HydrophobicContact CD1-CG2 4.46Å; I545-T586 PolarHBondContact N-O 3.01Å; I545-V588 HydrophobicContact CD1-CG1 3.89Å; I545-V588 HydrophobicContact CG1-CG1 3.58Å; I545-V588 HydrophobicContact CG1-CG2 4.08Å; I545-I603 HydrophobicContact CD1-CD1 4.46Å; I545-I603 HydrophobicContact CG1-CD1 4.33Å; I545-I603 HydrophobicContact CG2-CD1 4.13Å; I545-I603 HydrophobicContact CG2-CG1 4.5Å
546	K	95.3	Very high	91.5	Very high	78 Å²	78	56.2 Å²	56.2	34%	0.339	29%	0.292	S	S	.	.	H	α-helix	trans	-58.5	-46.4	174	58.9	177.2	-165.3	-161.9	0	112	S544 N548 I549 A550 I564 F584 D585	S544-K546 WeakPolarHBondContact OG-CG 3.42Å; K546-N548 VanDerWaalsContact C-N 3.33Å; K546-N548 PolarHBondContact O-N 2.83Å; K546-I549 PolarHBondContact O-N 3.12Å; K546-A550 VanDerWaalsContact O-CB 3.28Å; K546-A550 WeakPolarHBondContact O-CB 3.39Å; K546-A550 PolarHBondContact O-N 3.06Å; K546-I564 HydrophobicContact CB-CD1 3.99Å; K546-I564 HydrophobicContact CB-CG2 4.39Å; K546-F584 HydrophobicContact CB-CB 4.19Å; K546-F584 PolarHBondContact N-O 3.27Å; K546-D585 WeakPolarHBondContact CD-OD1 3.41Å; K546-D585 WeakPolarHBondContact CE-OD1 3.5Å; K546-D585 IonicContact NZ-OD1 2.43Å; K546-D585 PolarHBondContact NZ-OD1 3.47Å
547	E	94.9	Very high	91.4	Very high	90 Å²	90	60.6 Å²	60.6	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-42.3	176.7	-76	142.2	-125.9	0	0	111	C543 S544 I545 I549 A550 Y551	C543-E547 HydrophobicContact CB-CB 3.98Å; C543-E547 WeakPolarHBondContact CB-OE2 3.48Å; S544-E547 VanDerWaalsContact CB-OE1 3.31Å; S544-E547 WeakPolarHBondContact CB-OE1 3.33Å; S544-E547 PolarHBondContact N-OE2 3.25Å; S544-E547 PolarHBondContact O-N 3.46Å; S544-E547 WeakPolarHBondContact OG-CB 3.39Å; S544-E547 WeakPolarHBondContact OG-CG 3.46Å; S544-E547 PolarHBondContact OG-N 3.39Å; S544-E547 PolarHBondContact OG-OE1 2.94Å; S544-E547 PolarHBondContact OG-OE2 3.01Å; I545-E547 PolarHBondContact O-N 3.3Å; E547-I549 VanDerWaalsContact C-N 3.25Å; E547-I549 PolarHBondContact O-N 3.41Å; E547-A550 PolarHBondContact O-N 3.24Å; E547-Y551 WeakPolarHBondContact O-CB 3.26Å; E547-Y551 PolarHBondContact O-N 2.9Å
548	N	95.5	Very high	91.4	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-24.4	177.5	-90.7	-82.5	0	0	0	114	L540 F541 S544 I545 K546 V588 I603 R607	L540-N548 VanDerWaalsContact CA-OD1 3.27Å; L540-N548 WeakPolarHBondContact CA-OD1 3.34Å; L540-N548 WeakPolarHBondContact CB-OD1 3.43Å; F541-N548 PolarHBondContact N-OD1 3.19Å; F541-N548 PolarHBondContact O-ND2 3.22Å; S544-N548 WeakPolarHBondContact O-CB 3.28Å; S544-N548 PolarHBondContact O-N 3.14Å; S544-N548 PolarHBondContact O-ND2 3.46Å; I545-N548 PolarHBondContact O-N 3.49Å; K546-N548 VanDerWaalsContact C-N 3.33Å; K546-N548 PolarHBondContact O-N 2.83Å; N548-V588 WeakPolarHBondContact ND2-CG2 3.42Å; N548-I603 HydrophobicContact CB-CG2 4.35Å; N548-R607 VanDerWaalsContact O-CZ 3.28Å; N548-R607 PolarHBondContact O-NE 3.07Å; N548-R607 PolarHBondContact O-NH2 3.35Å; N548-R607 PolarHBondContact OD1-NH2 3.45Å; N548-R607 VanDerWaalsContact OD1-NH2 3.09Å
549	I	95.8	Very high	91.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-87.7	-47	173.8	-64.9	169.5	0	0	0	110.1	I545 K546 E547 Y551 G552 I564 A568 I577 F584 I603 A606 L610	I545-I549 HydrophobicContact CG2-CD1 3.92Å; I545-I549 WeakPolarHBondContact O-CG1 3.48Å; I545-I549 PolarHBondContact O-N 3.21Å; K546-I549 PolarHBondContact O-N 3.12Å; E547-I549 VanDerWaalsContact C-N 3.25Å; E547-I549 PolarHBondContact O-N 3.41Å; I549-Y551 PolarHBondContact O-N 3.44Å; I549-Y551 VanDerWaalsContact O-N 3.16Å; I549-G552 PolarHBondContact O-N 3.28Å; I549-I564 HydrophobicContact CB-CG2 4.2Å; I549-I564 HydrophobicContact CD1-CG2 4.09Å; I549-I564 HydrophobicContact CG2-CG2 4.1Å; I549-A568 HydrophobicContact CD1-CB 4.43Å; I549-I577 HydrophobicContact CD1-CD1 4.25Å; I549-F584 HydrophobicContact CD1-CD1 4.41Å; I549-F584 HydrophobicContact CD1-CE1 4.06Å; I549-I603 HydrophobicContact CG1-CG2 4.05Å; I549-A606 HydrophobicContact CD1-CB 4.12Å; I549-A606 HydrophobicContact CG1-CB 4.1Å; I549-A606 HydrophobicContact CG2-CB 4.12Å; I549-L610 HydrophobicContact CG2-CD2 4.26Å; I549-L610 WeakPolarHBondContact O-CD2 3.41Å
550	A	95.4	Very high	91.6	Very high	11 Å²	11	54.2 Å²	54.2	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-56.6	-29.3	178.4	0	0	0	0	0	113.4	K546 E547 G552 A553 P556 I564	K546-A550 VanDerWaalsContact O-CB 3.28Å; K546-A550 WeakPolarHBondContact O-CB 3.39Å; K546-A550 PolarHBondContact O-N 3.06Å; E547-A550 PolarHBondContact O-N 3.24Å; A550-G552 PolarHBondContact O-N 2.9Å; A550-A553 WeakPolarHBondContact O-CB 3.42Å; A550-A553 PolarHBondContact O-N 2.94Å; A550-P556 HydrophobicContact CB-CB 4.39Å; A550-I564 HydrophobicContact CB-CD1 4.2Å
551	Y	94.6	Very high	91.6	Very high	143 Å²	143	59 Å²	59	56%	0.561	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-10.9	171.8	-159.3	-91.1	0	0	0	114.6	F541 E547 I549	F541-Y551 HydrophobicContact CD2-CD2 4.41Å; F541-Y551 HydrophobicContact CD2-CE2 4.42Å; F541-Y551 AromaticContact CE2-CD1 3.95Å; F541-Y551 HydrophobicContact CE2-CD1 3.95Å; F541-Y551 HydrophobicContact CE2-CD2 4.14Å; F541-Y551 AromaticContact CE2-CE1 3.69Å; F541-Y551 HydrophobicContact CE2-CE1 3.69Å; F541-Y551 AromaticContact CE2-CE2 3.87Å; F541-Y551 HydrophobicContact CE2-CE2 3.87Å; F541-Y551 HydrophobicContact CE2-CG 4.18Å; F541-Y551 AromaticContact CE2-CZ 3.65Å; F541-Y551 HydrophobicContact CZ-CE1 4.25Å; E547-Y551 WeakPolarHBondContact O-CB 3.26Å; E547-Y551 PolarHBondContact O-N 2.9Å; I549-Y551 PolarHBondContact O-N 3.44Å; I549-Y551 VanDerWaalsContact O-N 3.16Å
552	G	90.8	Very high	91.5	Very high	7 Å²	7	60.4 Å²	60.4	7%	0.072	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-25.2	171.7	0	0	0	0	0	114.6	I549 A550 R607 K611	I549-G552 PolarHBondContact O-N 3.28Å; A550-G552 PolarHBondContact O-N 2.9Å; G552-R607 WeakPolarHBondContact CA-O 3.32Å; G552-K611 WeakPolarHBondContact O-CA 3.43Å; G552-K611 WeakPolarHBondContact O-CB 3.37Å; G552-K611 VanDerWaalsContact O-CG 3.23Å; G552-K611 WeakPolarHBondContact O-CG 3.24Å
553	A	89.8	Confident	91.5	Very high	21 Å²	21	60.8 Å²	60.8	17%	0.174	33%	0.333	C	S	.	.	S	Bend	trans	-75.1	155.5	-176.2	0	0	0	0	0	112.6	A550 D555 V559 L610	A550-A553 WeakPolarHBondContact O-CB 3.42Å; A550-A553 PolarHBondContact O-N 2.94Å; A553-D555 VanDerWaalsContact C-N 3.31Å; A553-V559 HydrophobicContact CB-CG2 3.33Å; A553-L610 HydrophobicContact CB-CD2 4.04Å; A553-L610 HydrophobicContact CB-CG 4.35Å
554	V	83.4	Confident	91.6	Very high	92 Å²	92	59.1 Å²	59.1	56%	0.558	32%	0.321	S	S	*	.	S	Bend	trans	-66.4	-35.6	174.8	-179.5	0	0	0	0	111.3
555	D	86.4	Confident	91.6	Very high	88 Å²	88	60.8 Å²	60.8	47%	0.471	33%	0.328	S	S	.	.	S	Bend	trans	-127.9	103.5	168.9	-178.8	-12.2	0	0	0	108.4	A553 D557 A558 V559	A553-D555 VanDerWaalsContact C-N 3.31Å; D555-D557 VanDerWaalsContact C-N 3.3Å; D555-D557 PolarHBondContact O-N 3.06Å; D555-D557 PolarHBondContact OD1-N 3.46Å; D555-A558 HydrophobicContact CB-CB 4.02Å; D555-A558 PolarHBondContact O-N 3.47Å; D555-A558 PolarHBondContact OD1-N 3.28Å; D555-V559 WeakPolarHBondContact O-CG2 3.26Å
556	P	82.9	Confident	91.6	Very high	62 Å²	62	63.5 Å²	63.5	40%	0.403	35%	0.347	S	S	.	.	S	Bend	trans	-65.4	-25.4	178.9	-25.2	36.3	0	0	0	115	A550	A550-P556 HydrophobicContact CB-CB 4.39Å
557	D	82.1	Confident	91.6	Very high	163 Å²	163	60.1 Å²	60.1	87%	0.872	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.5	-178.1	-72.1	-31.4	0	0	0	111.7	D555	D555-D557 VanDerWaalsContact C-N 3.3Å; D555-D557 PolarHBondContact O-N 3.06Å; D555-D557 PolarHBondContact OD1-N 3.46Å
558	A	86.8	Confident	91.6	Very high	70 Å²	70	55.8 Å²	55.8	58%	0.579	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-9.4	172.8	0	0	0	0	0	114.3	D555	D555-A558 HydrophobicContact CB-CB 4.02Å; D555-A558 PolarHBondContact O-N 3.47Å; D555-A558 PolarHBondContact OD1-N 3.28Å
559	V	90.6	Very high	91.6	Very high	29 Å²	29	61.3 Å²	61.3	18%	0.176	33%	0.334	C	S	.	.			trans	-74.3	127.9	-175.1	-178.2	0	0	0	0	111.4	A553 D555 D563 I564 L610	A553-V559 HydrophobicContact CB-CG2 3.33Å; D555-V559 WeakPolarHBondContact O-CG2 3.26Å; V559-D563 HydrophobicContact CG1-CB 4.1Å; V559-I564 HydrophobicContact CG1-CD1 4Å; V559-I564 HydrophobicContact CG1-CG1 3.6Å; V559-L610 HydrophobicContact CG1-CD1 4.13Å; V559-L610 HydrophobicContact CG1-CD2 3.97Å; V559-L610 HydrophobicContact CG2-CD2 4.19Å
560	T	92.9	Very high	91.6	Very high	72 Å²	72	64.2 Å²	64.2	44%	0.442	35%	0.352	S	S	.	.			trans	-82.8	154.7	173.8	83.3	0	0	0	0	111.8	Q562 D563 I564	T560-Q562 PolarHBondContact O-N 3.25Å; T560-Q562 VanDerWaalsContact O-N 3.15Å; T560-Q562 PolarHBondContact OG1-N 3.46Å; T560-D563 WeakPolarHBondContact CA-OD2 3.35Å; T560-D563 VanDerWaalsContact CB-OD2 3.24Å; T560-D563 WeakPolarHBondContact CB-OD2 3.45Å; T560-D563 WeakPolarHBondContact CG2-OD2 3.18Å; T560-D563 PolarHBondContact N-OD2 2.9Å; T560-D563 PolarHBondContact O-N 2.88Å; T560-D563 VanDerWaalsContact OG1-CG 3.24Å; T560-D563 PolarHBondContact OG1-N 3.32Å; T560-D563 PolarHBondContact OG1-OD2 2.94Å; T560-I564 PolarHBondContact O-N 2.82Å
561	I	92	Very high	91.6	Very high	119 Å²	119	63.7 Å²	63.7	61%	0.61	35%	0.348	S	S	*	.	H	α-helix	trans	-56.4	-31.1	173.2	-63.2	171.6	0	0	0	111.2	I564 H565	I561-I564 PolarHBondContact O-N 2.88Å; I561-H565 WeakPolarHBondContact O-CB 3.43Å; I561-H565 PolarHBondContact O-CD2 2.99Å; I561-H565 VanDerWaalsContact O-CG 3.24Å; I561-H565 PolarHBondContact O-N 3.17Å
562	Q	93.8	Very high	91.6	Very high	117 Å²	117	58 Å²	58	55%	0.547	33%	0.327	S	S	.	.	H	α-helix	trans	-70.2	-32.3	179.2	-172.2	69.2	-9.8	0	0	112.4	T560 H565 S566	T560-Q562 PolarHBondContact O-N 3.25Å; T560-Q562 VanDerWaalsContact O-N 3.15Å; T560-Q562 PolarHBondContact OG1-N 3.46Å; Q562-H565 PolarHBondContact O-N 3.01Å; Q562-S566 WeakPolarHBondContact O-CB 3.35Å; Q562-S566 PolarHBondContact O-N 3.04Å; Q562-S566 PolarHBondContact O-OG 2.74Å
563	D	93.6	Very high	91.8	Very high	63 Å²	63	57.7 Å²	57.7	34%	0.337	32%	0.323	S	S	.	.	H	α-helix	trans	-71.3	-40.1	175.4	-51.9	-53.5	0	0	0	111	V559 T560 H565 S566 A567 L610	V559-D563 HydrophobicContact CG1-CB 4.1Å; T560-D563 WeakPolarHBondContact CA-OD2 3.35Å; T560-D563 VanDerWaalsContact CB-OD2 3.24Å; T560-D563 WeakPolarHBondContact CB-OD2 3.45Å; T560-D563 WeakPolarHBondContact CG2-OD2 3.18Å; T560-D563 PolarHBondContact N-OD2 2.9Å; T560-D563 PolarHBondContact O-N 2.88Å; T560-D563 VanDerWaalsContact OG1-CG 3.24Å; T560-D563 PolarHBondContact OG1-N 3.32Å; T560-D563 PolarHBondContact OG1-OD2 2.94Å; D563-H565 VanDerWaalsContact C-N 3.34Å; D563-S566 PolarHBondContact O-N 3.22Å; D563-S566 PolarHBondContact O-OG 3.28Å; D563-A567 WeakPolarHBondContact O-CB 3.28Å; D563-A567 PolarHBondContact O-N 3.1Å; D563-L610 HydrophobicContact CB-CD1 3.8Å
564	I	95	Very high	92.1	Very high	12 Å²	12	58.2 Å²	58.2	6%	0.062	32%	0.321	C	S	.	.	H	α-helix	trans	-62.7	-43.2	173	-61.5	176.3	0	0	0	110.3	K546 I549 A550 V559 T560 I561 A568 F584	K546-I564 HydrophobicContact CB-CD1 3.99Å; K546-I564 HydrophobicContact CB-CG2 4.39Å; I549-I564 HydrophobicContact CB-CG2 4.2Å; I549-I564 HydrophobicContact CD1-CG2 4.09Å; I549-I564 HydrophobicContact CG2-CG2 4.1Å; A550-I564 HydrophobicContact CB-CD1 4.2Å; V559-I564 HydrophobicContact CG1-CD1 4Å; V559-I564 HydrophobicContact CG1-CG1 3.6Å; T560-I564 PolarHBondContact O-N 2.82Å; I561-I564 PolarHBondContact O-N 2.88Å; I564-A568 WeakPolarHBondContact O-CB 3.44Å; I564-A568 PolarHBondContact O-N 3.01Å; I564-F584 HydrophobicContact CG2-CD1 3.75Å; I564-F584 HydrophobicContact CG2-CE1 3.79Å
565	H	96.1	Very high	92.6	Very high	39 Å²	39	59.5 Å²	59.5	18%	0.181	33%	0.325	C	S	.	.	H	α-helix	trans	-66.3	-38.5	176	-73	-178.5	0	0	0	112.9	I561 Q562 D563 R569 Y574 F584	I561-H565 WeakPolarHBondContact O-CB 3.43Å; I561-H565 PolarHBondContact O-CD2 2.99Å; I561-H565 VanDerWaalsContact O-CG 3.24Å; I561-H565 PolarHBondContact O-N 3.17Å; Q562-H565 PolarHBondContact O-N 3.01Å; D563-H565 VanDerWaalsContact C-N 3.34Å; H565-R569 VanDerWaalsContact O-CG 3.31Å; H565-R569 WeakPolarHBondContact O-CG 3.35Å; H565-R569 PolarHBondContact O-N 3.2Å; H565-Y574 HydrophobicContact CB-CD2 4.34Å; H565-Y574 HydrophobicContact CB-CE2 4.03Å; H565-Y574 AromaticContact CG-CE2 3.88Å; H565-F584 AromaticContact CD2-CD2 3.81Å; H565-F584 AromaticContact CD2-CE2 3.41Å; H565-F584 VanDerWaalsContact CD2-CE2 3.41Å; H565-F584 WeakPolarHBondContact CD2-CE2 3.21Å; H565-F584 AromaticContact CD2-CZ 3.58Å; H565-F584 AromaticContact NE2-CD2 3.52Å; H565-F584 AromaticContact NE2-CE2 3.5Å
566	S	95.1	Very high	93	Very high	56 Å²	56	56.3 Å²	56.3	39%	0.392	31%	0.307	S	S	.	.	H	α-helix	trans	-70.1	-46.6	179.4	72.7	0	0	0	0	111.3	Q562 D563 A568 R569 V570	Q562-S566 WeakPolarHBondContact O-CB 3.35Å; Q562-S566 PolarHBondContact O-N 3.04Å; Q562-S566 PolarHBondContact O-OG 2.74Å; D563-S566 PolarHBondContact O-N 3.22Å; D563-S566 PolarHBondContact O-OG 3.28Å; S566-A568 VanDerWaalsContact C-N 3.32Å; S566-A568 PolarHBondContact O-N 2.87Å; S566-R569 PolarHBondContact O-N 3.08Å; S566-R569 VanDerWaalsContact O-N 3.12Å; S566-V570 PolarHBondContact O-N 3.4Å
567	A	95.2	Very high	93.7	Very high	7 Å²	7	53.3 Å²	53.3	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-42.2	173.6	0	0	0	0	0	111.7	D563 R569 V570 A571 A606 L609 L610	D563-A567 WeakPolarHBondContact O-CB 3.28Å; D563-A567 PolarHBondContact O-N 3.1Å; A567-R569 VanDerWaalsContact C-N 3.34Å; A567-R569 PolarHBondContact O-N 3.32Å; A567-V570 PolarHBondContact O-N 2.93Å; A567-A571 VanDerWaalsContact O-CB 3.23Å; A567-A571 WeakPolarHBondContact O-CB 3.17Å; A567-A571 PolarHBondContact O-N 3.5Å; A567-A606 HydrophobicContact CB-CB 4.42Å; A567-L609 HydrophobicContact CB-CB 4.33Å; A567-L610 HydrophobicContact CB-CB 4.31Å
568	A	96.3	Very high	94.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-32.3	175.7	0	0	0	0	0	113.4	I549 I564 S566 N572 A573 Y574 I577 F584	I549-A568 HydrophobicContact CD1-CB 4.43Å; I564-A568 WeakPolarHBondContact O-CB 3.44Å; I564-A568 PolarHBondContact O-N 3.01Å; S566-A568 VanDerWaalsContact C-N 3.32Å; S566-A568 PolarHBondContact O-N 2.87Å; A568-N572 PolarHBondContact O-N 3.29Å; A568-A573 HydrophobicContact CB-CB 4.37Å; A568-A573 WeakPolarHBondContact O-CA 3.37Å; A568-A573 WeakPolarHBondContact O-CB 3.31Å; A568-A573 PolarHBondContact O-N 3.35Å; A568-Y574 PolarHBondContact O-N 3.36Å; A568-I577 HydrophobicContact CB-CD1 4.3Å; A568-F584 HydrophobicContact CB-CE1 3.82Å; A568-F584 HydrophobicContact CB-CZ 3.77Å
569	R	96.1	Very high	94.7	Very high	117 Å²	117	52 Å²	52	44%	0.442	27%	0.274	S	S	.	.	H	α-helix	trans	-72.1	-47.7	175.4	-74.7	171.8	-170.6	159.5	3.9	111.7	H565 S566 A567 A571 N572 Y574	H565-R569 VanDerWaalsContact O-CG 3.31Å; H565-R569 WeakPolarHBondContact O-CG 3.35Å; H565-R569 PolarHBondContact O-N 3.2Å; S566-R569 PolarHBondContact O-N 3.08Å; S566-R569 VanDerWaalsContact O-N 3.12Å; A567-R569 VanDerWaalsContact C-N 3.34Å; A567-R569 PolarHBondContact O-N 3.32Å; R569-A571 PolarHBondContact O-N 3.08Å; R569-N572 PolarHBondContact O-N 2.89Å; R569-Y574 HydrophobicContact CG-CD1 4.14Å; R569-Y574 HydrophobicContact CG-CD2 3.67Å; R569-Y574 HydrophobicContact CG-CE2 4.45Å; R569-Y574 HydrophobicContact CG-CG 3.5Å; R569-Y574 VanDerWaalsContact NH2-CZ 3.29Å; R569-Y574 PolarHBondContact NH2-OH 3.16Å
570	V	94.3	Very high	94.9	Very high	61 Å²	61	52.5 Å²	52.5	37%	0.37	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-34.3	177.3	177.4	0	0	0	0	111	S566 A567 N572 L609 R639	S566-V570 PolarHBondContact O-N 3.4Å; A567-V570 PolarHBondContact O-N 2.93Å; V570-N572 VanDerWaalsContact C-N 3.26Å; V570-N572 PolarHBondContact O-N 3.39Å; V570-L609 HydrophobicContact CB-CD1 3.86Å; V570-L609 HydrophobicContact CG1-CD1 3.65Å; V570-L609 HydrophobicContact CG1-CD2 3.97Å; V570-L609 HydrophobicContact CG1-CG 4.48Å; V570-R639 HydrophobicContact CG1-CB 4.05Å; V570-R639 WeakPolarHBondContact O-CD 3.47Å; V570-R639 PolarHBondContact O-NH1 3.23Å
571	A	94.9	Very high	95	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	6.7	174.4	0	0	0	0	0	115.7	A567 R569 A573 R602 I605 A606 L609	A567-A571 VanDerWaalsContact O-CB 3.23Å; A567-A571 WeakPolarHBondContact O-CB 3.17Å; A567-A571 PolarHBondContact O-N 3.5Å; R569-A571 PolarHBondContact O-N 3.08Å; A571-A573 HydrophobicContact CB-CB 4.29Å; A571-A573 PolarHBondContact O-N 2.92Å; A571-R602 WeakPolarHBondContact CB-O 3.45Å; A571-R602 WeakPolarHBondContact O-CB 3.42Å; A571-R602 WeakPolarHBondContact O-CD 3.23Å; A571-R602 VanDerWaalsContact O-CG 3.25Å; A571-R602 WeakPolarHBondContact O-CG 3.43Å; A571-I605 HydrophobicContact CB-CB 4.21Å; A571-I605 HydrophobicContact CB-CG2 3.82Å; A571-A606 HydrophobicContact CB-CB 3.78Å; A571-L609 HydrophobicContact CB-CD1 3.98Å
572	N	95.1	Very high	95.1	Very high	23 Å²	23	56.8 Å²	56.8	12%	0.123	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	22.6	-172.5	-68.1	-26.6	0	0	0	114.1	A568 R569 V570 R602 L632 E635 R639	A568-N572 PolarHBondContact O-N 3.29Å; R569-N572 PolarHBondContact O-N 2.89Å; V570-N572 VanDerWaalsContact C-N 3.26Å; V570-N572 PolarHBondContact O-N 3.39Å; N572-R602 WeakPolarHBondContact O-CD 3.49Å; N572-R602 PolarHBondContact O-NH1 3.45Å; N572-L632 HydrophobicContact CB-CB 4.4Å; N572-L632 PolarHBondContact ND2-O 2.91Å; N572-E635 PolarHBondContact ND2-OE2 2.98Å; N572-R639 PolarHBondContact OD1-NH1 3.42Å; N572-R639 PolarHBondContact OD1-NH2 2.7Å
573	A	95.9	Very high	95.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.			trans	-94.7	-28	-174.4	0	0	0	0	0	113.5	A568 A571 D575 F576 I577 R602	A568-A573 HydrophobicContact CB-CB 4.37Å; A568-A573 WeakPolarHBondContact O-CA 3.37Å; A568-A573 WeakPolarHBondContact O-CB 3.31Å; A568-A573 PolarHBondContact O-N 3.35Å; A571-A573 HydrophobicContact CB-CB 4.29Å; A571-A573 PolarHBondContact O-N 2.92Å; A573-D575 PolarHBondContact O-N 3.09Å; A573-F576 HydrophobicContact CB-CD1 4.49Å; A573-F576 HydrophobicContact CB-CE1 3.81Å; A573-F576 HydrophobicContact CB-CZ 4.31Å; A573-F576 VanDerWaalsContact O-CD1 3.25Å; A573-F576 WeakPolarHBondContact O-CD1 3.44Å; A573-F576 PolarHBondContact O-N 3.48Å; A573-I577 HydrophobicContact CB-CD1 3.69Å; A573-I577 WeakPolarHBondContact O-CD1 3.33Å; A573-I577 VanDerWaalsContact O-CG1 3.25Å; A573-I577 WeakPolarHBondContact O-CG1 3.35Å; A573-I577 PolarHBondContact O-N 3.23Å; A573-I577 VanDerWaalsContact O-N 3.09Å; A573-R602 HydrophobicContact CB-CB 4.01Å
574	Y	96.5	Very high	95.4	Very high	33 Å²	33	50.2 Å²	50.2	13%	0.129	27%	0.267	C	S	.	.	H	α-helix	trans	-51.3	-48.2	-168.3	-178	-89.9	0	0	0	113.8	H565 A568 R569 I577 Q578 F584	H565-Y574 HydrophobicContact CB-CD2 4.34Å; H565-Y574 HydrophobicContact CB-CE2 4.03Å; H565-Y574 AromaticContact CG-CE2 3.88Å; A568-Y574 PolarHBondContact O-N 3.36Å; R569-Y574 HydrophobicContact CG-CD1 4.14Å; R569-Y574 HydrophobicContact CG-CD2 3.67Å; R569-Y574 HydrophobicContact CG-CE2 4.45Å; R569-Y574 HydrophobicContact CG-CG 3.5Å; R569-Y574 VanDerWaalsContact NH2-CZ 3.29Å; R569-Y574 PolarHBondContact NH2-OH 3.16Å; Y574-I577 PolarHBondContact O-N 3.06Å; Y574-Q578 WeakPolarHBondContact O-CB 3.21Å; Y574-Q578 PolarHBondContact O-N 3.04Å; Y574-Q578 PolarHBondContact OH-OE1 2.64Å; Y574-F584 HydrophobicContact CD2-CE2 4.18Å; Y574-F584 AromaticContact CD2-CZ 4Å; Y574-F584 HydrophobicContact CD2-CZ 4Å; Y574-F584 HydrophobicContact CE2-CE2 4.21Å; Y574-F584 HydrophobicContact CE2-CZ 4.43Å
575	D	94.2	Very high	95.5	Very high	118 Å²	118	53.7 Å²	53.7	63%	0.631	29%	0.286	S	S	*	.	H	α-helix	trans	-70.6	-41.5	-172	-49	-68.7	0	0	0	112.6	A573 I577 Q578 S579	A573-D575 PolarHBondContact O-N 3.09Å; D575-I577 VanDerWaalsContact C-N 3.33Å; D575-Q578 PolarHBondContact O-N 2.73Å; D575-S579 PolarHBondContact O-N 2.85Å
576	F	94.3	Very high	95.5	Very high	21 Å²	21	52.2 Å²	52.2	9%	0.092	28%	0.28	C	S	.	.	H	α-helix	trans	-69.7	-34.5	175.8	87.2	-108.3	0	0	0	111.2	A573 S579 F580 Q599 R602 I603	A573-F576 HydrophobicContact CB-CD1 4.49Å; A573-F576 HydrophobicContact CB-CE1 3.81Å; A573-F576 HydrophobicContact CB-CZ 4.31Å; A573-F576 VanDerWaalsContact O-CD1 3.25Å; A573-F576 WeakPolarHBondContact O-CD1 3.44Å; A573-F576 PolarHBondContact O-N 3.48Å; F576-S579 PolarHBondContact O-N 3.27Å; F576-S579 PolarHBondContact O-OG 2.93Å; F576-F580 AromaticContact CD2-CE2 3.83Å; F576-F580 HydrophobicContact CD2-CE2 3.83Å; F576-F580 HydrophobicContact CD2-CZ 4.25Å; F576-F580 HydrophobicContact CE2-CE2 4.06Å; F576-Q599 HydrophobicContact CD1-CG 4.21Å; F576-Q599 HydrophobicContact CD2-CB 4.48Å; F576-Q599 HydrophobicContact CD2-CG 3.87Å; F576-Q599 HydrophobicContact CE1-CB 4.2Å; F576-Q599 HydrophobicContact CE1-CG 3.98Å; F576-Q599 HydrophobicContact CE2-CB 3.76Å; F576-Q599 HydrophobicContact CE2-CG 3.66Å; F576-Q599 HydrophobicContact CG-CG 4.17Å; F576-Q599 HydrophobicContact CZ-CB 3.61Å; F576-Q599 HydrophobicContact CZ-CG 3.72Å; F576-R602 HydrophobicContact CE1-CB 4.07Å; F576-I603 HydrophobicContact CE2-CD1 4.4Å; F576-I603 HydrophobicContact CZ-CD1 4.2Å; F576-I603 HydrophobicContact CZ-CG1 4.12Å
577	I	96.5	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-46	174.2	-64.3	165	0	0	0	110.1	I545 I549 A568 A573 Y574 D575 S579 F580 G583 F584 I603	I545-I577 HydrophobicContact CD1-CG1 4.32Å; I545-I577 HydrophobicContact CD1-CG2 4.17Å; I545-I577 HydrophobicContact CG2-CD1 3.74Å; I545-I577 HydrophobicContact CG2-CG1 4.03Å; I545-I577 HydrophobicContact CG2-CG2 3.98Å; I549-I577 HydrophobicContact CD1-CD1 4.25Å; A568-I577 HydrophobicContact CB-CD1 4.3Å; A573-I577 HydrophobicContact CB-CD1 3.69Å; A573-I577 WeakPolarHBondContact O-CD1 3.33Å; A573-I577 VanDerWaalsContact O-CG1 3.25Å; A573-I577 WeakPolarHBondContact O-CG1 3.35Å; A573-I577 PolarHBondContact O-N 3.23Å; A573-I577 VanDerWaalsContact O-N 3.09Å; Y574-I577 PolarHBondContact O-N 3.06Å; D575-I577 VanDerWaalsContact C-N 3.33Å; I577-S579 PolarHBondContact O-N 2.71Å; I577-F580 PolarHBondContact O-N 2.91Å; I577-G583 CarbonylContact O-C 3.47Å; I577-G583 VanDerWaalsContact O-CA 3.31Å; I577-G583 WeakPolarHBondContact O-CA 3.34Å; I577-F584 HydrophobicContact CB-CE1 4.44Å; I577-F584 HydrophobicContact CB-CE2 4.34Å; I577-F584 HydrophobicContact CB-CZ 4.19Å; I577-F584 HydrophobicContact CD1-CE1 3.88Å; I577-F584 HydrophobicContact CD1-CZ 4.18Å; I577-F584 HydrophobicContact CG2-CB 4.33Å; I577-F584 HydrophobicContact CG2-CD1 3.72Å; I577-F584 HydrophobicContact CG2-CD2 3.64Å; I577-F584 HydrophobicContact CG2-CE1 3.8Å; I577-F584 HydrophobicContact CG2-CE2 3.71Å; I577-F584 HydrophobicContact CG2-CG 3.63Å; I577-F584 HydrophobicContact CG2-CZ 3.78Å; I577-I603 HydrophobicContact CD1-CG1 4.38Å
578	Q	95.3	Very high	95.5	Very high	116 Å²	116	52.4 Å²	52.4	54%	0.542	28%	0.278	S	S	.	.	H	α-helix	trans	-66.6	-23.4	177.6	-173.3	168	-14.4	0	0	112.8	Y574 D575 F580	Y574-Q578 WeakPolarHBondContact O-CB 3.21Å; Y574-Q578 PolarHBondContact O-N 3.04Å; Y574-Q578 PolarHBondContact OH-OE1 2.64Å; D575-Q578 PolarHBondContact O-N 2.73Å; Q578-F580 VanDerWaalsContact C-N 3.29Å; Q578-F580 PolarHBondContact O-N 3.18Å
579	S	95.1	Very high	95.1	Very high	90 Å²	90	53.2 Å²	53.2	63%	0.629	29%	0.286	S	S	*	.	H	α-helix	trans	-70.2	-18.3	174.3	81.8	0	0	0	0	114.7	D575 F576 I577	D575-S579 PolarHBondContact O-N 2.85Å; F576-S579 PolarHBondContact O-N 3.27Å; F576-S579 PolarHBondContact O-OG 2.93Å; I577-S579 PolarHBondContact O-N 2.71Å
580	F	95.8	Very high	94.4	Very high	38 Å²	38	56.2 Å²	56.2	17%	0.167	31%	0.305	C	S	.	.	S	Bend	trans	-72.2	146.1	176.2	-68.6	-57.9	0	0	0	112	I545 F576 I577 Q578 K582 G583 T586 V593 L595	I545-F580 HydrophobicContact CD1-CD2 3.91Å; I545-F580 HydrophobicContact CD1-CE2 3.92Å; F576-F580 AromaticContact CD2-CE2 3.83Å; F576-F580 HydrophobicContact CD2-CE2 3.83Å; F576-F580 HydrophobicContact CD2-CZ 4.25Å; F576-F580 HydrophobicContact CE2-CE2 4.06Å; I577-F580 PolarHBondContact O-N 2.91Å; Q578-F580 VanDerWaalsContact C-N 3.29Å; Q578-F580 PolarHBondContact O-N 3.18Å; F580-K582 PolarHBondContact O-N 3.03Å; F580-G583 PolarHBondContact O-N 3.2Å; F580-T586 HydrophobicContact CB-CG2 4.28Å; F580-T586 VanDerWaalsContact CB-OG1 3.22Å; F580-T586 WeakPolarHBondContact CB-OG1 3.39Å; F580-T586 HydrophobicContact CD2-CG2 4.32Å; F580-T586 HydrophobicContact CG-CG2 4.15Å; F580-V593 HydrophobicContact CE1-CG1 4.09Å; F580-L595 HydrophobicContact CE1-CD2 4.42Å; F580-L595 HydrophobicContact CE2-CD2 3.86Å; F580-L595 HydrophobicContact CZ-CD2 3.41Å; F580-L595 VanDerWaalsContact CZ-CD2 3.41Å
581	P	93.8	Very high	93.4	Very high	137 Å²	137	62 Å²	62	89%	0.89	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-9.9	179.5	-26.7	35.3	0	0	0	116.8
582	K	95.4	Very high	92.9	Very high	145 Å²	145	63.3 Å²	63.3	63%	0.63	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	7.2	173.3	-66	-171.7	176.1	-172.5	0	113.4	F580 F584 D585	F580-K582 PolarHBondContact O-N 3.03Å; K582-F584 PolarHBondContact O-N 2.91Å; K582-D585 HydrophobicContact CB-CB 4.3Å; K582-D585 WeakPolarHBondContact O-CB 3.24Å; K582-D585 PolarHBondContact O-N 3.22Å
583	G	96.1	Very high	92.5	Very high	17 Å²	17	65.1 Å²	65.1	18%	0.175	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	52.6	-129.1	-175.4	0	0	0	0	0	112.3	I577 F580 D585 T586	I577-G583 CarbonylContact O-C 3.47Å; I577-G583 VanDerWaalsContact O-CA 3.31Å; I577-G583 WeakPolarHBondContact O-CA 3.34Å; F580-G583 PolarHBondContact O-N 3.2Å; G583-D585 VanDerWaalsContact C-N 3.27Å; G583-D585 PolarHBondContact O-N 2.89Å; G583-T586 VanDerWaalsContact O-CB 3.28Å; G583-T586 WeakPolarHBondContact O-CB 3.45Å; G583-T586 PolarHBondContact O-N 3.05Å; G583-T586 PolarHBondContact O-OG1 3.48Å
584	F	96.2	Very high	92.1	Very high	24 Å²	24	72.3 Å²	72.3	11%	0.105	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-67.1	-18.1	176.4	-73.5	-95	0	0	0	114.9	I545 K546 I549 I564 H565 A568 Y574 I577 K582 T586	I545-F584 HydrophobicContact CG2-CD1 4.17Å; I545-F584 PolarHBondContact N-O 2.91Å; I545-F584 VanDerWaalsContact N-O 3.13Å; K546-F584 HydrophobicContact CB-CB 4.19Å; K546-F584 PolarHBondContact N-O 3.27Å; I549-F584 HydrophobicContact CD1-CD1 4.41Å; I549-F584 HydrophobicContact CD1-CE1 4.06Å; I564-F584 HydrophobicContact CG2-CD1 3.75Å; I564-F584 HydrophobicContact CG2-CE1 3.79Å; H565-F584 AromaticContact CD2-CD2 3.81Å; H565-F584 AromaticContact CD2-CE2 3.41Å; H565-F584 VanDerWaalsContact CD2-CE2 3.41Å; H565-F584 WeakPolarHBondContact CD2-CE2 3.21Å; H565-F584 AromaticContact CD2-CZ 3.58Å; H565-F584 AromaticContact NE2-CD2 3.52Å; H565-F584 AromaticContact NE2-CE2 3.5Å; A568-F584 HydrophobicContact CB-CE1 3.82Å; A568-F584 HydrophobicContact CB-CZ 3.77Å; Y574-F584 HydrophobicContact CD2-CE2 4.18Å; Y574-F584 AromaticContact CD2-CZ 4Å; Y574-F584 HydrophobicContact CD2-CZ 4Å; Y574-F584 HydrophobicContact CE2-CE2 4.21Å; Y574-F584 HydrophobicContact CE2-CZ 4.43Å; I577-F584 HydrophobicContact CB-CE1 4.44Å; I577-F584 HydrophobicContact CB-CE2 4.34Å; I577-F584 HydrophobicContact CB-CZ 4.19Å; I577-F584 HydrophobicContact CD1-CE1 3.88Å; I577-F584 HydrophobicContact CD1-CZ 4.18Å; I577-F584 HydrophobicContact CG2-CB 4.33Å; I577-F584 HydrophobicContact CG2-CD1 3.72Å; I577-F584 HydrophobicContact CG2-CD2 3.64Å; I577-F584 HydrophobicContact CG2-CE1 3.8Å; I577-F584 HydrophobicContact CG2-CE2 3.71Å; I577-F584 HydrophobicContact CG2-CG 3.63Å; I577-F584 HydrophobicContact CG2-CZ 3.78Å; K582-F584 PolarHBondContact O-N 2.91Å; F584-T586 PolarHBondContact O-N 3.34Å
585	D	96.5	Very high	91.8	Very high	86 Å²	86	71.6 Å²	71.6	46%	0.46	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-83.9	6.5	173.7	-69.9	-51.6	0	0	0	113.2	K546 K582 G583 V587	K546-D585 WeakPolarHBondContact CD-OD1 3.41Å; K546-D585 WeakPolarHBondContact CE-OD1 3.5Å; K546-D585 IonicContact NZ-OD1 2.43Å; K546-D585 PolarHBondContact NZ-OD1 3.47Å; K582-D585 HydrophobicContact CB-CB 4.3Å; K582-D585 WeakPolarHBondContact O-CB 3.24Å; K582-D585 PolarHBondContact O-N 3.22Å; G583-D585 VanDerWaalsContact C-N 3.27Å; G583-D585 PolarHBondContact O-N 2.89Å; D585-V587 PolarHBondContact O-N 2.89Å
586	T	96.5	Very high	91.6	Very high	8 Å²	8	68 Å²	68	5%	0.049	37%	0.371	C	S	.	.			trans	-65.9	124.7	171.7	-55.9	0	0	0	0	109.8	S544 I545 F580 G583 F584 V588 V593	S544-T586 CarbonylContact C-O 3.58Å; S544-T586 WeakPolarHBondContact CA-O 3.42Å; I545-T586 HydrophobicContact CD1-CG2 4.46Å; I545-T586 PolarHBondContact N-O 3.01Å; F580-T586 HydrophobicContact CB-CG2 4.28Å; F580-T586 VanDerWaalsContact CB-OG1 3.22Å; F580-T586 WeakPolarHBondContact CB-OG1 3.39Å; F580-T586 HydrophobicContact CD2-CG2 4.32Å; F580-T586 HydrophobicContact CG-CG2 4.15Å; G583-T586 VanDerWaalsContact O-CB 3.28Å; G583-T586 WeakPolarHBondContact O-CB 3.45Å; G583-T586 PolarHBondContact O-N 3.05Å; G583-T586 PolarHBondContact O-OG1 3.48Å; F584-T586 PolarHBondContact O-N 3.34Å; T586-V588 HydrophobicContact CG2-CG1 4.49Å; T586-V593 HydrophobicContact CG2-CB 4.12Å; T586-V593 HydrophobicContact CG2-CG2 3.65Å
587	V	95.8	Very high	91.3	Very high	67 Å²	67	68.8 Å²	68.8	41%	0.406	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-81	129.3	176.1	-179.4	0	0	0	0	109.4	C543 D585 G592 V593	C543-V587 WeakPolarHBondContact O-CA 3.37Å; D585-V587 PolarHBondContact O-N 2.89Å; V587-G592 CarbonylContact O-C 3.56Å; V587-G592 WeakPolarHBondContact O-CA 3.48Å; V587-V593 PolarHBondContact O-N 3.5Å
588	V	94.4	Very high	90.9	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	39%	0.385	C	S	.	.			trans	-120.6	-162.4	-176.9	-66.1	0	0	0	0	110.6	L540 S542 C543 I545 N548 T586 L595	L540-V588 HydrophobicContact CB-CG2 4.43Å; L540-V588 HydrophobicContact CD1-CG2 4.3Å; S542-V588 WeakPolarHBondContact CA-O 3.46Å; C543-V588 PolarHBondContact O-N 2.87Å; I545-V588 HydrophobicContact CD1-CG1 3.89Å; I545-V588 HydrophobicContact CG1-CG1 3.58Å; I545-V588 HydrophobicContact CG1-CG2 4.08Å; N548-V588 WeakPolarHBondContact ND2-CG2 3.42Å; T586-V588 HydrophobicContact CG2-CG1 4.49Å; V588-L595 HydrophobicContact CB-CD1 4.41Å; V588-L595 HydrophobicContact CG1-CD1 3.97Å; V588-L595 HydrophobicContact CG1-CD2 4.45Å; V588-L595 HydrophobicContact CG1-CG 4.18Å
589	G	89	Confident	90.8	Very high	16 Å²	16	65.3 Å²	65.3	17%	0.165	37%	0.369	C	S	.	.	S	Bend	trans	76.6	-172	-175.1	0	0	0	0	0	113	K591 G592	G589-K591 PolarHBondContact O-N 3.49Å; G589-G592 PolarHBondContact O-N 3.36Å
590	E	80.4	Confident	90.7	Very high	181 Å²	181	65 Å²	65	85%	0.846	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.1	-172.9	-60.8	-175.1	145.3	0	0	115
591	K	74.1	Confident	90.5	Very high	181 Å²	181	63.3 Å²	63.3	79%	0.787	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	3.6	-178.1	-61.2	178.1	-177.5	173.9	0	113.5	G589	G589-K591 PolarHBondContact O-N 3.49Å
592	G	83.6	Confident	90.5	Very high	28 Å²	28	57.8 Å²	57.8	29%	0.289	31%	0.31	S	S	.	.	S	Bend	trans	-114.1	-155.8	-174.8	0	0	0	0	0	113.5	V587 G589 L594	V587-G592 CarbonylContact O-C 3.56Å; V587-G592 WeakPolarHBondContact O-CA 3.48Å; G589-G592 PolarHBondContact O-N 3.36Å; G592-L594 PolarHBondContact O-N 3Å
593	V	87.2	Confident	90.5	Very high	62 Å²	62	50.9 Å²	50.9	38%	0.376	28%	0.28	S	S	.	.			trans	-67.9	128.3	171.9	178.9	0	0	0	0	109.6	F580 T586 V587	F580-V593 HydrophobicContact CE1-CG1 4.09Å; T586-V593 HydrophobicContact CG2-CB 4.12Å; T586-V593 HydrophobicContact CG2-CG2 3.65Å; V587-V593 PolarHBondContact O-N 3.5Å
594	L	87.8	Confident	90.4	Very high	151 Å²	151	50.4 Å²	50.4	79%	0.791	27%	0.274	S	S	*	.			trans	-72.6	127.6	172.9	-63.8	177.1	0	0	0	110	G592	G592-L594 PolarHBondContact O-N 3Å
595	L	90.1	Very high	90.4	Very high	17 Å²	17	49.2 Å²	49.2	9%	0.089	27%	0.269	C	S	.	.			trans	-106.8	150.1	176.9	-63.1	-176.9	0	0	0	111.1	L540 F580 V588 Q599 K600 I603	L540-L595 HydrophobicContact CD1-CD1 3.74Å; F580-L595 HydrophobicContact CE1-CD2 4.42Å; F580-L595 HydrophobicContact CE2-CD2 3.86Å; F580-L595 HydrophobicContact CZ-CD2 3.41Å; F580-L595 VanDerWaalsContact CZ-CD2 3.41Å; V588-L595 HydrophobicContact CB-CD1 4.41Å; V588-L595 HydrophobicContact CG1-CD1 3.97Å; V588-L595 HydrophobicContact CG1-CD2 4.45Å; V588-L595 HydrophobicContact CG1-CG 4.18Å; L595-Q599 HydrophobicContact CB-CB 3.95Å; L595-Q599 HydrophobicContact CD1-CB 4.49Å; L595-Q599 HydrophobicContact CD2-CB 4.46Å; L595-K600 HydrophobicContact CB-CG 3.94Å; L595-K600 WeakPolarHBondContact O-CE 3.37Å; L595-I603 HydrophobicContact CD1-CD1 3.44Å; L595-I603 VanDerWaalsContact CD1-CD1 3.44Å
596	S	89.3	Confident	90.3	Very high	43 Å²	43	45.1 Å²	45.1	30%	0.301	25%	0.247	S	C	.	.			trans	-65.3	164.2	170.9	80.6	0	0	0	0	111.8	G598 Q599 K600	S596-G598 VanDerWaalsContact C-N 3.35Å; S596-G598 PolarHBondContact O-N 3.35Å; S596-Q599 PolarHBondContact O-N 2.91Å; S596-Q599 WeakPolarHBondContact OG-CG 3.49Å; S596-Q599 PolarHBondContact OG-N 3.23Å; S596-K600 WeakPolarHBondContact O-CG 3.25Å; S596-K600 PolarHBondContact O-N 2.96Å
597	G	87.9	Confident	90.3	Very high	38 Å²	38	46.7 Å²	46.7	39%	0.392	25%	0.252	S	S	.	.	H	α-helix	trans	-53.9	-50.1	175.8	0	0	0	0	0	112.2	Q599 K600 Q601	G597-Q599 VanDerWaalsContact C-N 3.35Å; G597-Q599 PolarHBondContact O-N 3.3Å; G597-K600 WeakPolarHBondContact O-CB 3.35Å; G597-K600 PolarHBondContact O-N 3Å; G597-Q601 WeakPolarHBondContact O-CG 3.38Å; G597-Q601 PolarHBondContact O-N 3.29Å
598	G	88.9	Confident	90.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-32	179.3	0	0	0	0	0	113.9	S596 R602	S596-G598 VanDerWaalsContact C-N 3.35Å; S596-G598 PolarHBondContact O-N 3.35Å; G598-R602 WeakPolarHBondContact O-CB 3.36Å; G598-R602 VanDerWaalsContact O-CG 3.31Å; G598-R602 WeakPolarHBondContact O-CG 3.47Å; G598-R602 PolarHBondContact O-N 3.2Å
599	Q	92.2	Very high	90.2	Very high	43 Å²	43	45 Å²	45	20%	0.201	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-42.4	171.8	-73.8	173.7	-21.1	0	0	111.8	F576 L595 S596 G597 I603	F576-Q599 HydrophobicContact CD1-CG 4.21Å; F576-Q599 HydrophobicContact CD2-CB 4.48Å; F576-Q599 HydrophobicContact CD2-CG 3.87Å; F576-Q599 HydrophobicContact CE1-CB 4.2Å; F576-Q599 HydrophobicContact CE1-CG 3.98Å; F576-Q599 HydrophobicContact CE2-CB 3.76Å; F576-Q599 HydrophobicContact CE2-CG 3.66Å; F576-Q599 HydrophobicContact CG-CG 4.17Å; F576-Q599 HydrophobicContact CZ-CB 3.61Å; F576-Q599 HydrophobicContact CZ-CG 3.72Å; L595-Q599 HydrophobicContact CB-CB 3.95Å; L595-Q599 HydrophobicContact CD1-CB 4.49Å; L595-Q599 HydrophobicContact CD2-CB 4.46Å; S596-Q599 PolarHBondContact O-N 2.91Å; S596-Q599 WeakPolarHBondContact OG-CG 3.49Å; S596-Q599 PolarHBondContact OG-N 3.23Å; G597-Q599 VanDerWaalsContact C-N 3.35Å; G597-Q599 PolarHBondContact O-N 3.3Å; Q599-I603 WeakPolarHBondContact O-CG1 3.28Å; Q599-I603 PolarHBondContact O-N 2.96Å; Q599-I603 VanDerWaalsContact O-N 3.1Å
600	K	92.8	Very high	90.4	Very high	82 Å²	82	45.9 Å²	45.9	36%	0.357	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-43.6	174.2	-66.5	176.8	-176.1	178.7	0	111.6	P538 L540 L595 S596 G597 I603 A604	P538-K600 HydrophobicContact CB-CB 4.34Å; P538-K600 HydrophobicContact CG-CB 4.19Å; L540-K600 HydrophobicContact CD1-CB 4.39Å; L540-K600 HydrophobicContact CD1-CG 4.01Å; L595-K600 HydrophobicContact CB-CG 3.94Å; L595-K600 WeakPolarHBondContact O-CE 3.37Å; S596-K600 WeakPolarHBondContact O-CG 3.25Å; S596-K600 PolarHBondContact O-N 2.96Å; G597-K600 WeakPolarHBondContact O-CB 3.35Å; G597-K600 PolarHBondContact O-N 3Å; K600-I603 PolarHBondContact O-N 3.2Å; K600-A604 PolarHBondContact O-N 2.86Å
601	Q	92	Very high	91	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-43.6	179	-74.7	168.2	-15.5	0	0	111.4	Q536 P538 G597 I603 A604 I605 A621 V633	Q536-Q601 PolarHBondContact O-NE2 3.29Å; P538-Q601 HydrophobicContact CG-CB 4.21Å; P538-Q601 HydrophobicContact CG-CG 3.43Å; P538-Q601 VanDerWaalsContact CG-CG 3.43Å; G597-Q601 WeakPolarHBondContact O-CG 3.38Å; G597-Q601 PolarHBondContact O-N 3.29Å; Q601-I603 VanDerWaalsContact C-N 3.34Å; Q601-I603 PolarHBondContact O-N 2.98Å; Q601-A604 CarbonylContact O-C 3.57Å; Q601-A604 PolarHBondContact O-N 3.35Å; Q601-A604 VanDerWaalsContact O-N 3.11Å; Q601-I605 VanDerWaalsContact O-CG1 3.31Å; Q601-I605 WeakPolarHBondContact O-CG1 3.43Å; Q601-I605 PolarHBondContact O-N 3.11Å; Q601-A621 VanDerWaalsContact CD-O 3.26Å; Q601-A621 PolarHBondContact NE2-O 3.47Å; Q601-A621 PolarHBondContact OE1-O 2.82Å; Q601-V633 HydrophobicContact CB-CG1 4.32Å; Q601-V633 HydrophobicContact CB-CG2 4.22Å
602	R	93.9	Very high	91.9	Very high	21 Å²	21	36.3 Å²	36.3	8%	0.079	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-37.6	173.1	-74.7	-171.3	-84.7	177	-13.6	113.3	A571 N572 A573 F576 G598 I605 A606 N629 V633	A571-R602 WeakPolarHBondContact CB-O 3.45Å; A571-R602 WeakPolarHBondContact O-CB 3.42Å; A571-R602 WeakPolarHBondContact O-CD 3.23Å; A571-R602 VanDerWaalsContact O-CG 3.25Å; A571-R602 WeakPolarHBondContact O-CG 3.43Å; N572-R602 WeakPolarHBondContact O-CD 3.49Å; N572-R602 PolarHBondContact O-NH1 3.45Å; A573-R602 HydrophobicContact CB-CB 4.01Å; F576-R602 HydrophobicContact CE1-CB 4.07Å; G598-R602 WeakPolarHBondContact O-CB 3.36Å; G598-R602 VanDerWaalsContact O-CG 3.31Å; G598-R602 WeakPolarHBondContact O-CG 3.47Å; G598-R602 PolarHBondContact O-N 3.2Å; R602-I605 PolarHBondContact O-N 2.99Å; R602-A606 PolarHBondContact O-N 3.49Å; R602-N629 PolarHBondContact NH2-OD1 2.74Å; R602-V633 HydrophobicContact CG-CG2 3.84Å
603	I	95.7	Very high	92.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68	-37.6	172.9	-69.4	170.6	0	0	0	111.8	L540 I545 N548 I549 F576 I577 L595 Q599 K600 Q601 A606 R607	L540-I603 HydrophobicContact CD1-CD1 4.2Å; L540-I603 HydrophobicContact CD1-CG2 4.42Å; L540-I603 HydrophobicContact CD2-CB 4.32Å; L540-I603 HydrophobicContact CD2-CG2 3.66Å; I545-I603 HydrophobicContact CD1-CD1 4.46Å; I545-I603 HydrophobicContact CG1-CD1 4.33Å; I545-I603 HydrophobicContact CG2-CD1 4.13Å; I545-I603 HydrophobicContact CG2-CG1 4.5Å; N548-I603 HydrophobicContact CB-CG2 4.35Å; I549-I603 HydrophobicContact CG1-CG2 4.05Å; F576-I603 HydrophobicContact CE2-CD1 4.4Å; F576-I603 HydrophobicContact CZ-CD1 4.2Å; F576-I603 HydrophobicContact CZ-CG1 4.12Å; I577-I603 HydrophobicContact CD1-CG1 4.38Å; L595-I603 HydrophobicContact CD1-CD1 3.44Å; L595-I603 VanDerWaalsContact CD1-CD1 3.44Å; Q599-I603 WeakPolarHBondContact O-CG1 3.28Å; Q599-I603 PolarHBondContact O-N 2.96Å; Q599-I603 VanDerWaalsContact O-N 3.1Å; K600-I603 PolarHBondContact O-N 3.2Å; Q601-I603 VanDerWaalsContact C-N 3.34Å; Q601-I603 PolarHBondContact O-N 2.98Å; I603-A606 PolarHBondContact O-N 3.29Å; I603-R607 PolarHBondContact O-N 3.49Å
604	A	94.8	Very high	92.7	Very high	6 Å²	6	37.3 Å²	37.3	5%	0.05	20%	0.195	C	C	.	.	H	α-helix	trans	-69.2	-34.3	175.4	0	0	0	0	0	112.9	V534 P538 K600 Q601 R607 A608	V534-A604 HydrophobicContact CG1-CB 4.36Å; P538-A604 HydrophobicContact CB-CB 3.66Å; P538-A604 HydrophobicContact CG-CB 4.15Å; K600-A604 PolarHBondContact O-N 2.86Å; Q601-A604 CarbonylContact O-C 3.57Å; Q601-A604 PolarHBondContact O-N 3.35Å; Q601-A604 VanDerWaalsContact O-N 3.11Å; A604-R607 WeakPolarHBondContact O-CB 3.01Å; A604-R607 PolarHBondContact O-N 2.99Å; A604-A608 WeakPolarHBondContact O-CB 3.35Å; A604-A608 PolarHBondContact O-N 3.29Å
605	I	95.1	Very high	93.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-43.9	170.5	-68.8	162.6	0	0	0	110.1	V534 A571 Q601 R602 R607 A608 L609 V633 A636 L637 L640	V534-I605 HydrophobicContact CG1-CG1 4.3Å; V534-I605 HydrophobicContact CG2-CG1 4.18Å; A571-I605 HydrophobicContact CB-CB 4.21Å; A571-I605 HydrophobicContact CB-CG2 3.82Å; Q601-I605 VanDerWaalsContact O-CG1 3.31Å; Q601-I605 WeakPolarHBondContact O-CG1 3.43Å; Q601-I605 PolarHBondContact O-N 3.11Å; R602-I605 PolarHBondContact O-N 2.99Å; I605-R607 VanDerWaalsContact C-N 3.33Å; I605-R607 PolarHBondContact O-N 3.39Å; I605-A608 PolarHBondContact O-N 3.12Å; I605-L609 HydrophobicContact CG2-CD1 3.85Å; I605-L609 HydrophobicContact CG2-CG 4.32Å; I605-L609 WeakPolarHBondContact O-CB 3.34Å; I605-L609 VanDerWaalsContact O-CG 3.29Å; I605-L609 WeakPolarHBondContact O-CG 3.4Å; I605-L609 PolarHBondContact O-N 2.99Å; I605-V633 HydrophobicContact CD1-CG1 4.09Å; I605-A636 HydrophobicContact CD1-CB 4.06Å; I605-A636 HydrophobicContact CG2-CB 4.1Å; I605-L637 HydrophobicContact CD1-CD2 3.73Å; I605-L637 HydrophobicContact CD1-CG 3.77Å; I605-L637 HydrophobicContact CG1-CD2 3.9Å; I605-L637 HydrophobicContact CG1-CG 4.48Å; I605-L640 HydrophobicContact CB-CD2 4.5Å; I605-L640 HydrophobicContact CG1-CD2 4.41Å; I605-L640 HydrophobicContact CG2-CB 4.37Å; I605-L640 HydrophobicContact CG2-CD2 4.04Å
606	A	95.9	Very high	93.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-41.3	173.4	0	0	0	0	0	112.5	I549 A567 A571 R602 I603 L609 L610	I549-A606 HydrophobicContact CD1-CB 4.12Å; I549-A606 HydrophobicContact CG1-CB 4.1Å; I549-A606 HydrophobicContact CG2-CB 4.12Å; A567-A606 HydrophobicContact CB-CB 4.42Å; A571-A606 HydrophobicContact CB-CB 3.78Å; R602-A606 PolarHBondContact O-N 3.49Å; I603-A606 PolarHBondContact O-N 3.29Å; A606-L609 PolarHBondContact O-N 3.47Å; A606-L610 WeakPolarHBondContact O-CB 3.41Å; A606-L610 PolarHBondContact O-N 2.72Å
607	R	95.4	Very high	93.8	Very high	41 Å²	41	27.4 Å²	27.4	16%	0.155	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-44	172.8	-175.9	-171.1	-66	162.7	-0.8	111.9	I539 N548 G552 I603 A604 I605 K611	I539-R607 PolarHBondContact O-NH1 3.37Å; N548-R607 VanDerWaalsContact O-CZ 3.28Å; N548-R607 PolarHBondContact O-NE 3.07Å; N548-R607 PolarHBondContact O-NH2 3.35Å; N548-R607 PolarHBondContact OD1-NH2 3.45Å; N548-R607 VanDerWaalsContact OD1-NH2 3.09Å; G552-R607 WeakPolarHBondContact CA-O 3.32Å; I603-R607 PolarHBondContact O-N 3.49Å; A604-R607 WeakPolarHBondContact O-CB 3.01Å; A604-R607 PolarHBondContact O-N 2.99Å; I605-R607 VanDerWaalsContact C-N 3.33Å; I605-R607 PolarHBondContact O-N 3.39Å; R607-K611 PolarHBondContact O-N 2.9Å
608	A	94.5	Very high	94	Very high	5 Å²	5	25.6 Å²	25.6	4%	0.041	12%	0.12	C	C	.	.	H	α-helix	trans	-70.3	-34.2	177.9	0	0	0	0	0	113	V534 A604 I605 K611 N612 P613 L640	V534-A608 HydrophobicContact CG2-CB 4.18Å; A604-A608 WeakPolarHBondContact O-CB 3.35Å; A604-A608 PolarHBondContact O-N 3.29Å; I605-A608 PolarHBondContact O-N 3.12Å; A608-K611 WeakPolarHBondContact O-CB 3.23Å; A608-N612 PolarHBondContact O-N 3.16Å; A608-P613 WeakPolarHBondContact O-CD 3.44Å; A608-L640 HydrophobicContact CB-CD1 4.26Å; A608-L640 HydrophobicContact CB-CD2 3.81Å
609	L	94.1	Very high	94	Very high	26 Å²	26	26.5 Å²	26.5	14%	0.136	13%	0.126	C	C	.	.	H	α-helix	trans	-66.2	-46.7	173.8	-75.5	164.5	0	0	0	111.6	A567 V570 A571 I605 A606 K611 N612 L640	A567-L609 HydrophobicContact CB-CB 4.33Å; V570-L609 HydrophobicContact CB-CD1 3.86Å; V570-L609 HydrophobicContact CG1-CD1 3.65Å; V570-L609 HydrophobicContact CG1-CD2 3.97Å; V570-L609 HydrophobicContact CG1-CG 4.48Å; A571-L609 HydrophobicContact CB-CD1 3.98Å; I605-L609 HydrophobicContact CG2-CD1 3.85Å; I605-L609 HydrophobicContact CG2-CG 4.32Å; I605-L609 WeakPolarHBondContact O-CB 3.34Å; I605-L609 VanDerWaalsContact O-CG 3.29Å; I605-L609 WeakPolarHBondContact O-CG 3.4Å; I605-L609 PolarHBondContact O-N 2.99Å; A606-L609 PolarHBondContact O-N 3.47Å; L609-K611 PolarHBondContact O-N 2.69Å; L609-N612 WeakPolarHBondContact O-CA 3.32Å; L609-N612 PolarHBondContact O-N 2.93Å; L609-L640 HydrophobicContact CD2-CB 4.03Å; L609-L640 HydrophobicContact CD2-CD1 3.7Å; L609-L640 HydrophobicContact CD2-CG 4.41Å; L609-L640 HydrophobicContact CG-CB 4.41Å; L609-L640 HydrophobicContact CG-CD1 3.94Å
610	L	93.6	Very high	93.1	Very high	34 Å²	34	26.2 Å²	26.2	18%	0.178	12%	0.124	C	C	.	.	H	α-helix	trans	-61.8	-32.1	178.9	-169.4	73.9	0	0	0	112.3	I549 A553 V559 D563 A567 A606 N612	I549-L610 HydrophobicContact CG2-CD2 4.26Å; I549-L610 WeakPolarHBondContact O-CD2 3.41Å; A553-L610 HydrophobicContact CB-CD2 4.04Å; A553-L610 HydrophobicContact CB-CG 4.35Å; V559-L610 HydrophobicContact CG1-CD1 4.13Å; V559-L610 HydrophobicContact CG1-CD2 3.97Å; V559-L610 HydrophobicContact CG2-CD2 4.19Å; D563-L610 HydrophobicContact CB-CD1 3.8Å; A567-L610 HydrophobicContact CB-CB 4.31Å; A606-L610 WeakPolarHBondContact O-CB 3.41Å; A606-L610 PolarHBondContact O-N 2.72Å; L610-N612 VanDerWaalsContact C-N 3.27Å; L610-N612 PolarHBondContact O-N 3.16Å
611	K	93.2	Very high	91.6	Very high	52 Å²	52	22.5 Å²	22.5	23%	0.226	11%	0.109	C	C	.	.	H	α-helix	trans	-67.4	-24.6	173.4	-168.9	167.8	-174	-177.1	0	113.9	R528 N529 I531 G552 R607 A608 L609	R528-K611 VanDerWaalsContact O-CE 3.3Å; R528-K611 WeakPolarHBondContact O-CE 3.41Å; R528-K611 PolarHBondContact O-NZ 2.65Å; N529-K611 WeakPolarHBondContact O-CE 3.47Å; I531-K611 WeakPolarHBondContact O-CE 3.46Å; I531-K611 PolarHBondContact O-NZ 3.47Å; G552-K611 WeakPolarHBondContact O-CA 3.43Å; G552-K611 WeakPolarHBondContact O-CB 3.37Å; G552-K611 VanDerWaalsContact O-CG 3.23Å; G552-K611 WeakPolarHBondContact O-CG 3.24Å; R607-K611 PolarHBondContact O-N 2.9Å; A608-K611 WeakPolarHBondContact O-CB 3.23Å; L609-K611 PolarHBondContact O-N 2.69Å
612	N	91.9	Very high	90.3	Very high	110 Å²	110	22.7 Å²	22.7	59%	0.588	11%	0.11	S	C	*	.			trans	40.4	57.4	-174.7	-167	27.7	0	0	0	115	A608 L609 L610 R644	A608-N612 PolarHBondContact O-N 3.16Å; L609-N612 WeakPolarHBondContact O-CA 3.32Å; L609-N612 PolarHBondContact O-N 2.93Å; L610-N612 VanDerWaalsContact C-N 3.27Å; L610-N612 PolarHBondContact O-N 3.16Å; N612-R644 PolarHBondContact OD1-NH2 2.93Å
613	P	94.3	Very high	88.6	Confident	3 Å²	3	23 Å²	23	2%	0.019	12%	0.115	C	C	.	.			trans	-70.8	160.2	-175.3	34.4	-40.4	0	0	0	112.2	H530 G532 A608 I615 R644	H530-P613 VanDerWaalsContact O-CB 3.29Å; H530-P613 WeakPolarHBondContact O-CB 3.39Å; G532-P613 VanDerWaalsContact N-CB 3.29Å; A608-P613 WeakPolarHBondContact O-CD 3.44Å; P613-I615 WeakPolarHBondContact CB-O 3.37Å; P613-R644 WeakPolarHBondContact O-CD 3.16Å; P613-R644 WeakPolarHBondContact O-CG 3.25Å; P613-R644 PolarHBondContact O-NE 2.74Å
614	K	94	Very high	86.9	Confident	107 Å²	107	28.1 Å²	28.1	47%	0.465	16%	0.158	S	C	.	.	S	Bend	trans	-84.4	-33.3	169	-74.5	-71.5	-169.9	168.7	0	112.3	L449 H530 T645	L449-K614 HydrophobicContact CD2-CB 4.19Å; L449-K614 HydrophobicContact CD2-CG 3.89Å; L449-K614 HydrophobicContact CG-CB 4.41Å; L449-K614 HydrophobicContact CG-CG 4.24Å; H530-K614 PolarHBondContact O-N 3.21Å; H530-K614 VanDerWaalsContact O-N 3.11Å; K614-T645 PolarHBondContact O-N 3.22Å
615	I	96.7	Very high	85.7	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.7	-178	-63.3	151.8	0	0	0	108.3	L449 L453 I514 H530 I531 G532 P613 L617 T645	L449-I615 HydrophobicContact CD1-CD1 4.47Å; L453-I615 HydrophobicContact CD1-CG2 4.05Å; L453-I615 HydrophobicContact CD2-CD1 3.74Å; L453-I615 HydrophobicContact CD2-CG1 4.07Å; L453-I615 HydrophobicContact CD2-CG2 4.1Å; I514-I615 HydrophobicContact CD1-CD1 4.02Å; I514-I615 HydrophobicContact CG2-CD1 4.05Å; H530-I615 PolarHBondContact O-N 3.44Å; I531-I615 CarbonylContact C-O 3.25Å; I531-I615 WeakPolarHBondContact CA-O 3.44Å; I531-I615 HydrophobicContact CG1-CB 4.1Å; I531-I615 HydrophobicContact CG1-CD1 4.19Å; I531-I615 HydrophobicContact CG1-CG2 4.17Å; I531-I615 HydrophobicContact CG2-CG2 4.39Å; G532-I615 PolarHBondContact N-O 3.41Å; P613-I615 WeakPolarHBondContact CB-O 3.37Å; I615-L617 HydrophobicContact CG2-CD2 3.93Å; I615-T645 CarbonylContact C-O 3.56Å; I615-T645 WeakPolarHBondContact CA-O 3.39Å
616	L	96.4	Very high	84.7	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.4	-177	-177.7	69.6	0	0	0	110.4	L618 L640 M641 T645 V646 M647	L616-L618 HydrophobicContact CD1-CD2 3.98Å; L616-L618 HydrophobicContact CD2-CD1 3.88Å; L616-L618 HydrophobicContact CD2-CD2 4.02Å; L616-L618 HydrophobicContact CD2-CG 4.05Å; L616-L618 HydrophobicContact CG-CD1 4.32Å; L616-L618 HydrophobicContact CG-CD2 3.85Å; L616-L618 HydrophobicContact CG-CG 3.93Å; L616-L640 HydrophobicContact CD1-CD1 4.22Å; L616-L640 HydrophobicContact CD1-CD2 3.93Å; L616-L640 HydrophobicContact CD1-CG 4.03Å; L616-L640 HydrophobicContact CD2-CD1 4.46Å; L616-L640 HydrophobicContact CD2-CD2 4.26Å; L616-L640 HydrophobicContact CD2-CG 3.77Å; L616-M641 HydrophobicContact CD2-CG 3.89Å; L616-T645 PolarHBondContact N-O 3.37Å; L616-V646 HydrophobicContact CB-CG2 4.31Å; L616-V646 HydrophobicContact CD2-CG1 4.22Å; L616-V646 HydrophobicContact CD2-CG2 4.15Å; L616-V646 WeakPolarHBondContact O-CA 3.12Å; L616-M647 PolarHBondContact O-N 3.23Å
617	L	95.7	Very high	83.8	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.8	178.4	-45.8	179.8	0	0	0	109.4	V498 L501 L502 I531 G532 T533 V534 I615 M647	V498-L617 HydrophobicContact CB-CD1 4.41Å; V498-L617 HydrophobicContact CG1-CB 4.09Å; V498-L617 HydrophobicContact CG1-CD1 3.9Å; V498-L617 HydrophobicContact CG2-CB 4.15Å; L501-L617 HydrophobicContact CB-CD1 3.87Å; L501-L617 HydrophobicContact CD1-CD1 4.16Å; L501-L617 HydrophobicContact CD1-CD2 3.8Å; L502-L617 HydrophobicContact CG-CD1 4.41Å; I531-L617 HydrophobicContact CG2-CD1 3.53Å; I531-L617 HydrophobicContact CG2-CG 3.72Å; G532-L617 PolarHBondContact O-N 2.8Å; T533-L617 WeakPolarHBondContact CA-O 3.43Å; T533-L617 HydrophobicContact CG2-CB 3.96Å; T533-L617 HydrophobicContact CG2-CD1 4.18Å; T533-L617 HydrophobicContact CG2-CG 4.35Å; V534-L617 PolarHBondContact N-O 3.48Å; I615-L617 HydrophobicContact CG2-CD2 3.93Å; L617-M647 WeakPolarHBondContact CA-O 3.42Å; L617-M647 HydrophobicContact CD2-CB 3.91Å; L617-M647 HydrophobicContact CD2-CE 4.26Å
618	L	93	Very high	82.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.1	-175.1	-59.7	176.7	0	0	0	109.1	V534 L616 L637 M641 V646 M647 I648 I649	V534-L618 HydrophobicContact CB-CD2 3.66Å; V534-L618 HydrophobicContact CG2-CD2 3.68Å; L616-L618 HydrophobicContact CD1-CD2 3.98Å; L616-L618 HydrophobicContact CD2-CD1 3.88Å; L616-L618 HydrophobicContact CD2-CD2 4.02Å; L616-L618 HydrophobicContact CD2-CG 4.05Å; L616-L618 HydrophobicContact CG-CD1 4.32Å; L616-L618 HydrophobicContact CG-CD2 3.85Å; L616-L618 HydrophobicContact CG-CG 3.93Å; L618-L637 HydrophobicContact CD1-CD2 4.29Å; L618-L637 HydrophobicContact CD2-CD2 3.94Å; L618-M641 HydrophobicContact CD1-CG 3.83Å; L618-M641 HydrophobicContact CD1-SD 3.79Å; L618-V646 HydrophobicContact CD1-CG1 3.85Å; L618-V646 HydrophobicContact CG-CG1 4.32Å; L618-M647 PolarHBondContact N-O 3.03Å; L618-I648 HydrophobicContact CB-CB 4.02Å; L618-I648 HydrophobicContact CB-CD1 3.77Å; L618-I648 HydrophobicContact CB-CG1 3.79Å; L618-I648 HydrophobicContact CD1-CB 4.49Å; L618-I648 HydrophobicContact CD1-CD1 3.77Å; L618-I648 HydrophobicContact CG-CD1 4.42Å; L618-I648 CarbonylContact O-C 3.58Å; L618-I648 WeakPolarHBondContact O-CA 3.32Å; L618-I649 PolarHBondContact O-N 3.49Å
619	D	88.7	Confident	82.2	Confident	20 Å²	20	42.6 Å²	42.6	11%	0.107	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	104	179.4	-159.2	0.4	0	0	0	110.4	S495 V534 N535 Q536 A621 I649	S495-D619 WeakPolarHBondContact CB-OD2 3.25Å; S495-D619 PolarHBondContact OG-OD1 2.79Å; S495-D619 PolarHBondContact OG-OD2 3.3Å; V534-D619 PolarHBondContact O-N 3.11Å; N535-D619 CarbonylContact C-O 3.54Å; Q536-D619 WeakPolarHBondContact CA-O 3.44Å; Q536-D619 WeakPolarHBondContact CB-O 3.43Å; Q536-D619 PolarHBondContact N-O 3.18Å; D619-A621 PolarHBondContact O-N 3.4Å; D619-I649 HydrophobicContact CB-CD1 4.11Å; D619-I649 VanDerWaalsContact CG-CD1 3.48Å; D619-I649 WeakPolarHBondContact OD1-CB 3.5Å; D619-I649 VanDerWaalsContact OD1-CD1 3.27Å; D619-I649 WeakPolarHBondContact OD1-CD1 3.37Å; D619-I649 WeakPolarHBondContact OD1-CG2 3.23Å
620	E	73.6	Confident	81.6	Confident	37 Å²	37	44.2 Å²	44.2	17%	0.173	25%	0.25	C	C	.	.	S	Bend	trans	44.1	35.3	174.9	-142.4	-177	154.2	0	0	116.3	Q536 T622 S623 I649 H651	Q536-E620 HydrophobicContact CB-CB 4.27Å; Q536-E620 HydrophobicContact CG-CB 4.11Å; Q536-E620 PolarHBondContact NE2-OE2 3.36Å; E620-T622 PolarHBondContact O-N 3.26Å; E620-S623 PolarHBondContact O-N 2.89Å; E620-S623 VanDerWaalsContact O-N 3.08Å; E620-S623 PolarHBondContact O-OG 3.17Å; E620-S623 WeakPolarHBondContact OE1-CB 3.34Å; E620-I649 PolarHBondContact N-O 2.93Å; E620-H651 VanDerWaalsContact CD-CD2 3.43Å; E620-H651 HydrophobicContact CG-CB 4.04Å; E620-H651 IonicContact OE1-CD2 2.77Å; E620-H651 IonicContact OE1-CG 2.95Å; E620-H651 IonicContact OE1-ND1 3.64Å; E620-H651 IonicContact OE2-CD2 3.66Å; E620-H651 PolarHBondContact OE2-CD2 3.46Å; E620-H651 IonicContact OE2-CE1 2.78Å; E620-H651 PolarHBondContact OE2-CE1 3.43Å; E620-H651 VanDerWaalsContact OE2-CE1 3.28Å; E620-H651 IonicContact OE2-CG 3.67Å; E620-H651 IonicContact OE2-ND1 3.4Å; E620-H651 IonicContact OE2-NE2 2.81Å; E620-H651 PolarHBondContact OE2-NE2 3.01Å
621	A	61.4	Low	81.2	Confident	4 Å²	4	49.3 Å²	49.3	3%	0.033	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	18.9	-165.9	0	0	0	0	0	117.2	V534 Q601 D619 V633 L637	V534-A621 HydrophobicContact CB-CB 4.4Å; V534-A621 HydrophobicContact CG1-CB 3.86Å; Q601-A621 VanDerWaalsContact CD-O 3.26Å; Q601-A621 PolarHBondContact NE2-O 3.47Å; Q601-A621 PolarHBondContact OE1-O 2.82Å; D619-A621 PolarHBondContact O-N 3.4Å; A621-V633 WeakPolarHBondContact O-CG1 3.46Å; A621-L637 HydrophobicContact CB-CD1 4.05Å; A621-L637 HydrophobicContact CB-CD2 4.36Å
622	T	63.8	Low	81	Confident	8 Å²	8	48.9 Å²	48.9	5%	0.049	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.7	9.3	176.9	44.2	0	0	0	0	113.2	E620 L625 V633 L637 R652	E620-T622 PolarHBondContact O-N 3.26Å; T622-L625 HydrophobicContact CG2-CD1 4.29Å; T622-V633 HydrophobicContact CG2-CB 4.36Å; T622-V633 HydrophobicContact CG2-CG1 3.67Å; T622-L637 HydrophobicContact CG2-CD1 3.97Å; T622-R652 PolarHBondContact O-NE 2.92Å; T622-R652 PolarHBondContact O-NH2 3.03Å; T622-R652 WeakPolarHBondContact OG1-CD 3.48Å; T622-R652 PolarHBondContact OG1-NE 3.11Å
623	S	58.1	Low	80.8	Confident	27 Å²	27	43.7 Å²	43.7	19%	0.189	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	142.6	174.8	61.8	0	0	0	0	112.1	Q536 E620 L625	Q536-S623 WeakPolarHBondContact CG-OG 3.34Å; Q536-S623 PolarHBondContact NE2-OG 3.35Å; E620-S623 PolarHBondContact O-N 2.89Å; E620-S623 VanDerWaalsContact O-N 3.08Å; E620-S623 PolarHBondContact O-OG 3.17Å; E620-S623 WeakPolarHBondContact OE1-CB 3.34Å; S623-L625 PolarHBondContact O-N 3.44Å
624	A	60.9	Low	80.4	Confident	108 Å²	108	45.2 Å²	45.2	89%	0.893	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	39.8	175.1	0	0	0	0	0	115.8
625	L	69.4	Low	80.2	Confident	27 Å²	27	43.2 Å²	43.2	14%	0.141	24%	0.242	C	C	.	.			trans	-98.6	156.1	170.3	-64.4	-178.2	0	0	0	112.3	T622 S623 E630 V633	T622-L625 HydrophobicContact CG2-CD1 4.29Å; S623-L625 PolarHBondContact O-N 3.44Å; L625-E630 HydrophobicContact CB-CB 4.01Å; L625-E630 HydrophobicContact CD1-CB 4.19Å; L625-V633 HydrophobicContact CD1-CB 4.1Å; L625-V633 HydrophobicContact CD1-CG1 4.34Å; L625-V633 HydrophobicContact CD1-CG2 4.05Å
626	D	74.9	Confident	79.9	Confident	80 Å²	80	43.1 Å²	43.1	43%	0.428	24%	0.242	S	C	.	.			trans	-74.4	150.8	157.5	58.3	-79.9	0	0	0	111	E628 N629 E630	D626-E628 VanDerWaalsContact C-N 3.28Å; D626-E628 PolarHBondContact O-N 2.89Å; D626-E628 VanDerWaalsContact O-N 3.16Å; D626-N629 VanDerWaalsContact CG-ND2 3.28Å; D626-N629 PolarHBondContact O-N 3.43Å; D626-N629 WeakPolarHBondContact OD1-CB 3.25Å; D626-N629 PolarHBondContact OD1-ND2 2.8Å; D626-N629 WeakPolarHBondContact OD2-CB 3.45Å; D626-N629 PolarHBondContact OD2-N 3.31Å; D626-N629 VanDerWaalsContact OD2-N 3.07Å; D626-N629 PolarHBondContact OD2-ND2 2.79Å; D626-E630 WeakPolarHBondContact O-CB 3.44Å; D626-E630 PolarHBondContact O-N 2.99Å
627	A	75.6	Confident	79.6	Confident	80 Å²	80	43.4 Å²	43.4	66%	0.661	24%	0.243	S	C	*	.	H	α-helix	trans	-61.6	-28	-168.4	0	0	0	0	0	115	F631	A627-F631 PolarHBondContact O-N 3.32Å
628	E	77.1	Confident	79.3	Confident	146 Å²	146	47.2 Å²	47.2	68%	0.682	26%	0.261	S	S	*	.	H	α-helix	trans	-75.3	-49.3	176.9	-170.1	-171	149.9	0	0	111.2	D626 E630 F631 L632	D626-E628 VanDerWaalsContact C-N 3.28Å; D626-E628 PolarHBondContact O-N 2.89Å; D626-E628 VanDerWaalsContact O-N 3.16Å; E628-E630 PolarHBondContact O-N 3.2Å; E628-F631 PolarHBondContact O-N 3.03Å; E628-L632 WeakPolarHBondContact O-CG 3.37Å; E628-L632 PolarHBondContact O-N 3.11Å
629	N	80.4	Confident	79.2	Confident	23 Å²	23	50.9 Å²	50.9	12%	0.123	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-36.2	172.6	-82.7	-83	0	0	0	111.7	R602 D626 L632 V633	R602-N629 PolarHBondContact NH2-OD1 2.74Å; D626-N629 VanDerWaalsContact CG-ND2 3.28Å; D626-N629 PolarHBondContact O-N 3.43Å; D626-N629 WeakPolarHBondContact OD1-CB 3.25Å; D626-N629 PolarHBondContact OD1-ND2 2.8Å; D626-N629 WeakPolarHBondContact OD2-CB 3.45Å; D626-N629 PolarHBondContact OD2-N 3.31Å; D626-N629 VanDerWaalsContact OD2-N 3.07Å; D626-N629 PolarHBondContact OD2-ND2 2.79Å; N629-L632 PolarHBondContact O-N 2.82Å; N629-V633 WeakPolarHBondContact O-CB 3.37Å; N629-V633 WeakPolarHBondContact O-CG2 3.31Å; N629-V633 PolarHBondContact O-N 3.46Å
630	E	81.4	Confident	79.3	Confident	59 Å²	59	50 Å²	50	28%	0.276	27%	0.27	S	S	.	.	H	α-helix	trans	-58	-51.3	176.7	-179.5	177.8	138.7	0	0	112.4	L625 D626 E628 L632 V633 Q634 R652	L625-E630 HydrophobicContact CB-CB 4.01Å; L625-E630 HydrophobicContact CD1-CB 4.19Å; D626-E630 WeakPolarHBondContact O-CB 3.44Å; D626-E630 PolarHBondContact O-N 2.99Å; E628-E630 PolarHBondContact O-N 3.2Å; E630-L632 PolarHBondContact O-N 3.35Å; E630-V633 PolarHBondContact O-N 3.23Å; E630-Q634 WeakPolarHBondContact O-CB 3.47Å; E630-Q634 PolarHBondContact O-N 2.97Å; E630-R652 IonicContact OE1-CZ 3.5Å; E630-R652 IonicContact OE1-NH1 3.47Å; E630-R652 PolarHBondContact OE1-NH1 3.04Å; E630-R652 IonicContact OE1-NH2 3.87Å; E630-R652 IonicContact OE2-CZ 2.93Å; E630-R652 IonicContact OE2-NH1 2.69Å; E630-R652 PolarHBondContact OE2-NH1 2.7Å; E630-R652 IonicContact OE2-NH2 2.99Å; E630-R652 PolarHBondContact OE2-NH2 3.09Å
631	F	84.9	Confident	80.2	Confident	141 Å²	141	49.4 Å²	49.4	62%	0.618	27%	0.268	S	S	*	.	H	α-helix	trans	-59.7	-46.2	178	179.7	-96.8	0	0	0	111.6	A627 E628 V633 Q634 E635	A627-F631 PolarHBondContact O-N 3.32Å; E628-F631 PolarHBondContact O-N 3.03Å; F631-V633 VanDerWaalsContact C-N 3.32Å; F631-V633 PolarHBondContact O-N 3.24Å; F631-Q634 PolarHBondContact O-N 3.24Å; F631-E635 PolarHBondContact O-N 3.43Å
632	L	88	Confident	81.6	Confident	44 Å²	44	55.9 Å²	55.9	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-67.8	-29	-179.4	-65.7	173.5	0	0	0	113.5	N572 E628 N629 E630 A636	N572-L632 HydrophobicContact CB-CB 4.4Å; N572-L632 PolarHBondContact ND2-O 2.91Å; E628-L632 WeakPolarHBondContact O-CG 3.37Å; E628-L632 PolarHBondContact O-N 3.11Å; N629-L632 PolarHBondContact O-N 2.82Å; E630-L632 PolarHBondContact O-N 3.35Å; L632-A636 VanDerWaalsContact O-CB 3.31Å; L632-A636 WeakPolarHBondContact O-CB 3.48Å; L632-A636 PolarHBondContact O-N 2.83Å
633	V	88.7	Confident	82.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-76.2	-44	172.1	170.1	0	0	0	0	110.9	Q601 R602 I605 A621 T622 L625 N629 E630 F631 A636 L637	Q601-V633 HydrophobicContact CB-CG1 4.32Å; Q601-V633 HydrophobicContact CB-CG2 4.22Å; R602-V633 HydrophobicContact CG-CG2 3.84Å; I605-V633 HydrophobicContact CD1-CG1 4.09Å; A621-V633 WeakPolarHBondContact O-CG1 3.46Å; T622-V633 HydrophobicContact CG2-CB 4.36Å; T622-V633 HydrophobicContact CG2-CG1 3.67Å; L625-V633 HydrophobicContact CD1-CB 4.1Å; L625-V633 HydrophobicContact CD1-CG1 4.34Å; L625-V633 HydrophobicContact CD1-CG2 4.05Å; N629-V633 WeakPolarHBondContact O-CB 3.37Å; N629-V633 WeakPolarHBondContact O-CG2 3.31Å; N629-V633 PolarHBondContact O-N 3.46Å; E630-V633 PolarHBondContact O-N 3.23Å; F631-V633 VanDerWaalsContact C-N 3.32Å; F631-V633 PolarHBondContact O-N 3.24Å; V633-A636 PolarHBondContact O-N 3.46Å; V633-L637 HydrophobicContact CG1-CD1 3.96Å; V633-L637 HydrophobicContact CG1-CG 4.31Å; V633-L637 WeakPolarHBondContact O-CG 3.38Å; V633-L637 PolarHBondContact O-N 3.27Å
634	Q	86.1	Confident	84.6	Confident	36 Å²	36	59.9 Å²	59.9	17%	0.168	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-46.8	179.3	179.7	62.1	30.4	0	0	111.5	E630 F631 A636 L637 E638	E630-Q634 WeakPolarHBondContact O-CB 3.47Å; E630-Q634 PolarHBondContact O-N 2.97Å; F631-Q634 PolarHBondContact O-N 3.24Å; Q634-A636 VanDerWaalsContact C-N 3.32Å; Q634-A636 PolarHBondContact O-N 3.35Å; Q634-L637 WeakPolarHBondContact O-CB 3.27Å; Q634-L637 PolarHBondContact O-N 2.92Å; Q634-E638 PolarHBondContact NE2-OE1 2.91Å; Q634-E638 WeakPolarHBondContact O-CG 3.32Å; Q634-E638 PolarHBondContact O-N 2.86Å
635	E	88.6	Confident	86.3	Confident	65 Å²	65	54.8 Å²	54.8	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-39.9	176.2	-166.8	-160	-168.5	0	0	111.9	N572 F631 E638 R639	N572-E635 PolarHBondContact ND2-OE2 2.98Å; F631-E635 PolarHBondContact O-N 3.43Å; E635-E638 PolarHBondContact O-N 3.15Å; E635-R639 VanDerWaalsContact O-CG 3.29Å; E635-R639 WeakPolarHBondContact O-CG 3.49Å; E635-R639 PolarHBondContact O-N 2.86Å; E635-R639 VanDerWaalsContact O-N 3.09Å; E635-R639 IonicContact OE1-CZ 3.22Å; E635-R639 IonicContact OE1-NE 3.55Å; E635-R639 IonicContact OE1-NH2 3.65Å; E635-R639 PolarHBondContact OE1-NH2 3.44Å; E635-R639 IonicContact OE2-CZ 3.8Å; E635-R639 IonicContact OE2-NH2 2.66Å; E635-R639 PolarHBondContact OE2-NH2 2.77Å
636	A	91.1	Very high	87.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-34.6	176.6	0	0	0	0	0	112.7	I605 L632 V633 Q634 L640	I605-A636 HydrophobicContact CD1-CB 4.06Å; I605-A636 HydrophobicContact CG2-CB 4.1Å; L632-A636 VanDerWaalsContact O-CB 3.31Å; L632-A636 WeakPolarHBondContact O-CB 3.48Å; L632-A636 PolarHBondContact O-N 2.83Å; V633-A636 PolarHBondContact O-N 3.46Å; Q634-A636 VanDerWaalsContact C-N 3.32Å; Q634-A636 PolarHBondContact O-N 3.35Å; A636-L640 WeakPolarHBondContact O-CB 3.44Å; A636-L640 PolarHBondContact O-N 3.01Å; A636-L640 VanDerWaalsContact O-N 3.16Å
637	L	89.9	Confident	88.6	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-45	172.2	-73	170.5	0	0	0	111.4	I605 L618 A621 T622 V633 Q634 R639 L640 M641	I605-L637 HydrophobicContact CD1-CD2 3.73Å; I605-L637 HydrophobicContact CD1-CG 3.77Å; I605-L637 HydrophobicContact CG1-CD2 3.9Å; I605-L637 HydrophobicContact CG1-CG 4.48Å; L618-L637 HydrophobicContact CD1-CD2 4.29Å; L618-L637 HydrophobicContact CD2-CD2 3.94Å; A621-L637 HydrophobicContact CB-CD1 4.05Å; A621-L637 HydrophobicContact CB-CD2 4.36Å; T622-L637 HydrophobicContact CG2-CD1 3.97Å; V633-L637 HydrophobicContact CG1-CD1 3.96Å; V633-L637 HydrophobicContact CG1-CG 4.31Å; V633-L637 WeakPolarHBondContact O-CG 3.38Å; V633-L637 PolarHBondContact O-N 3.27Å; Q634-L637 WeakPolarHBondContact O-CB 3.27Å; Q634-L637 PolarHBondContact O-N 2.92Å; L637-R639 VanDerWaalsContact C-N 3.33Å; L637-R639 PolarHBondContact O-N 2.76Å; L637-L640 CarbonylContact O-C 3.51Å; L637-L640 WeakPolarHBondContact O-CA 3.45Å; L637-L640 PolarHBondContact O-N 3.44Å; L637-M641 VanDerWaalsContact O-CG 3.24Å; L637-M641 WeakPolarHBondContact O-CG 3.46Å; L637-M641 PolarHBondContact O-N 3.46Å
638	E	89.3	Confident	89.4	Confident	81 Å²	81	46.5 Å²	46.5	38%	0.379	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-41.8	178.6	-74.3	172.4	-169	0	0	111.8	Q634 E635 L640 M641 Q642	Q634-E638 PolarHBondContact NE2-OE1 2.91Å; Q634-E638 WeakPolarHBondContact O-CG 3.32Å; Q634-E638 PolarHBondContact O-N 2.86Å; E635-E638 PolarHBondContact O-N 3.15Å; E638-L640 PolarHBondContact O-N 3.38Å; E638-M641 PolarHBondContact O-N 3.35Å; E638-Q642 PolarHBondContact O-N 2.84Å
639	R	91.1	Very high	90.1	Very high	78 Å²	78	39.6 Å²	39.6	29%	0.294	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-37.7	171.5	-65.6	166.1	-175.6	173.9	0.8	112.9	V570 N572 E635 L637	V570-R639 HydrophobicContact CG1-CB 4.05Å; V570-R639 WeakPolarHBondContact O-CD 3.47Å; V570-R639 PolarHBondContact O-NH1 3.23Å; N572-R639 PolarHBondContact OD1-NH1 3.42Å; N572-R639 PolarHBondContact OD1-NH2 2.7Å; E635-R639 VanDerWaalsContact O-CG 3.29Å; E635-R639 WeakPolarHBondContact O-CG 3.49Å; E635-R639 PolarHBondContact O-N 2.86Å; E635-R639 VanDerWaalsContact O-N 3.09Å; E635-R639 IonicContact OE1-CZ 3.22Å; E635-R639 IonicContact OE1-NE 3.55Å; E635-R639 IonicContact OE1-NH2 3.65Å; E635-R639 PolarHBondContact OE1-NH2 3.44Å; E635-R639 IonicContact OE2-CZ 3.8Å; E635-R639 IonicContact OE2-NH2 2.66Å; E635-R639 PolarHBondContact OE2-NH2 2.77Å; L637-R639 VanDerWaalsContact C-N 3.33Å; L637-R639 PolarHBondContact O-N 2.76Å
640	L	91.9	Very high	90.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-73.3	-26.5	176.4	172.8	60.7	0	0	0	112.6	V534 I605 A608 L609 L616 A636 L637 E638 R644	V534-L640 HydrophobicContact CG2-CD2 4.03Å; I605-L640 HydrophobicContact CB-CD2 4.5Å; I605-L640 HydrophobicContact CG1-CD2 4.41Å; I605-L640 HydrophobicContact CG2-CB 4.37Å; I605-L640 HydrophobicContact CG2-CD2 4.04Å; A608-L640 HydrophobicContact CB-CD1 4.26Å; A608-L640 HydrophobicContact CB-CD2 3.81Å; L609-L640 HydrophobicContact CD2-CB 4.03Å; L609-L640 HydrophobicContact CD2-CD1 3.7Å; L609-L640 HydrophobicContact CD2-CG 4.41Å; L609-L640 HydrophobicContact CG-CB 4.41Å; L609-L640 HydrophobicContact CG-CD1 3.94Å; L616-L640 HydrophobicContact CD1-CD1 4.22Å; L616-L640 HydrophobicContact CD1-CD2 3.93Å; L616-L640 HydrophobicContact CD1-CG 4.03Å; L616-L640 HydrophobicContact CD2-CD1 4.46Å; L616-L640 HydrophobicContact CD2-CD2 4.26Å; L616-L640 HydrophobicContact CD2-CG 3.77Å; A636-L640 WeakPolarHBondContact O-CB 3.44Å; A636-L640 PolarHBondContact O-N 3.01Å; A636-L640 VanDerWaalsContact O-N 3.16Å; L637-L640 CarbonylContact O-C 3.51Å; L637-L640 WeakPolarHBondContact O-CA 3.45Å; L637-L640 PolarHBondContact O-N 3.44Å; E638-L640 PolarHBondContact O-N 3.38Å; L640-R644 WeakPolarHBondContact O-CD 3.3Å; L640-R644 PolarHBondContact O-NH1 2.92Å
641	M	91.9	Very high	90.1	Very high	26 Å²	26	39.1 Å²	39.1	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-77.3	-25.5	179.9	-73.7	169.9	55.6	0	0	113.7	I483 L616 L618 L637 E638 G643 R644 V646	I483-M641 HydrophobicContact CB-CE 4.46Å; I483-M641 HydrophobicContact CD1-CE 3.67Å; I483-M641 HydrophobicContact CG1-CE 3.93Å; I483-M641 HydrophobicContact CG2-CE 3.66Å; L616-M641 HydrophobicContact CD2-CG 3.89Å; L618-M641 HydrophobicContact CD1-CG 3.83Å; L618-M641 HydrophobicContact CD1-SD 3.79Å; L637-M641 VanDerWaalsContact O-CG 3.24Å; L637-M641 WeakPolarHBondContact O-CG 3.46Å; L637-M641 PolarHBondContact O-N 3.46Å; E638-M641 PolarHBondContact O-N 3.35Å; M641-G643 PolarHBondContact O-N 3.05Å; M641-R644 PolarHBondContact O-N 2.64Å; M641-V646 HydrophobicContact CB-CG2 4Å; M641-V646 HydrophobicContact CE-CG1 4.25Å; M641-V646 HydrophobicContact CG-CG1 4.08Å; M641-V646 HydrophobicContact CG-CG2 3.98Å
642	Q	90.9	Very high	89.6	Confident	139 Å²	139	34.4 Å²	34.4	65%	0.65	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	127	-177.5	-72.5	173.3	13.1	0	0	113.1	E638 R644	E638-Q642 PolarHBondContact O-N 2.84Å; Q642-R644 PolarHBondContact O-NH1 3.13Å; Q642-R644 VanDerWaalsContact O-NH1 3.09Å
643	G	89.6	Confident	89	Confident	83 Å²	83	33.5 Å²	33.5	86%	0.856	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	20.9	172.4	0	0	0	0	0	115.7	M641	M641-G643 PolarHBondContact O-N 3.05Å
644	R	94.9	Very high	88.3	Confident	36 Å²	36	36.3 Å²	36.3	14%	0.136	19%	0.194	C	C	.	.	S	Bend	trans	-131.2	155.2	-177.2	-61.7	-179.4	-178.7	80.1	13.1	110.5	N612 P613 L640 M641 Q642	N612-R644 PolarHBondContact OD1-NH2 2.93Å; P613-R644 WeakPolarHBondContact O-CD 3.16Å; P613-R644 WeakPolarHBondContact O-CG 3.25Å; P613-R644 PolarHBondContact O-NE 2.74Å; L640-R644 WeakPolarHBondContact O-CD 3.3Å; L640-R644 PolarHBondContact O-NH1 2.92Å; M641-R644 PolarHBondContact O-N 2.64Å; Q642-R644 PolarHBondContact O-NH1 3.13Å; Q642-R644 VanDerWaalsContact O-NH1 3.09Å
645	T	96.9	Very high	88	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.9	163.9	-50.4	0	0	0	0	108.1	G451 V478 G481 K614 I615 L616	G451-T645 VanDerWaalsContact O-CB 3.29Å; G451-T645 WeakPolarHBondContact O-CB 3.44Å; G451-T645 WeakPolarHBondContact O-CG2 3.38Å; G451-T645 PolarHBondContact O-OG1 3.09Å; V478-T645 HydrophobicContact CB-CG2 4.42Å; V478-T645 HydrophobicContact CG1-CG2 3.58Å; G481-T645 PolarHBondContact N-OG1 2.84Å; K614-T645 PolarHBondContact O-N 3.22Å; I615-T645 CarbonylContact C-O 3.56Å; I615-T645 WeakPolarHBondContact CA-O 3.39Å; L616-T645 PolarHBondContact N-O 3.37Å
646	V	96.1	Very high	87.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.7	-178	-170.7	0	0	0	0	110.5	T482 I483 M484 L616 L618 M641 I648	T482-V646 PolarHBondContact O-N 3.08Å; I483-V646 HydrophobicContact CB-CB 4.42Å; I483-V646 HydrophobicContact CG1-CB 4.11Å; I483-V646 HydrophobicContact CG1-CG2 4.09Å; I483-V646 HydrophobicContact CG2-CB 4.35Å; M484-V646 PolarHBondContact N-O 2.91Å; L616-V646 HydrophobicContact CB-CG2 4.31Å; L616-V646 HydrophobicContact CD2-CG1 4.22Å; L616-V646 HydrophobicContact CD2-CG2 4.15Å; L616-V646 WeakPolarHBondContact O-CA 3.12Å; L618-V646 HydrophobicContact CD1-CG1 3.85Å; L618-V646 HydrophobicContact CG-CG1 4.32Å; M641-V646 HydrophobicContact CB-CG2 4Å; M641-V646 HydrophobicContact CE-CG1 4.25Å; M641-V646 HydrophobicContact CG-CG1 4.08Å; M641-V646 HydrophobicContact CG-CG2 3.98Å; V646-I648 HydrophobicContact CG1-CB 4.38Å
647	M	95.5	Very high	87.2	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.4	164.7	-168.6	-169.6	78.8	0	0	108.4	V486 L497 V498 L501 L616 L617 L618	V486-M647 HydrophobicContact CG2-CG 3.83Å; V486-M647 HydrophobicContact CG2-SD 4.24Å; L497-M647 HydrophobicContact CB-CE 3.72Å; L497-M647 HydrophobicContact CB-SD 4.26Å; L497-M647 HydrophobicContact CD1-CE 4.34Å; L497-M647 HydrophobicContact CD1-SD 4.12Å; V498-M647 HydrophobicContact CG2-CE 3.71Å; L501-M647 HydrophobicContact CD1-CE 3.77Å; L501-M647 HydrophobicContact CD1-SD 3.76Å; L616-M647 PolarHBondContact O-N 3.23Å; L617-M647 WeakPolarHBondContact CA-O 3.42Å; L617-M647 HydrophobicContact CD2-CB 3.91Å; L617-M647 HydrophobicContact CD2-CE 4.26Å; L618-M647 PolarHBondContact N-O 3.03Å
648	I	93.3	Very high	86.9	Confident	12 Å²	12	43.7 Å²	43.7	6%	0.062	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.9	-177.3	-178.6	152.7	0	0	0	111.6	I483 M484 A485 V486 L618 V646 A650 T655	I483-I648 HydrophobicContact CG2-CG2 4.3Å; M484-I648 PolarHBondContact O-N 2.72Å; A485-I648 CarbonylContact C-O 3.6Å; A485-I648 WeakPolarHBondContact CA-O 3.26Å; A485-I648 HydrophobicContact CB-CG2 4.27Å; V486-I648 PolarHBondContact N-O 3Å; L618-I648 HydrophobicContact CB-CB 4.02Å; L618-I648 HydrophobicContact CB-CD1 3.77Å; L618-I648 HydrophobicContact CB-CG1 3.79Å; L618-I648 HydrophobicContact CD1-CB 4.49Å; L618-I648 HydrophobicContact CD1-CD1 3.77Å; L618-I648 HydrophobicContact CG-CD1 4.42Å; L618-I648 CarbonylContact O-C 3.58Å; L618-I648 WeakPolarHBondContact O-CA 3.32Å; V646-I648 HydrophobicContact CG1-CB 4.38Å; I648-A650 PolarHBondContact O-N 3.06Å; I648-T655 HydrophobicContact CD1-CG2 3.33Å; I648-T655 HydrophobicContact CG1-CG2 3.89Å; I648-T655 HydrophobicContact CG2-CG2 4.25Å
649	I	91.8	Very high	86.9	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	105.6	170.8	-63.6	163.4	0	0	0	107.2	K494 V498 L618 D619 E620	K494-I649 VanDerWaalsContact C-CD1 3.45Å; K494-I649 HydrophobicContact CB-CD1 4.12Å; K494-I649 HydrophobicContact CB-CG1 4.09Å; K494-I649 HydrophobicContact CB-CG2 3.62Å; K494-I649 HydrophobicContact CD-CG2 3.93Å; K494-I649 HydrophobicContact CG-CG2 4.36Å; K494-I649 WeakPolarHBondContact O-CD1 3.46Å; V498-I649 HydrophobicContact CG2-CD1 3.65Å; L618-I649 PolarHBondContact O-N 3.49Å; D619-I649 HydrophobicContact CB-CD1 4.11Å; D619-I649 VanDerWaalsContact CG-CD1 3.48Å; D619-I649 WeakPolarHBondContact OD1-CB 3.5Å; D619-I649 VanDerWaalsContact OD1-CD1 3.27Å; D619-I649 WeakPolarHBondContact OD1-CD1 3.37Å; D619-I649 WeakPolarHBondContact OD1-CG2 3.23Å; E620-I649 PolarHBondContact N-O 2.93Å
650	A	84.3	Confident	87	Confident	3 Å²	3	40.4 Å²	40.4	3%	0.025	22%	0.222	C	C	.	.			trans	-109.7	123.9	-164	0	0	0	0	0	111.7	A485 V486 V487 I648 T655 I656	A485-A650 HydrophobicContact CB-CB 4.12Å; V486-A650 PolarHBondContact O-N 2.82Å; V487-A650 HydrophobicContact CG1-CB 4.31Å; I648-A650 PolarHBondContact O-N 3.06Å; A650-T655 HydrophobicContact CB-CG2 4.17Å; A650-I656 HydrophobicContact CB-CD1 4.16Å; A650-I656 HydrophobicContact CB-CG1 3.5Å; A650-I656 VanDerWaalsContact CB-CG1 3.5Å
651	H	78.3	Confident	87.1	Confident	70 Å²	70	42 Å²	42	32%	0.324	23%	0.234	S	C	.	.			trans	-112	2.1	171.3	-73.8	-127.4	0	0	0	112.8	E620 Q694	E620-H651 VanDerWaalsContact CD-CD2 3.43Å; E620-H651 HydrophobicContact CG-CB 4.04Å; E620-H651 IonicContact OE1-CD2 2.77Å; E620-H651 IonicContact OE1-CG 2.95Å; E620-H651 IonicContact OE1-ND1 3.64Å; E620-H651 IonicContact OE2-CD2 3.66Å; E620-H651 PolarHBondContact OE2-CD2 3.46Å; E620-H651 IonicContact OE2-CE1 2.78Å; E620-H651 PolarHBondContact OE2-CE1 3.43Å; E620-H651 VanDerWaalsContact OE2-CE1 3.28Å; E620-H651 IonicContact OE2-CG 3.67Å; E620-H651 IonicContact OE2-ND1 3.4Å; E620-H651 IonicContact OE2-NE2 2.81Å; E620-H651 PolarHBondContact OE2-NE2 3.01Å; H651-Q694 PolarHBondContact O-NE2 3.07Å
652	R	74.3	Confident	87.2	Confident	41 Å²	41	40.8 Å²	40.8	16%	0.155	23%	0.228	C	C	.	.	S	Bend	trans	-118.2	129.3	-175.2	-74.7	167.4	165.9	-96.1	2.3	111.6	T622 E630 S654 T655 I656	T622-R652 PolarHBondContact O-NE 2.92Å; T622-R652 PolarHBondContact O-NH2 3.03Å; T622-R652 WeakPolarHBondContact OG1-CD 3.48Å; T622-R652 PolarHBondContact OG1-NE 3.11Å; E630-R652 IonicContact OE1-CZ 3.5Å; E630-R652 IonicContact OE1-NH1 3.47Å; E630-R652 PolarHBondContact OE1-NH1 3.04Å; E630-R652 IonicContact OE1-NH2 3.87Å; E630-R652 IonicContact OE2-CZ 2.93Å; E630-R652 IonicContact OE2-NH1 2.69Å; E630-R652 PolarHBondContact OE2-NH1 2.7Å; E630-R652 IonicContact OE2-NH2 2.99Å; E630-R652 PolarHBondContact OE2-NH2 3.09Å; R652-S654 VanDerWaalsContact C-N 3.27Å; R652-S654 PolarHBondContact O-N 3.3Å; R652-T655 WeakPolarHBondContact O-CB 3.41Å; R652-T655 PolarHBondContact O-N 3.11Å; R652-I656 WeakPolarHBondContact O-CD1 3.39Å; R652-I656 VanDerWaalsContact O-CG1 3.28Å; R652-I656 WeakPolarHBondContact O-CG1 3.44Å; R652-I656 PolarHBondContact O-N 3.3Å; R652-I656 VanDerWaalsContact O-N 3.14Å
653	L	73.8	Confident	87.4	Confident	25 Å²	25	34.1 Å²	34.1	13%	0.131	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-30.1	-179.2	-98.1	153.1	0	0	0	114.5	K657 M691 Q694 A695	L653-K657 WeakPolarHBondContact O-CB 3.26Å; L653-K657 WeakPolarHBondContact O-CD 3.4Å; L653-K657 WeakPolarHBondContact O-CG 3.44Å; L653-K657 PolarHBondContact O-N 2.69Å; L653-K657 VanDerWaalsContact O-N 3.12Å; L653-M691 HydrophobicContact CD2-CB 4.32Å; L653-M691 HydrophobicContact CD2-CG 4.32Å; L653-M691 HydrophobicContact CD2-SD 3.58Å; L653-M691 VanDerWaalsContact CD2-SD 3.58Å; L653-M691 HydrophobicContact CG-SD 4.05Å; L653-Q694 HydrophobicContact CD1-CB 4.09Å; L653-A695 HydrophobicContact CD1-CB 3.95Å
654	S	74.3	Confident	87.5	Confident	60 Å²	60	30.2 Å²	30.2	42%	0.42	16%	0.156	S	C	.	.	H	α-helix	trans	-65.2	-53.2	174.4	46.6	0	0	0	0	111.7	R652 I656 K657 N658	R652-S654 VanDerWaalsContact C-N 3.27Å; R652-S654 PolarHBondContact O-N 3.3Å; S654-I656 VanDerWaalsContact C-N 3.26Å; S654-I656 PolarHBondContact O-N 3.41Å; S654-K657 PolarHBondContact O-N 2.73Å; S654-N658 PolarHBondContact O-N 2.91Å
655	T	79.5	Confident	87.4	Confident	16 Å²	16	28.5 Å²	28.5	10%	0.098	15%	0.15	C	C	.	.	H	α-helix	trans	-56.5	-39.1	177.2	-46	0	0	0	0	112.3	I648 A650 R652	I648-T655 HydrophobicContact CD1-CG2 3.33Å; I648-T655 HydrophobicContact CG1-CG2 3.89Å; I648-T655 HydrophobicContact CG2-CG2 4.25Å; A650-T655 HydrophobicContact CB-CG2 4.17Å; R652-T655 WeakPolarHBondContact O-CB 3.41Å; R652-T655 PolarHBondContact O-N 3.11Å
656	I	83.8	Confident	87	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-73	-37.9	-178.6	-63.6	164.5	0	0	0	111.8	V487 A650 R652 S654 N658 A659 V662 P676 F687 M691	V487-I656 HydrophobicContact CG1-CD1 3.66Å; V487-I656 HydrophobicContact CG1-CG1 3.87Å; A650-I656 HydrophobicContact CB-CD1 4.16Å; A650-I656 HydrophobicContact CB-CG1 3.5Å; A650-I656 VanDerWaalsContact CB-CG1 3.5Å; R652-I656 WeakPolarHBondContact O-CD1 3.39Å; R652-I656 VanDerWaalsContact O-CG1 3.28Å; R652-I656 WeakPolarHBondContact O-CG1 3.44Å; R652-I656 PolarHBondContact O-N 3.3Å; R652-I656 VanDerWaalsContact O-N 3.14Å; S654-I656 VanDerWaalsContact C-N 3.26Å; S654-I656 PolarHBondContact O-N 3.41Å; I656-N658 VanDerWaalsContact C-N 3.28Å; I656-N658 PolarHBondContact O-N 2.89Å; I656-A659 PolarHBondContact O-N 3.32Å; I656-V662 HydrophobicContact CG2-CG1 4.47Å; I656-V662 HydrophobicContact CG2-CG2 4.04Å; I656-P676 WeakPolarHBondContact O-CG 3.31Å; I656-F687 HydrophobicContact CG2-CE2 3.67Å; I656-F687 HydrophobicContact CG2-CZ 3.47Å; I656-F687 VanDerWaalsContact CG2-CZ 3.47Å; I656-M691 HydrophobicContact CD1-CE 3.77Å; I656-M691 HydrophobicContact CD1-SD 3.91Å; I656-M691 HydrophobicContact CG2-SD 4.12Å
657	K	80.6	Confident	86.3	Confident	138 Å²	138	36.3 Å²	36.3	60%	0.6	19%	0.187	S	C	*	.	H	α-helix	trans	-67.3	-27.8	177.9	-77.9	171.1	179.9	180	0	113.3	L653 S654	L653-K657 WeakPolarHBondContact O-CB 3.26Å; L653-K657 WeakPolarHBondContact O-CD 3.4Å; L653-K657 WeakPolarHBondContact O-CG 3.44Å; L653-K657 PolarHBondContact O-N 2.69Å; L653-K657 VanDerWaalsContact O-N 3.12Å; S654-K657 PolarHBondContact O-N 2.73Å
658	N	82.9	Confident	85.9	Confident	105 Å²	105	41.2 Å²	41.2	56%	0.561	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	9.4	-177	-64.3	3.4	0	0	0	113.3	S654 I656	S654-N658 PolarHBondContact O-N 2.91Å; I656-N658 VanDerWaalsContact C-N 3.28Å; I656-N658 PolarHBondContact O-N 2.89Å
659	A	89.8	Confident	85.8	Confident	7 Å²	7	46.7 Å²	46.7	6%	0.058	23%	0.225	C	C	.	.	S	Bend	trans	-94.3	140.9	177.5	0	0	0	0	0	111.5	I483 A485 I656 S661 P676	I483-A659 HydrophobicContact CG2-CB 4.01Å; A485-A659 HydrophobicContact CB-CB 3.7Å; I656-A659 PolarHBondContact O-N 3.32Å; A659-S661 PolarHBondContact O-N 2.96Å; A659-P676 WeakPolarHBondContact O-CD 3.28Å; A659-P676 VanDerWaalsContact O-CG 3.28Å; A659-P676 WeakPolarHBondContact O-CG 3.3Å
660	D	92.9	Very high	85.9	Confident	82 Å²	82	48.1 Å²	48.1	44%	0.439	23%	0.234	S	C	.	.	S	Bend	trans	-64.3	-28	177.4	-58.7	-60.5	0	0	0	112.1	T482 I483	T482-D660 WeakPolarHBondContact CA-OD2 3.32Å; I483-D660 PolarHBondContact N-OD2 2.92Å; I483-D660 PolarHBondContact O-N 3.46Å
661	S	93.6	Very high	86.1	Confident	34 Å²	34	50.4 Å²	50.4	24%	0.238	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	155.2	175.5	-72.6	0	0	0	0	111.6	I483 M484 A485 A659 G674	I483-S661 PolarHBondContact O-N 3.46Å; M484-S661 WeakPolarHBondContact CA-O 3.35Å; A485-S661 PolarHBondContact N-O 3.01Å; A659-S661 PolarHBondContact O-N 2.96Å; S661-G674 WeakPolarHBondContact CA-O 3.42Å
662	V	94.3	Very high	86.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.2	176.6	-168	0	0	0	0	109.7	A485 V487 I656 C673 G674 P676 L679 F687	A485-V662 HydrophobicContact CB-CG1 4.32Å; A485-V662 HydrophobicContact CB-CG2 4.4Å; A485-V662 CarbonylContact O-C 3.51Å; A485-V662 VanDerWaalsContact O-CA 3.29Å; A485-V662 WeakPolarHBondContact O-CA 3.4Å; A485-V662 WeakPolarHBondContact O-CG1 3.39Å; V487-V662 HydrophobicContact CB-CG1 4.44Å; V487-V662 HydrophobicContact CG1-CG1 3.9Å; V487-V662 HydrophobicContact CG2-CG1 3.67Å; I656-V662 HydrophobicContact CG2-CG1 4.47Å; I656-V662 HydrophobicContact CG2-CG2 4.04Å; V662-C673 VanDerWaalsContact O-CA 3.3Å; V662-C673 WeakPolarHBondContact O-CA 3.4Å; V662-G674 PolarHBondContact N-O 3.5Å; V662-G674 PolarHBondContact O-N 2.91Å; V662-P676 HydrophobicContact CG2-CB 4.01Å; V662-P676 HydrophobicContact CG2-CG 3.69Å; V662-L679 HydrophobicContact CB-CD1 4.03Å; V662-F687 HydrophobicContact CB-CE2 4.38Å; V662-F687 HydrophobicContact CG1-CD2 4.08Å; V662-F687 HydrophobicContact CG1-CE2 3.7Å; V662-F687 HydrophobicContact CG1-CZ 4.28Å; V662-F687 HydrophobicContact CG2-CE2 4.35Å; V662-F687 HydrophobicContact CG2-CZ 4.11Å
663	A	94.3	Very high	87.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.5	169.4	0	0	0	0	0	110.2	L476 M484 A485 V486 V487 V670	L476-A663 HydrophobicContact CD1-CB 3.56Å; M484-A663 HydrophobicContact SD-CB 4Å; A485-A663 PolarHBondContact O-N 2.89Å; V486-A663 WeakPolarHBondContact CA-O 3.43Å; V487-A663 PolarHBondContact N-O 3.18Å; A663-V670 HydrophobicContact CB-CG1 4.4Å
664	V	93.1	Very high	88.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.6	177.8	-172	0	0	0	0	109.6	V487 V670 A671 E672 L686 F687 L690	V487-V664 HydrophobicContact CG2-CB 4.26Å; V487-V664 HydrophobicContact CG2-CG1 4.36Å; V487-V664 HydrophobicContact CG2-CG2 3.81Å; V487-V664 CarbonylContact O-C 3.57Å; V487-V664 WeakPolarHBondContact O-CA 3.46Å; V664-V670 CarbonylContact O-C 3.5Å; V664-V670 WeakPolarHBondContact O-CA 3.46Å; V664-A671 PolarHBondContact O-N 2.88Å; V664-E672 HydrophobicContact CB-CB 4.11Å; V664-E672 HydrophobicContact CG2-CB 3.89Å; V664-E672 PolarHBondContact N-O 3.45Å; V664-L686 HydrophobicContact CG1-CB 4.42Å; V664-L686 HydrophobicContact CG1-CD2 3.84Å; V664-L686 HydrophobicContact CG1-CG 4.05Å; V664-F687 HydrophobicContact CG2-CB 3.74Å; V664-F687 HydrophobicContact CG2-CD2 4.05Å; V664-F687 HydrophobicContact CG2-CG 4.29Å; V664-L690 HydrophobicContact CG1-CD1 3.8Å
665	L	92	Very high	89.2	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	123	170.2	-69.7	176.9	0	0	0	110.8	F471 L474 V486 V487 G488 P489 K494 L497 R669 V670	F471-L665 HydrophobicContact CE1-CD1 4.41Å; L474-L665 HydrophobicContact CD1-CD2 3.7Å; V486-L665 HydrophobicContact CG1-CD1 3.61Å; V486-L665 HydrophobicContact CG1-CG 3.95Å; V487-L665 PolarHBondContact O-N 2.84Å; G488-L665 WeakPolarHBondContact CA-O 3.38Å; P489-L665 WeakPolarHBondContact CD-O 3.23Å; K494-L665 HydrophobicContact CG-CD1 4.16Å; L497-L665 HydrophobicContact CD1-CD1 4.07Å; L497-L665 HydrophobicContact CG-CD1 4.49Å; L665-R669 WeakPolarHBondContact CA-O 3.33Å; L665-V670 HydrophobicContact CD2-CG2 3.85Å
666	D	88.1	Confident	89.6	Confident	41 Å²	41	51.6 Å²	51.6	22%	0.219	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.4	168.2	-175.3	35.9	0	0	0	110.4	R668 R669 A671 L686	D666-R668 PolarHBondContact O-N 3.14Å; D666-R669 PolarHBondContact N-O 3.21Å; D666-R669 VanDerWaalsContact O-CG 3.27Å; D666-R669 WeakPolarHBondContact O-CG 3.19Å; D666-R669 PolarHBondContact O-N 2.99Å; D666-A671 HydrophobicContact CB-CB 4.19Å; D666-L686 HydrophobicContact CB-CD2 3.4Å
667	Q	82.6	Confident	89.8	Confident	124 Å²	124	56 Å²	56	58%	0.579	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	38.4	177.6	-63.5	162.1	30.3	0	0	113.6	R669	Q667-R669 VanDerWaalsContact C-N 3.29Å; Q667-R669 PolarHBondContact O-N 3.48Å
668	R	87.4	Confident	90.1	Very high	103 Å²	103	55.4 Å²	55.4	39%	0.389	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	15.9	179.3	-52.4	167	171.8	149.8	-2.7	115.7	H469 I470 F471 Q472 D666	H469-R668 WeakPolarHBondContact O-CD 3.32Å; H469-R668 PolarHBondContact O-NE 2.98Å; I470-R668 WeakPolarHBondContact O-CA 3.32Å; I470-R668 VanDerWaalsContact O-CB 3.24Å; I470-R668 WeakPolarHBondContact O-CB 3.38Å; I470-R668 WeakPolarHBondContact O-CG 3.46Å; F471-R668 WeakPolarHBondContact CA-O 3.41Å; Q472-R668 HydrophobicContact CB-CB 4.23Å; Q472-R668 HydrophobicContact CG-CB 4.28Å; Q472-R668 PolarHBondContact N-O 3.3Å; D666-R668 PolarHBondContact O-N 3.14Å
669	R	91.3	Very high	90.2	Very high	127 Å²	127	51.3 Å²	51.3	48%	0.479	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	170.7	-179.5	57.2	177.8	167.7	171.7	-3.5	111.1	L665 D666 Q667	L665-R669 WeakPolarHBondContact CA-O 3.33Å; D666-R669 PolarHBondContact N-O 3.21Å; D666-R669 VanDerWaalsContact O-CG 3.27Å; D666-R669 WeakPolarHBondContact O-CG 3.19Å; D666-R669 PolarHBondContact O-N 2.99Å; Q667-R669 VanDerWaalsContact C-N 3.29Å; Q667-R669 PolarHBondContact O-N 3.48Å
670	V	92.3	Very high	90	Very high	31 Å²	31	54 Å²	54	19%	0.188	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	123	161.9	-179.9	0	0	0	0	107.6	L474 N475 L476 A663 V664 L665 E672 C673	L474-V670 HydrophobicContact CG-CG2 4.32Å; N475-V670 WeakPolarHBondContact O-CG2 3.47Å; L476-V670 HydrophobicContact CB-CG2 4.16Å; L476-V670 HydrophobicContact CD1-CG2 4.09Å; A663-V670 HydrophobicContact CB-CG1 4.4Å; V664-V670 CarbonylContact O-C 3.5Å; V664-V670 WeakPolarHBondContact O-CA 3.46Å; L665-V670 HydrophobicContact CD2-CG2 3.85Å; V670-E672 WeakPolarHBondContact CG1-O 3.29Å; V670-C673 HydrophobicContact CG1-CB 4.14Å
671	A	90.2	Very high	89.6	Confident	51 Å²	51	52.7 Å²	52.7	42%	0.421	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-35.7	-180	0	0	0	0	0	112.1	V664 D666 L686	V664-A671 PolarHBondContact O-N 2.88Å; D666-A671 HydrophobicContact CB-CB 4.19Å; A671-L686 HydrophobicContact CB-CD2 4.43Å
672	E	90.9	Very high	89.2	Confident	37 Å²	37	54.6 Å²	54.6	17%	0.173	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	142.5	179.4	-62.2	178.2	163.4	0	0	109.3	V664 V670 L679 G685 L686 F687	V664-E672 HydrophobicContact CB-CB 4.11Å; V664-E672 HydrophobicContact CG2-CB 3.89Å; V664-E672 PolarHBondContact N-O 3.45Å; V670-E672 WeakPolarHBondContact CG1-O 3.29Å; E672-L679 HydrophobicContact CB-CD2 4.1Å; E672-G685 WeakPolarHBondContact OE1-CA 3.33Å; E672-L686 VanDerWaalsContact CD-N 3.28Å; E672-L686 PolarHBondContact OE1-N 3.45Å; E672-L686 PolarHBondContact OE2-N 2.98Å; E672-L686 VanDerWaalsContact OE2-N 3.1Å; E672-F687 WeakPolarHBondContact OE2-CB 3.47Å; E672-F687 PolarHBondContact OE2-N 3.45Å
673	C	91.9	Very high	88.2	Confident	73 Å²	73	64.9 Å²	64.9	49%	0.493	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	136.8	174.6	-166.9	0	0	0	0	109.8	V662 V670	V662-C673 VanDerWaalsContact O-CA 3.3Å; V662-C673 WeakPolarHBondContact O-CA 3.4Å; V670-C673 HydrophobicContact CG1-CB 4.14Å
674	G	91.5	Very high	87.5	Confident	14 Å²	14	72.5 Å²	72.5	14%	0.144	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.2	-171.1	-176.2	0	0	0	0	0	112.5	S661 V662	S661-G674 WeakPolarHBondContact CA-O 3.42Å; V662-G674 PolarHBondContact N-O 3.5Å; V662-G674 PolarHBondContact O-N 2.91Å
675	Q	90.8	Very high	87.1	Confident	99 Å²	99	72.5 Å²	72.5	46%	0.463	37%	0.37	S	S	.	.			trans	-71.7	150.1	176.2	-64	-161.2	-9.2	0	0	111.9	T677 E678 L679	Q675-T677 PolarHBondContact O-N 3.38Å; Q675-T677 VanDerWaalsContact O-N 3.17Å; Q675-E678 HydrophobicContact CB-CG 4.04Å; Q675-E678 WeakPolarHBondContact CB-OE2 3.4Å; Q675-E678 PolarHBondContact N-OE2 2.86Å; Q675-E678 PolarHBondContact O-N 2.99Å; Q675-L679 WeakPolarHBondContact O-CG 3.45Å; Q675-L679 PolarHBondContact O-N 3.34Å; Q675-L679 VanDerWaalsContact O-N 3.11Å
676	P	87.9	Confident	86.7	Confident	14 Å²	14	74.6 Å²	74.6	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-55.4	-36.3	178.9	-18	23.9	0	0	0	113.4	I656 A659 V662 L680	I656-P676 WeakPolarHBondContact O-CG 3.31Å; A659-P676 WeakPolarHBondContact O-CD 3.28Å; A659-P676 VanDerWaalsContact O-CG 3.28Å; A659-P676 WeakPolarHBondContact O-CG 3.3Å; V662-P676 HydrophobicContact CG2-CB 4.01Å; V662-P676 HydrophobicContact CG2-CG 3.69Å; P676-L680 WeakPolarHBondContact O-CB 3.47Å; P676-L680 WeakPolarHBondContact O-CD1 3.3Å; P676-L680 VanDerWaalsContact O-CG 3.28Å; P676-L680 WeakPolarHBondContact O-CG 3.3Å; P676-L680 PolarHBondContact O-N 3.23Å
677	T	86.6	Confident	86.6	Confident	96 Å²	96	72.7 Å²	72.7	59%	0.589	37%	0.371	S	S	*	.	H	α-helix	trans	-66.6	-47.7	179.3	42.4	0	0	0	0	112.5	Q675 L680 G681	Q675-T677 PolarHBondContact O-N 3.38Å; Q675-T677 VanDerWaalsContact O-N 3.17Å; T677-L680 PolarHBondContact O-N 2.98Å; T677-G681 PolarHBondContact O-N 2.94Å
678	E	87.1	Confident	86.7	Confident	124 Å²	124	70.3 Å²	70.3	58%	0.579	36%	0.357	S	S	*	.	H	α-helix	trans	-63.7	-47.3	179.3	-61.8	172.7	139.3	0	0	111.1	Q675 L680 G681 N682	Q675-E678 HydrophobicContact CB-CG 4.04Å; Q675-E678 WeakPolarHBondContact CB-OE2 3.4Å; Q675-E678 PolarHBondContact N-OE2 2.86Å; Q675-E678 PolarHBondContact O-N 2.99Å; E678-L680 VanDerWaalsContact C-N 3.31Å; E678-L680 PolarHBondContact O-N 3.38Å; E678-G681 WeakPolarHBondContact O-CA 3.35Å; E678-G681 PolarHBondContact O-N 3.29Å; E678-N682 PolarHBondContact O-N 3.21Å
679	L	86.8	Confident	86.6	Confident	19 Å²	19	70.2 Å²	70.2	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-66.8	-29.9	-178.9	-64.4	176.2	0	0	0	112.7	V662 E672 Q675 F687	V662-L679 HydrophobicContact CB-CD1 4.03Å; E672-L679 HydrophobicContact CB-CD2 4.1Å; Q675-L679 WeakPolarHBondContact O-CG 3.45Å; Q675-L679 PolarHBondContact O-N 3.34Å; Q675-L679 VanDerWaalsContact O-N 3.11Å; L679-F687 HydrophobicContact CB-CB 3.99Å; L679-F687 HydrophobicContact CB-CD1 3.3Å; L679-F687 HydrophobicContact CB-CE1 4.01Å; L679-F687 HydrophobicContact CB-CG 3.89Å; L679-F687 HydrophobicContact CD1-CD1 4.3Å; L679-F687 HydrophobicContact CD1-CG 4.33Å; L679-F687 HydrophobicContact CG-CD1 4.46Å
680	L	85.3	Confident	86.2	Confident	63 Å²	63	65.7 Å²	65.7	33%	0.33	34%	0.344	S	S	.	.	H	α-helix	trans	-71.3	-28.8	170.3	-78	168.1	0	0	0	113	P676 T677 E678 N682 F687 R688 M691	P676-L680 WeakPolarHBondContact O-CB 3.47Å; P676-L680 WeakPolarHBondContact O-CD1 3.3Å; P676-L680 VanDerWaalsContact O-CG 3.28Å; P676-L680 WeakPolarHBondContact O-CG 3.3Å; P676-L680 PolarHBondContact O-N 3.23Å; T677-L680 PolarHBondContact O-N 2.98Å; E678-L680 VanDerWaalsContact C-N 3.31Å; E678-L680 PolarHBondContact O-N 3.38Å; L680-N682 VanDerWaalsContact C-N 3.29Å; L680-N682 PolarHBondContact O-N 3.32Å; L680-F687 HydrophobicContact CD2-CD1 4.45Å; L680-F687 HydrophobicContact CD2-CE1 4.26Å; L680-F687 HydrophobicContact CG-CD1 4.21Å; L680-F687 HydrophobicContact CG-CE1 3.84Å; L680-R688 PolarHBondContact O-NH1 3.48Å; L680-M691 HydrophobicContact CD2-CB 4.09Å; L680-M691 HydrophobicContact CD2-CG 4.13Å
681	G	83.1	Confident	85.7	Confident	55 Å²	55	64.6 Å²	64.6	57%	0.567	34%	0.337	S	S	*	.	H	α-helix	trans	-64.1	-32.8	174.7	0	0	0	0	0	112.9	T677 E678 R683	T677-G681 PolarHBondContact O-N 2.94Å; E678-G681 WeakPolarHBondContact O-CA 3.35Å; E678-G681 PolarHBondContact O-N 3.29Å; G681-R683 PolarHBondContact O-N 3.37Å
682	N	85.9	Confident	85.3	Confident	75 Å²	75	66.8 Å²	66.8	40%	0.401	34%	0.338	S	S	.	.			trans	-69.6	98.4	176.7	-175.6	-2.5	0	0	0	111.8	E678 L680 Q684 G685 R688	E678-N682 PolarHBondContact O-N 3.21Å; L680-N682 VanDerWaalsContact C-N 3.29Å; L680-N682 PolarHBondContact O-N 3.32Å; N682-Q684 PolarHBondContact O-N 3.02Å; N682-Q684 VanDerWaalsContact O-N 3.14Å; N682-Q684 PolarHBondContact OD1-N 3.28Å; N682-G685 WeakPolarHBondContact ND2-CA 3.35Å; N682-G685 PolarHBondContact O-N 2.89Å; N682-G685 PolarHBondContact OD1-N 2.9Å; N682-G685 VanDerWaalsContact OD1-N 3.14Å; N682-R688 WeakPolarHBondContact O-CD 3.5Å
683	R	74.2	Confident	84.7	Confident	215 Å²	215	71.9 Å²	71.9	81%	0.811	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.7	178.1	-71.1	-173.3	177	-171.8	-1	114.9	G681	G681-R683 PolarHBondContact O-N 3.37Å
684	Q	78.9	Confident	83.8	Confident	160 Å²	160	70.5 Å²	70.5	75%	0.748	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-4.9	175.8	-65.1	-169.4	0	0	0	112.9	N682 K689	N682-Q684 PolarHBondContact O-N 3.02Å; N682-Q684 VanDerWaalsContact O-N 3.14Å; N682-Q684 PolarHBondContact OD1-N 3.28Å; Q684-K689 WeakPolarHBondContact O-CE 3.18Å; Q684-K689 PolarHBondContact O-NZ 2.81Å
685	G	84.1	Confident	82.9	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.355	C	S	.	.			trans	-65.7	150.2	-172.4	0	0	0	0	0	114.1	E672 N682 K689	E672-G685 WeakPolarHBondContact OE1-CA 3.33Å; N682-G685 WeakPolarHBondContact ND2-CA 3.35Å; N682-G685 PolarHBondContact O-N 2.89Å; N682-G685 PolarHBondContact OD1-N 2.9Å; N682-G685 VanDerWaalsContact OD1-N 3.14Å; G685-K689 WeakPolarHBondContact O-CD 3.2Å; G685-K689 WeakPolarHBondContact O-CG 3.42Å; G685-K689 PolarHBondContact O-N 2.7Å
686	L	84.8	Confident	81.9	Confident	45 Å²	45	72.8 Å²	72.8	24%	0.236	36%	0.358	C	S	.	.	H	α-helix	trans	-71.3	-38.4	177	-175.5	60.2	0	0	0	111.4	V664 D666 A671 E672 R688 K689 L690	V664-L686 HydrophobicContact CG1-CB 4.42Å; V664-L686 HydrophobicContact CG1-CD2 3.84Å; V664-L686 HydrophobicContact CG1-CG 4.05Å; D666-L686 HydrophobicContact CB-CD2 3.4Å; A671-L686 HydrophobicContact CB-CD2 4.43Å; E672-L686 VanDerWaalsContact CD-N 3.28Å; E672-L686 PolarHBondContact OE1-N 3.45Å; E672-L686 PolarHBondContact OE2-N 2.98Å; E672-L686 VanDerWaalsContact OE2-N 3.1Å; L686-R688 VanDerWaalsContact C-N 3.34Å; L686-R688 PolarHBondContact O-N 3.43Å; L686-K689 PolarHBondContact O-N 3.05Å; L686-L690 HydrophobicContact CG-CD1 4.21Å; L686-L690 HydrophobicContact CG-CG 4.48Å; L686-L690 WeakPolarHBondContact O-CG 3.48Å; L686-L690 PolarHBondContact O-N 3.43Å
687	F	85.4	Confident	80.7	Confident	2 Å²	2	76.6 Å²	76.6	1%	0.009	38%	0.378	C	S	.	.	H	α-helix	trans	-53.3	-53	174.7	-177.9	-122.4	0	0	0	111.3	V487 I656 V662 V664 E672 L679 L680 K689 L690 M691	V487-F687 HydrophobicContact CG2-CD2 3.92Å; V487-F687 HydrophobicContact CG2-CE2 4.13Å; I656-F687 HydrophobicContact CG2-CE2 3.67Å; I656-F687 HydrophobicContact CG2-CZ 3.47Å; I656-F687 VanDerWaalsContact CG2-CZ 3.47Å; V662-F687 HydrophobicContact CB-CE2 4.38Å; V662-F687 HydrophobicContact CG1-CD2 4.08Å; V662-F687 HydrophobicContact CG1-CE2 3.7Å; V662-F687 HydrophobicContact CG1-CZ 4.28Å; V662-F687 HydrophobicContact CG2-CE2 4.35Å; V662-F687 HydrophobicContact CG2-CZ 4.11Å; V664-F687 HydrophobicContact CG2-CB 3.74Å; V664-F687 HydrophobicContact CG2-CD2 4.05Å; V664-F687 HydrophobicContact CG2-CG 4.29Å; E672-F687 WeakPolarHBondContact OE2-CB 3.47Å; E672-F687 PolarHBondContact OE2-N 3.45Å; L679-F687 HydrophobicContact CB-CB 3.99Å; L679-F687 HydrophobicContact CB-CD1 3.3Å; L679-F687 HydrophobicContact CB-CE1 4.01Å; L679-F687 HydrophobicContact CB-CG 3.89Å; L679-F687 HydrophobicContact CD1-CD1 4.3Å; L679-F687 HydrophobicContact CD1-CG 4.33Å; L679-F687 HydrophobicContact CG-CD1 4.46Å; L680-F687 HydrophobicContact CD2-CD1 4.45Å; L680-F687 HydrophobicContact CD2-CE1 4.26Å; L680-F687 HydrophobicContact CG-CD1 4.21Å; L680-F687 HydrophobicContact CG-CE1 3.84Å; F687-K689 VanDerWaalsContact C-N 3.33Å; F687-K689 PolarHBondContact O-N 3.37Å; F687-L690 WeakPolarHBondContact O-CB 3.36Å; F687-L690 PolarHBondContact O-N 3.32Å; F687-M691 HydrophobicContact CD1-CG 4.28Å; F687-M691 HydrophobicContact CD2-CE 4.27Å; F687-M691 HydrophobicContact CD2-CG 4.11Å; F687-M691 HydrophobicContact CD2-SD 4.5Å; F687-M691 HydrophobicContact CE1-CG 3.96Å; F687-M691 HydrophobicContact CE2-CE 3.81Å; F687-M691 HydrophobicContact CE2-CG 3.7Å; F687-M691 HydrophobicContact CE2-SD 3.68Å; F687-M691 HydrophobicContact CG-CG 4.38Å; F687-M691 HydrophobicContact CZ-CG 3.65Å; F687-M691 HydrophobicContact CZ-SD 3.81Å; F687-M691 WeakPolarHBondContact O-CG 3.4Å; F687-M691 PolarHBondContact O-N 3.3Å
688	R	85.1	Confident	79.6	Confident	74 Å²	74	75.6 Å²	75.6	28%	0.279	37%	0.366	S	S	.	.	H	α-helix	trans	-56.2	-46.1	179.1	-173.4	-173.6	171.3	99.1	16.2	111.8	L680 N682 L686 L690 M691 E692	L680-R688 PolarHBondContact O-NH1 3.48Å; N682-R688 WeakPolarHBondContact O-CD 3.5Å; L686-R688 VanDerWaalsContact C-N 3.34Å; L686-R688 PolarHBondContact O-N 3.43Å; R688-L690 VanDerWaalsContact C-N 3.3Å; R688-L690 PolarHBondContact O-N 2.93Å; R688-M691 PolarHBondContact O-N 2.96Å; R688-E692 HydrophobicContact CG-CG 4.43Å; R688-E692 IonicContact CZ-OE1 3.17Å; R688-E692 IonicContact NE-OE1 2.78Å; R688-E692 PolarHBondContact NE-OE1 2.78Å; R688-E692 IonicContact NH2-OE1 2.76Å; R688-E692 PolarHBondContact NH2-OE1 2.72Å; R688-E692 WeakPolarHBondContact O-CB 3.46Å; R688-E692 WeakPolarHBondContact O-CG 3.46Å; R688-E692 PolarHBondContact O-N 3.34Å
689	K	84.6	Confident	78.6	Confident	100 Å²	100	74.5 Å²	74.5	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-64.3	-31.2	177.3	-69.4	162.3	-179.3	161.7	0	113.2	Q684 G685 L686 F687 K693	Q684-K689 WeakPolarHBondContact O-CE 3.18Å; Q684-K689 PolarHBondContact O-NZ 2.81Å; G685-K689 WeakPolarHBondContact O-CD 3.2Å; G685-K689 WeakPolarHBondContact O-CG 3.42Å; G685-K689 PolarHBondContact O-N 2.7Å; L686-K689 PolarHBondContact O-N 3.05Å; F687-K689 VanDerWaalsContact C-N 3.33Å; F687-K689 PolarHBondContact O-N 3.37Å; K689-K693 WeakPolarHBondContact O-CB 3.47Å; K689-K693 VanDerWaalsContact O-CG 3.31Å; K689-K693 WeakPolarHBondContact O-CG 3.42Å; K689-K693 PolarHBondContact O-N 3.49Å
690	L	82.1	Confident	77.1	Confident	32 Å²	32	78.5 Å²	78.5	17%	0.168	38%	0.379	C	S	.	.	H	α-helix	trans	-72.6	-41.8	172.6	-69.9	169	0	0	0	111.2	V664 L686 F687 R688 K693 Q694	V664-L690 HydrophobicContact CG1-CD1 3.8Å; L686-L690 HydrophobicContact CG-CD1 4.21Å; L686-L690 HydrophobicContact CG-CG 4.48Å; L686-L690 WeakPolarHBondContact O-CG 3.48Å; L686-L690 PolarHBondContact O-N 3.43Å; F687-L690 WeakPolarHBondContact O-CB 3.36Å; F687-L690 PolarHBondContact O-N 3.32Å; R688-L690 VanDerWaalsContact C-N 3.3Å; R688-L690 PolarHBondContact O-N 2.93Å; L690-K693 PolarHBondContact O-N 3.13Å; L690-Q694 PolarHBondContact O-N 3.25Å
691	M	82.3	Confident	75.7	Confident	8 Å²	8	81.6 Å²	81.6	4%	0.039	39%	0.392	C	S	.	.	H	α-helix	trans	-68.2	-42	178.6	-64.6	-55.4	92.6	0	0	112.4	L653 I656 L680 F687 R688 K693 Q694 A695	L653-M691 HydrophobicContact CD2-CB 4.32Å; L653-M691 HydrophobicContact CD2-CG 4.32Å; L653-M691 HydrophobicContact CD2-SD 3.58Å; L653-M691 VanDerWaalsContact CD2-SD 3.58Å; L653-M691 HydrophobicContact CG-SD 4.05Å; I656-M691 HydrophobicContact CD1-CE 3.77Å; I656-M691 HydrophobicContact CD1-SD 3.91Å; I656-M691 HydrophobicContact CG2-SD 4.12Å; L680-M691 HydrophobicContact CD2-CB 4.09Å; L680-M691 HydrophobicContact CD2-CG 4.13Å; F687-M691 HydrophobicContact CD1-CG 4.28Å; F687-M691 HydrophobicContact CD2-CE 4.27Å; F687-M691 HydrophobicContact CD2-CG 4.11Å; F687-M691 HydrophobicContact CD2-SD 4.5Å; F687-M691 HydrophobicContact CE1-CG 3.96Å; F687-M691 HydrophobicContact CE2-CE 3.81Å; F687-M691 HydrophobicContact CE2-CG 3.7Å; F687-M691 HydrophobicContact CE2-SD 3.68Å; F687-M691 HydrophobicContact CG-CG 4.38Å; F687-M691 HydrophobicContact CZ-CG 3.65Å; F687-M691 HydrophobicContact CZ-SD 3.81Å; F687-M691 WeakPolarHBondContact O-CG 3.4Å; F687-M691 PolarHBondContact O-N 3.3Å; R688-M691 PolarHBondContact O-N 2.96Å; M691-K693 VanDerWaalsContact C-N 3.3Å; M691-K693 PolarHBondContact O-N 2.87Å; M691-Q694 PolarHBondContact O-N 3.42Å; M691-A695 WeakPolarHBondContact O-CB 3.38Å; M691-A695 PolarHBondContact O-N 3.42Å
692	E	82.3	Confident	74.4	Confident	97 Å²	97	85.5 Å²	85.5	45%	0.453	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-38.5	174.9	-73.1	171	167.2	0	0	111.2	R688 F696	R688-E692 HydrophobicContact CG-CG 4.43Å; R688-E692 IonicContact CZ-OE1 3.17Å; R688-E692 IonicContact NE-OE1 2.78Å; R688-E692 PolarHBondContact NE-OE1 2.78Å; R688-E692 IonicContact NH2-OE1 2.76Å; R688-E692 PolarHBondContact NH2-OE1 2.72Å; R688-E692 WeakPolarHBondContact O-CB 3.46Å; R688-E692 WeakPolarHBondContact O-CG 3.46Å; R688-E692 PolarHBondContact O-N 3.34Å; E692-F696 PolarHBondContact O-N 3Å
693	K	77.4	Confident	72.8	Confident	145 Å²	145	90.3 Å²	90.3	63%	0.63	41%	0.408	S	S	*	.	H	α-helix	trans	-69	-42.6	172.7	-76.4	179.3	176.8	-174.2	0	113.5	K689 L690 M691 L697	K689-K693 WeakPolarHBondContact O-CB 3.47Å; K689-K693 VanDerWaalsContact O-CG 3.31Å; K689-K693 WeakPolarHBondContact O-CG 3.42Å; K689-K693 PolarHBondContact O-N 3.49Å; L690-K693 PolarHBondContact O-N 3.13Å; M691-K693 VanDerWaalsContact C-N 3.3Å; M691-K693 PolarHBondContact O-N 2.87Å; K693-L697 WeakPolarHBondContact O-CG 3.45Å; K693-L697 PolarHBondContact O-N 3.17Å
694	Q	73.1	Confident	71.6	Confident	43 Å²	43	84 Å²	84	20%	0.201	40%	0.402	C	S	.	.	H	α-helix	trans	-65.4	-42	177.6	-81.7	-176.6	-15.1	0	0	111.8	H651 L653 L690 M691 F696 L697 Q698	H651-Q694 PolarHBondContact O-NE2 3.07Å; L653-Q694 HydrophobicContact CD1-CB 4.09Å; L690-Q694 PolarHBondContact O-N 3.25Å; M691-Q694 PolarHBondContact O-N 3.42Å; Q694-F696 PolarHBondContact O-N 3.13Å; Q694-L697 PolarHBondContact O-N 3.08Å; Q694-Q698 WeakPolarHBondContact O-CG 3.31Å; Q694-Q698 PolarHBondContact O-N 2.79Å
695	A	72.6	Confident	70	Confident	39 Å²	39	83.6 Å²	83.6	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-60.2	-46.7	176.5	0	0	0	0	0	111.7	L653 M691 L697 Q698 E699	L653-A695 HydrophobicContact CD1-CB 3.95Å; M691-A695 WeakPolarHBondContact O-CB 3.38Å; M691-A695 PolarHBondContact O-N 3.42Å; A695-L697 PolarHBondContact O-N 3.44Å; A695-Q698 PolarHBondContact O-N 3.44Å; A695-E699 PolarHBondContact O-N 2.85Å
696	F	69.6	Low	68	Low	122 Å²	122	93.2 Å²	93.2	54%	0.535	46%	0.455	S	S	.	.	H	α-helix	trans	-59	-46.1	175.9	-176.8	-92.4	0	0	0	112.4	E692 Q694 Q698 E699 E700	E692-F696 PolarHBondContact O-N 3Å; Q694-F696 PolarHBondContact O-N 3.13Å; F696-Q698 VanDerWaalsContact C-N 3.34Å; F696-Q698 PolarHBondContact O-N 3.06Å; F696-E699 PolarHBondContact O-N 3.03Å; F696-E700 HydrophobicContact CD1-CG 4.36Å; F696-E700 HydrophobicContact CE1-CG 3.89Å; F696-E700 WeakPolarHBondContact CE1-OE1 3.21Å; F696-E700 WeakPolarHBondContact CE1-OE2 3.27Å; F696-E700 HydrophobicContact CZ-CG 4.12Å; F696-E700 WeakPolarHBondContact CZ-OE1 3.43Å; F696-E700 PolarHBondContact O-N 2.89Å
697	L	63.5	Low	67.1	Low	95 Å²	95	95.7 Å²	95.7	50%	0.497	47%	0.466	S	S	.	.	H	α-helix	trans	-65.4	-34.8	177.5	-71.4	168.4	0	0	0	112.8	K693 Q694 A695 Q701	K693-L697 WeakPolarHBondContact O-CG 3.45Å; K693-L697 PolarHBondContact O-N 3.17Å; Q694-L697 PolarHBondContact O-N 3.08Å; A695-L697 PolarHBondContact O-N 3.44Å; L697-Q701 WeakPolarHBondContact O-CB 3.49Å; L697-Q701 VanDerWaalsContact O-CG 3.32Å; L697-Q701 WeakPolarHBondContact O-CG 3.31Å; L697-Q701 PolarHBondContact O-N 3.39Å
698	Q	64.3	Low	66.2	Low	75 Å²	75	100.6 Å²	100.6	35%	0.35	49%	0.49	S	S	.	.	H	α-helix	trans	-69.5	-39	174.3	-72.9	-169	-61.2	0	0	111.9	Q694 A695 F696 Q701 Q702	Q694-Q698 WeakPolarHBondContact O-CG 3.31Å; Q694-Q698 PolarHBondContact O-N 2.79Å; A695-Q698 PolarHBondContact O-N 3.44Å; F696-Q698 VanDerWaalsContact C-N 3.34Å; F696-Q698 PolarHBondContact O-N 3.06Å; Q698-Q701 PolarHBondContact O-N 3.32Å; Q698-Q702 PolarHBondContact O-N 2.67Å
699	E	64.2	Low	65.1	Low	101 Å²	101	102.1 Å²	102.1	47%	0.472	50%	0.501	S	S	.	.	H	α-helix	trans	-64	-42.6	172.8	-78.8	-167.7	-145.2	0	0	112.3	A695 F696 Q702 R703	A695-E699 PolarHBondContact O-N 2.85Å; F696-E699 PolarHBondContact O-N 3.03Å; E699-Q702 PolarHBondContact O-N 3.29Å; E699-R703 WeakPolarHBondContact O-CB 3.41Å; E699-R703 VanDerWaalsContact O-CG 3.27Å; E699-R703 WeakPolarHBondContact O-CG 3.3Å; E699-R703 PolarHBondContact O-N 3.5Å; E699-R703 IonicContact OE2-CZ 3.29Å; E699-R703 IonicContact OE2-NH2 2.69Å; E699-R703 PolarHBondContact OE2-NH2 2.89Å
700	E	57.1	Low	64	Low	102 Å²	102	102.2 Å²	102.2	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-41.8	174.4	-74.2	-166.8	141.3	0	0	112	F696 R703 A704	F696-E700 HydrophobicContact CD1-CG 4.36Å; F696-E700 HydrophobicContact CE1-CG 3.89Å; F696-E700 WeakPolarHBondContact CE1-OE1 3.21Å; F696-E700 WeakPolarHBondContact CE1-OE2 3.27Å; F696-E700 HydrophobicContact CZ-CG 4.12Å; F696-E700 WeakPolarHBondContact CZ-OE1 3.43Å; F696-E700 PolarHBondContact O-N 2.89Å; E700-R703 PolarHBondContact O-N 3.47Å; E700-A704 WeakPolarHBondContact O-CB 3.48Å; E700-A704 PolarHBondContact O-N 2.83Å
701	Q	55.4	Low	62.8	Low	128 Å²	128	106.6 Å²	106.6	60%	0.598	53%	0.526	S	S	*	.	H	α-helix	trans	-63.4	-42.1	175.4	-77.8	-179.7	-18.4	0	0	112.5	L697 Q698 A704 L705	L697-Q701 WeakPolarHBondContact O-CB 3.49Å; L697-Q701 VanDerWaalsContact O-CG 3.32Å; L697-Q701 WeakPolarHBondContact O-CG 3.31Å; L697-Q701 PolarHBondContact O-N 3.39Å; Q698-Q701 PolarHBondContact O-N 3.32Å; Q701-A704 PolarHBondContact O-N 3.28Å; Q701-L705 WeakPolarHBondContact O-CG 3.34Å; Q701-L705 PolarHBondContact O-N 3.37Å
702	Q	55.4	Low	61.5	Low	137 Å²	137	113.1 Å²	113.1	64%	0.64	56%	0.559	S	S	*	*	H	α-helix	trans	-64.7	-38	174.2	-92.7	-176.3	-38.1	0	0	112.4	Q698 E699 A704 L705 L706	Q698-Q702 PolarHBondContact O-N 2.67Å; E699-Q702 PolarHBondContact O-N 3.29Å; Q702-A704 VanDerWaalsContact C-N 3.29Å; Q702-A704 PolarHBondContact O-N 3.5Å; Q702-L705 PolarHBondContact O-N 3.28Å; Q702-L706 WeakPolarHBondContact O-CG 3.32Å
703	R	52	Low	60	Low	176 Å²	176	114.3 Å²	114.3	66%	0.664	57%	0.566	S	S	*	*	H	α-helix	trans	-72.7	-18.1	175.8	-69.4	176.9	-161.9	-169.4	11	114	E699 E700	E699-R703 WeakPolarHBondContact O-CB 3.41Å; E699-R703 VanDerWaalsContact O-CG 3.27Å; E699-R703 WeakPolarHBondContact O-CG 3.3Å; E699-R703 PolarHBondContact O-N 3.5Å; E699-R703 IonicContact OE2-CZ 3.29Å; E699-R703 IonicContact OE2-NH2 2.69Å; E699-R703 PolarHBondContact OE2-NH2 2.89Å; E700-R703 PolarHBondContact O-N 3.47Å
704	A	50	Low	58.7	Low	83 Å²	83	111.9 Å²	111.9	69%	0.686	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-4.2	175.3	0	0	0	0	0	113.6	E700 Q701 Q702	E700-A704 WeakPolarHBondContact O-CB 3.48Å; E700-A704 PolarHBondContact O-N 2.83Å; Q701-A704 PolarHBondContact O-N 3.28Å; Q702-A704 VanDerWaalsContact C-N 3.29Å; Q702-A704 PolarHBondContact O-N 3.5Å
705	L	44.8	Very low	57.5	Low	151 Å²	151	117.7 Å²	117.7	79%	0.791	59%	0.591	S	S	*	*			trans	-108.9	4	177	-71.1	169.2	0	0	0	112.9	Q701 Q702	Q701-L705 WeakPolarHBondContact O-CG 3.34Å; Q701-L705 PolarHBondContact O-N 3.37Å; Q702-L705 PolarHBondContact O-N 3.28Å
706	L	40.9	Very low	56.1	Low	203 Å²	203	124.8 Å²	124.8	100%	1.063	62%	0.616	S	S	*	*			trans	-116.2	0	177.8	-70.3	171.7	0	0	0	110.6	Q702	Q702-L706 WeakPolarHBondContact O-CG 3.32Å

Retrieved 706 of 706 residues in 361 ms (Link to these results)

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