A0A087X3H7_POEFO Loading...

Ecto-NOX disulfide-thiol exchanger 1

AlphaFold DB , UniProt , Accession A0A087X3H7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 631 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	34	Very low	245 Å²	245	126.4 Å²	126.4	100%	1.207	85%	0.848	S	S	*	*				0	145.4	0	-79.3	174.8	165	0	0	108.2
2	A	34.5	Very low	33.4	Very low	105 Å²	105	122.7 Å²	122.7	87%	0.868	85%	0.847	S	S	*	*			trans	32.1	120.2	165.4	0	0	0	0	0	120.6
3	S	33.4	Very low	33.1	Very low	131 Å²	131	120.5 Å²	120.5	92%	0.916	84%	0.843	S	S	*	*			trans	-83.1	167.1	162.6	-44.6	0	0	0	0	112.4
4	G	33.1	Very low	32.6	Very low	78 Å²	78	123.4 Å²	123.4	80%	0.804	84%	0.836	S	S	*	*			trans	130.3	143.7	155.5	0	0	0	0	0	114.7
5	A	35.2	Very low	32.1	Very low	83 Å²	83	124.5 Å²	124.5	69%	0.686	82%	0.824	S	S	*	*			cis	-162.6	162.5	-10.5	0	0	0	0	0	111.4
6	D	33.3	Very low	31.7	Very low	160 Å²	160	125.8 Å²	125.8	86%	0.856	82%	0.821	S	S	*	*			trans	65	128.6	150.9	-51.8	-28.2	0	0	0	123.1
7	G	31.1	Very low	31.7	Very low	70 Å²	70	124.9 Å²	124.9	72%	0.722	82%	0.815	S	S	*	*			trans	-104.2	-135.9	157.2	0	0	0	0	0	109.9
8	P	47.8	Very low	31.4	Very low	141 Å²	141	127 Å²	127	92%	0.916	82%	0.817	S	S	*	*			cis	-134.8	-171.6	-18.2	41.9	-24.8	0	0	0	113.2
9	G	28.4	Very low	30.9	Very low	71 Å²	71	126.6 Å²	126.6	73%	0.732	82%	0.818	S	S	*	*			trans	145.9	85.5	166.7	0	0	0	0	0	113.1
10	N	27.6	Very low	31.1	Very low	148 Å²	148	127.8 Å²	127.8	79%	0.791	82%	0.815	S	S	*	*				84.6	132.2	65.9	-165.4	32.8	0	0	0	114.9
11	L	30.8	Very low	31.4	Very low	158 Å²	158	127 Å²	127	83%	0.827	81%	0.811	S	S	*	*			trans	96.5	126.6	169	-54.6	175.4	0	0	0	117.9
12	G	26.8	Very low	30.9	Very low	82 Å²	82	122.1 Å²	122.1	85%	0.845	80%	0.795	S	S	*	*			trans	151.3	89	166.7	0	0	0	0	0	115
13	A	29.6	Very low	30.7	Very low	95 Å²	95	121.3 Å²	121.3	79%	0.785	79%	0.788	S	S	*	*			trans	-69	146.6	-174.3	0	0	0	0	0	116.9
14	E	26.2	Very low	30.3	Very low	160 Å²	160	122.1 Å²	122.1	75%	0.748	78%	0.782	S	S	*	*				56.8	122.7	128.9	-65.3	-128.4	105.3	0	0	124.3
15	Q	25.3	Very low	30.2	Very low	141 Å²	141	127 Å²	127	66%	0.659	78%	0.783	S	S	*	*				84.9	120.6	127	-70.8	-171.6	32.2	0	0	123.8
16	N	26.5	Very low	30.1	Very low	144 Å²	144	125.6 Å²	125.6	77%	0.77	78%	0.777	S	S	*	*			trans	80.2	126.2	141.7	-81.5	-13.8	0	0	0	122
17	P	31.7	Very low	30.4	Very low	111 Å²	111	121.6 Å²	121.6	72%	0.721	77%	0.766	S	S	*	*			trans	-96	151.4	169.3	38	-32.2	0	0	0	112.4
18	L	26.5	Very low	30.5	Very low	163 Å²	163	129.7 Å²	129.7	85%	0.853	78%	0.776	S	S	*	*			trans	178	119.2	131.7	-100.1	165.4	0	0	0	111.1
19	S	21.9	Very low	29.9	Very low	119 Å²	119	126.7 Å²	126.7	83%	0.832	76%	0.763	S	S	*	*			trans	-163.8	136.3	153.6	52.5	0	0	0	0	110.8
20	I	34.6	Very low	30.6	Very low	150 Å²	150	129.5 Å²	129.5	77%	0.769	77%	0.766	S	S	*	*			trans	-126	138.8	175.5	-75.7	174.1	0	0	0	103.7
21	P	37.1	Very low	31.1	Very low	112 Å²	112	126.3 Å²	126.3	73%	0.727	76%	0.76	S	S	*	*				-161.8	177.3	90.6	38.9	-14.6	0	0	0	120.6
22	V	27.1	Very low	31.3	Very low	142 Å²	142	127.2 Å²	127.2	86%	0.861	76%	0.762	S	S	*	*			trans	93.7	139.9	156.9	-163.5	0	0	0	0	117.4
23	A	29.9	Very low	31.7	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	75%	0.752	S	S	*	*			trans	-116.5	168.4	-173.4	0	0	0	0	0	111.4
24	D	26.5	Very low	32.1	Very low	149 Å²	149	131.7 Å²	131.7	80%	0.797	75%	0.754	S	S	*	*				-160.4	153.1	128	-144.2	-26.2	0	0	0	111.7	G26	D24-G26 PolarHBondContact OD1-N 3.37Å
25	H	30.8	Very low	32.6	Very low	179 Å²	179	132.3 Å²	132.3	83%	0.829	76%	0.761	S	S	*	*			trans	-146.5	39.3	172.4	-136.4	-66.8	0	0	0	112.4	A27	H25-A27 VanDerWaalsContact C-N 3.29Å; H25-A27 PolarHBondContact O-N 2.95Å
26	G	33.1	Very low	33.1	Very low	54 Å²	54	128 Å²	128	56%	0.557	76%	0.755	S	S	*	*			trans	-74.4	49.9	-176.6	0	0	0	0	0	117.1	D24	D24-G26 PolarHBondContact OD1-N 3.37Å
27	A	38.3	Very low	33.5	Very low	76 Å²	76	129.2 Å²	129.2	63%	0.628	76%	0.759	S	S	*	*	S	Bend	trans	-89.9	-6.4	-172.5	0	0	0	0	0	116.6	H25	H25-A27 VanDerWaalsContact C-N 3.29Å; H25-A27 PolarHBondContact O-N 2.95Å
28	W	35	Very low	33.5	Very low	241 Å²	241	132.1 Å²	132.1	91%	0.913	77%	0.765	S	S	*	*	S	Bend	trans	-121.6	-6.9	-176.2	-89.1	72	0	0	0	115.5
29	A	34.5	Very low	33.9	Very low	78 Å²	78	129.3 Å²	129.3	65%	0.645	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-81.3	-19	-178.6	0	0	0	0	0	114.1	A31	A29-A31 PolarHBondContact O-N 3.14Å; A29-A31 VanDerWaalsContact O-N 3.14Å
30	T	42.9	Very low	34.4	Very low	130 Å²	130	130.4 Å²	130.4	80%	0.798	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-68.9	-9.9	-175.8	-45	0	0	0	0	114
31	A	38.3	Very low	34	Very low	81 Å²	81	126.3 Å²	126.3	67%	0.669	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-90.7	-12.5	-176.7	0	0	0	0	0	115.4	A29	A29-A31 PolarHBondContact O-N 3.14Å; A29-A31 VanDerWaalsContact O-N 3.14Å
32	M	34.3	Very low	33.6	Very low	176 Å²	176	128.6 Å²	128.6	87%	0.867	76%	0.757	S	S	*	*	S	Bend	trans	-124.7	10.7	-170.5	-78.4	-70.1	-141	0	0	115.2	N34	M32-N34 VanDerWaalsContact C-N 3.32Å; M32-N34 PolarHBondContact O-N 3.21Å
33	N	36.6	Very low	33.6	Very low	118 Å²	118	127.3 Å²	127.3	63%	0.631	76%	0.755	S	S	*	*			trans	-92.5	26.2	-179.5	-156.8	12.8	0	0	0	114.2
34	N	36.2	Very low	33.5	Very low	154 Å²	154	126.5 Å²	126.5	82%	0.824	76%	0.755	S	S	*	*	S	Bend	trans	-92.9	9.8	-179.4	-88	-23.4	0	0	0	114.4	M32	M32-N34 VanDerWaalsContact C-N 3.32Å; M32-N34 PolarHBondContact O-N 3.21Å
35	L	38.5	Very low	33.6	Very low	172 Å²	172	129.3 Å²	129.3	90%	0.901	76%	0.764	S	S	*	*	S	Bend	trans	-133.8	50.5	174.9	-67.6	173.5	0	0	0	110
36	G	34.8	Very low	33.3	Very low	52 Å²	52	129 Å²	129	54%	0.536	76%	0.763	S	S	.	*			trans	-63.7	138.4	-159.6	0	0	0	0	0	116.4
37	I	35.2	Very low	33	Very low	168 Å²	168	133.6 Å²	133.6	86%	0.862	77%	0.773	S	S	*	*			trans	-149.8	138	152.9	-89.4	138	0	0	0	106
38	M	30.6	Very low	32.3	Very low	172 Å²	172	135.8 Å²	135.8	85%	0.847	78%	0.779	S	S	*	*			trans	-92.3	162.2	-167.9	-73.4	-136.1	87.2	0	0	115.1
39	P	36	Very low	31.8	Very low	105 Å²	105	129.4 Å²	129.4	68%	0.682	77%	0.771	S	S	*	*			trans	-104.9	165.9	-175.2	40.7	-33.6	0	0	0	114.9
40	V	31.1	Very low	31.3	Very low	141 Å²	141	134.5 Å²	134.5	86%	0.855	78%	0.782	S	S	*	*			trans	-148.9	138.7	163.3	-173.5	0	0	0	0	106.4
41	G	27	Very low	30.4	Very low	64 Å²	64	133.1 Å²	133.1	66%	0.66	78%	0.778	S	S	*	*			cis	144.4	151.2	-1.1	0	0	0	0	0	111.2
42	I	29.2	Very low	29.8	Very low	160 Å²	160	136.9 Å²	136.9	82%	0.821	79%	0.785	S	S	*	*			trans	101.3	117.7	158.6	-54.1	163.1	0	0	0	119.2
43	S	27.2	Very low	29.5	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	78%	0.782	S	S	*	*			trans	-21.2	168.5	161.3	55.6	0	0	0	0	122.5
44	G	28	Very low	29.2	Very low	72 Å²	72	136.3 Å²	136.3	74%	0.742	79%	0.792	S	S	*	*			cis	152.3	174.5	-2.3	0	0	0	0	0	115
45	Q	27.3	Very low	29.2	Very low	207 Å²	207	134 Å²	134	97%	0.967	79%	0.785	S	S	*	*			trans	78.6	164	169.7	-79.3	-164.1	-14.5	0	0	122.4
46	Q	24.6	Very low	28.6	Very low	174 Å²	174	137.6 Å²	137.6	81%	0.813	79%	0.787	S	S	*	*			trans	-159.6	145.4	-146.9	172.4	-169.9	17	0	0	110.4
47	L	26.9	Very low	28.3	Very low	149 Å²	149	143.6 Å²	143.6	78%	0.78	80%	0.799	S	S	*	*			trans	167.5	144.4	134.7	-92.1	169.8	0	0	0	117.3
48	V	24.8	Very low	28	Very low	122 Å²	122	141.8 Å²	141.8	74%	0.739	79%	0.791	S	S	*	*			trans	54.5	112.4	159.3	-71.2	0	0	0	0	126.2
49	S	23.7	Very low	28.3	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	79%	0.785	S	S	*	*				82.7	120.8	116	-58.5	0	0	0	0	125.8
50	E	23.9	Very low	28.2	Very low	184 Å²	184	137.3 Å²	137.3	86%	0.86	79%	0.788	S	S	*	*			trans	72.2	123.8	142.6	-74.4	-167.1	149.8	0	0	124.6
51	S	24.4	Very low	28.2	Very low	102 Å²	102	139 Å²	139	71%	0.713	79%	0.791	S	S	*	*			trans	85.8	130.3	143.5	-69.2	0	0	0	0	121.9
52	L	26.2	Very low	28.3	Very low	159 Å²	159	139.9 Å²	139.9	83%	0.832	80%	0.8	S	S	*	*			trans	79.3	118.6	154.6	-65	157	0	0	0	120.5
53	C	27.8	Very low	28.5	Very low	119 Å²	119	139.2 Å²	139.2	80%	0.804	80%	0.797	S	S	*	*			trans	75.6	124.6	141.7	-59.1	0	0	0	0	121.7
54	I	29.6	Very low	28.9	Very low	163 Å²	163	141 Å²	141	84%	0.836	80%	0.796	S	S	*	*			trans	-69.6	157.7	174.5	-53	164.9	0	0	0	110.9
55	P	37.3	Very low	29	Very low	105 Å²	105	141.6 Å²	141.6	68%	0.682	79%	0.794	S	S	*	*			cis	-131.6	-177.6	-34.8	39.7	-23.9	0	0	0	113.2
56	R	25.9	Very low	29.3	Very low	249 Å²	249	137.9 Å²	137.9	94%	0.94	79%	0.788	S	S	*	*			trans	-142.8	122.3	148.7	-131.2	177.3	-173.8	156.4	1.7	111.1
57	F	27.9	Very low	29.9	Very low	178 Å²	178	137 Å²	137	78%	0.781	79%	0.787	S	S	*	*			trans	-63.9	158.1	159.2	-94.1	-127.2	0	0	0	108.4
58	D	28.2	Very low	30.2	Very low	129 Å²	129	137 Å²	137	69%	0.69	79%	0.788	S	S	*	*			cis	-165.4	-161.3	25.3	-140.7	-3.6	0	0	0	108.5
59	P	37.4	Very low	30.8	Very low	111 Å²	111	137.1 Å²	137.1	72%	0.721	79%	0.791	S	S	*	*				-122.4	145.6	-59.2	23.5	-4.6	0	0	0	112.3
60	G	32.8	Very low	31.3	Very low	73 Å²	73	139 Å²	139	75%	0.753	79%	0.79	S	S	*	*			trans	142.9	82.5	156.1	0	0	0	0	0	117.7
61	L	32.3	Very low	32	Very low	177 Å²	177	139 Å²	139	93%	0.927	79%	0.792	S	S	*	*			trans	170.2	106.3	140.8	-95.5	165.9	0	0	0	107.8	L63	L61-L63 PolarHBondContact O-N 3.36Å
62	G	28.8	Very low	32.5	Very low	81 Å²	81	137.8 Å²	137.8	84%	0.835	80%	0.795	S	S	*	*			trans	-93.4	94.7	178.6	0	0	0	0	0	111.8
63	L	33.3	Very low	32.8	Very low	147 Å²	147	133.4 Å²	133.4	77%	0.77	79%	0.789	S	S	*	*			trans	-143.3	91.2	166.3	-108.9	163.3	0	0	0	111.5	L61	L61-L63 PolarHBondContact O-N 3.36Å
64	I	36.1	Very low	33	Very low	152 Å²	152	134.9 Å²	134.9	78%	0.779	79%	0.787	S	S	*	*			trans	41.5	99.5	141.9	-48.7	173.9	0	0	0	116.9
65	A	29.8	Very low	32.9	Very low	84 Å²	84	132.5 Å²	132.5	69%	0.694	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-98.1	158.5	152.4	0	0	0	0	0	109.5
66	P	33.9	Very low	32.9	Very low	130 Å²	130	134.7 Å²	134.7	84%	0.844	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-73	135.9	-159.7	28	-35.1	0	0	0	114
67	I	37.6	Very low	33.4	Very low	156 Å²	156	128.2 Å²	128.2	80%	0.8	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-83.1	117.9	179.2	-62.3	171.9	0	0	0	109.7	P69	I67-P69 WeakPolarHBondContact O-CD 3.17Å
68	N	32.7	Very low	33.7	Very low	149 Å²	149	124.7 Å²	124.7	80%	0.797	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-64.1	123.8	161.6	-99.2	-3.8	0	0	0	109.3	M70	N68-M70 PolarHBondContact O-N 3.22Å
69	P	36.1	Very low	34.2	Very low	124 Å²	124	124 Å²	124	81%	0.805	78%	0.776	S	S	*	*			trans	-77.6	88.4	176.9	31.3	-33.7	0	0	0	110.4	I67 M71	I67-P69 WeakPolarHBondContact O-CD 3.17Å; P69-M71 PolarHBondContact O-N 3.46Å
70	M	35.6	Very low	34.3	Very low	146 Å²	146	123.8 Å²	123.8	72%	0.719	77%	0.774	S	S	*	*			trans	-73.1	115.2	159.1	-71.4	-102.6	67.8	0	0	108.1	N68 G72	N68-M70 PolarHBondContact O-N 3.22Å; M70-G72 PolarHBondContact O-N 3.39Å
71	M	38.2	Very low	34.6	Very low	185 Å²	185	126.2 Å²	126.2	91%	0.911	78%	0.777	S	S	*	*			trans	-49.9	131.9	160	-89.5	-170.2	-91.1	0	0	108.2	P69 G73	P69-M71 PolarHBondContact O-N 3.46Å; M71-G73 PolarHBondContact O-N 3.49Å
72	G	35.3	Very low	35.2	Very low	76 Å²	76	124.8 Å²	124.8	78%	0.784	77%	0.768	S	S	*	*				83.2	21.4	59.1	0	0	0	0	0	111.3	M70 I74	M70-G72 PolarHBondContact O-N 3.39Å; G72-I74 PolarHBondContact O-N 2.86Å
73	G	31.2	Very low	35.7	Very low	67 Å²	67	125.1 Å²	125.1	69%	0.691	76%	0.756	S	S	*	*			trans	-69.8	120.7	166.6	0	0	0	0	0	110.4	M71	M71-G73 PolarHBondContact O-N 3.49Å
74	I	33.3	Very low	36.3	Very low	150 Å²	150	124.1 Å²	124.1	77%	0.769	76%	0.758	S	S	*	*			trans	22.8	103.8	153.5	-50	174.2	0	0	0	114.3	G72 L76	G72-I74 PolarHBondContact O-N 2.86Å; I74-L76 HydrophobicContact CG2-CG 4.33Å; I74-L76 PolarHBondContact O-N 3.15Å
75	S	26.9	Very low	36.7	Very low	114 Å²	114	124 Å²	124	80%	0.797	76%	0.759	S	S	*	*			trans	-70.3	71.5	170.3	-163.8	0	0	0	0	111.1	V77	S75-V77 VanDerWaalsContact C-N 3.27Å; S75-V77 PolarHBondContact O-N 3.25Å; S75-V77 VanDerWaalsContact O-N 3.14Å
76	L	38.2	Very low	37.2	Very low	151 Å²	151	124.5 Å²	124.5	79%	0.791	75%	0.754	S	S	*	*			trans	-68.5	97.6	148.4	-83.5	167.2	0	0	0	105.7	I74 P78	I74-L76 HydrophobicContact CG2-CG 4.33Å; I74-L76 PolarHBondContact O-N 3.15Å; L76-P78 WeakPolarHBondContact O-CD 3.22Å; L76-P78 VanDerWaalsContact O-N 3.12Å
77	V	35.2	Very low	37.8	Very low	112 Å²	112	122.7 Å²	122.7	68%	0.679	74%	0.742	S	S	*	*			trans	-45.1	120.6	166.9	173.5	0	0	0	0	107.2	S75	S75-V77 VanDerWaalsContact C-N 3.27Å; S75-V77 PolarHBondContact O-N 3.25Å; S75-V77 VanDerWaalsContact O-N 3.14Å
78	P	35.8	Very low	38.7	Very low	105 Å²	105	119.5 Å²	119.5	68%	0.682	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-56.3	127.3	173.8	-20.9	31.6	0	0	0	107.2	L76	L76-P78 WeakPolarHBondContact O-CD 3.22Å; L76-P78 VanDerWaalsContact O-N 3.12Å
79	P	38.7	Very low	39.9	Very low	115 Å²	115	118.9 Å²	118.9	75%	0.747	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-53.9	134.4	173.7	23.6	-32.5	0	0	0	107.5
80	P	39	Very low	41.7	Very low	106 Å²	106	115.2 Å²	115.2	69%	0.688	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-55.7	141.2	-171.1	22.2	-33.5	0	0	0	109.7	I82	P80-I82 PolarHBondContact O-N 3.31Å
81	P	39.3	Very low	43.8	Very low	124 Å²	124	115.7 Å²	115.7	81%	0.805	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-56.3	116.1	-178.7	22.7	-32.8	0	0	0	109.1
82	I	43.8	Very low	46	Very low	146 Å²	146	110.7 Å²	110.7	75%	0.749	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-59.8	126.3	178.7	-60.1	170.9	0	0	0	107	P80	P80-I82 PolarHBondContact O-N 3.31Å
83	P	40.2	Very low	48.4	Very low	89 Å²	89	108.9 Å²	108.9	58%	0.578	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-55.7	138.8	178.8	-26.2	34.8	0	0	0	111.2	D85	P83-D85 PolarHBondContact O-N 3.06Å
84	P	45.8	Very low	50.9	Low	126 Å²	126	112.2 Å²	112.2	82%	0.818	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-4.8	-168.9	27.4	-35.6	0	0	0	115.4
85	D	43.8	Very low	53.4	Low	148 Å²	148	105.9 Å²	105.9	79%	0.791	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	24.8	-169.3	-73.8	-47.1	0	0	0	114.8	P83 P87	P83-D85 PolarHBondContact O-N 3.06Å; D85-P87 WeakPolarHBondContact O-CD 3.32Å
86	V	40.6	Very low	56.1	Low	96 Å²	96	110.1 Å²	110.1	58%	0.582	62%	0.615	S	S	*	*	S	Bend	trans	-88.3	116.3	163.8	-169.8	0	0	0	0	108.5	V88	V86-V88 PolarHBondContact O-N 3Å
87	P	46.6	Very low	58.3	Low	91 Å²	91	105.2 Å²	105.2	59%	0.591	59%	0.593	S	S	*	*			trans	-62.3	112.4	174.6	-17.6	30.2	0	0	0	108.9	D85 I89	D85-P87 WeakPolarHBondContact O-CD 3.32Å; P87-I89 VanDerWaalsContact C-N 3.27Å; P87-I89 PolarHBondContact O-N 2.81Å
88	V	55.9	Low	60.7	Low	90 Å²	90	100 Å²	100	55%	0.545	56%	0.561	S	S	.	*			trans	-71.8	88.8	175.1	-178.6	0	0	0	0	108	V86 K90 Y172	V86-V88 PolarHBondContact O-N 3Å; V88-K90 VanDerWaalsContact C-N 3.27Å; V88-K90 HydrophobicContact CG1-CG 4.23Å; V88-K90 PolarHBondContact O-N 3.36Å; V88-Y172 HydrophobicContact CG1-CE2 3.8Å; V88-Y172 VanDerWaalsContact CG1-OH 3.3Å; V88-Y172 WeakPolarHBondContact CG1-OH 3.48Å
89	I	59	Low	63.2	Low	135 Å²	135	96.2 Å²	96.2	69%	0.692	54%	0.537	S	S	*	.			trans	-68.9	89.2	174.8	-57.9	175	0	0	0	107.5	P87 E91	P87-I89 VanDerWaalsContact C-N 3.27Å; P87-I89 PolarHBondContact O-N 2.81Å; I89-E91 PolarHBondContact O-N 3.31Å
90	K	72.8	Confident	65.5	Low	48 Å²	48	90.8 Å²	90.8	21%	0.209	50%	0.501	C	S	.	.			trans	-63.9	121.9	169.7	-72.7	-174.4	177	-159.2	0	108.3	V88 P102 Y172 S174 Y176	V88-K90 VanDerWaalsContact C-N 3.27Å; V88-K90 HydrophobicContact CG1-CG 4.23Å; V88-K90 PolarHBondContact O-N 3.36Å; K90-P102 HydrophobicContact CB-CB 3.56Å; K90-P102 WeakPolarHBondContact O-CB 3.33Å; K90-P102 WeakPolarHBondContact O-CG 3.31Å; K90-Y172 HydrophobicContact CG-CE1 4.27Å; K90-Y172 PolarHBondContact NZ-O 2.94Å; K90-S174 PolarHBondContact NZ-O 2.98Å; K90-Y176 HydrophobicContact CB-CE2 4.29Å; K90-Y176 HydrophobicContact CD-CD2 4.34Å; K90-Y176 HydrophobicContact CD-CE2 3.72Å; K90-Y176 HydrophobicContact CG-CE2 4.29Å
91	E	79.4	Confident	67.8	Low	156 Å²	156	88.5 Å²	88.5	73%	0.729	48%	0.481	S	S	*	.			trans	-78	167.1	179.9	-63	-171	153.9	0	0	112.4	I89 I93 Y176	I89-E91 PolarHBondContact O-N 3.31Å; E91-I93 PolarHBondContact O-N 3.27Å; E91-Y176 VanDerWaalsContact O-CE1 3.25Å; E91-Y176 WeakPolarHBondContact O-CE1 3.23Å; E91-Y176 PolarHBondContact O-OH 3.04Å
92	I	84.7	Confident	69.9	Low	79 Å²	79	84.8 Å²	84.8	41%	0.405	46%	0.456	S	S	.	.			trans	-82.5	113.4	174.2	-57	172.2	0	0	0	109	H94 T99 F101 P102	I92-H94 VanDerWaalsContact CG2-CE1 3.41Å; I92-H94 WeakPolarHBondContact CG2-CE1 3.13Å; I92-H94 PolarHBondContact O-ND1 3.26Å; I92-T99 HydrophobicContact CG2-CG2 3.55Å; I92-F101 HydrophobicContact CD1-CD1 4.03Å; I92-F101 HydrophobicContact CD1-CE1 4.2Å; I92-F101 HydrophobicContact CG1-CD1 4.2Å; I92-F101 HydrophobicContact CG2-CD1 3.93Å; I92-F101 HydrophobicContact CG2-CE1 3.97Å; I92-P102 HydrophobicContact CG1-CG 4.46Å
93	I	85.2	Confident	71.3	Confident	38 Å²	38	79.7 Å²	79.7	20%	0.195	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.3	-179.7	-54.1	168.4	0	0	0	108.9	E91 L100 L173 Y176	E91-I93 PolarHBondContact O-N 3.27Å; I93-L100 HydrophobicContact CB-CB 4.14Å; I93-L100 HydrophobicContact CB-CD1 4.26Å; I93-L100 HydrophobicContact CB-CG 4.43Å; I93-L100 HydrophobicContact CD1-CD1 4.23Å; I93-L100 HydrophobicContact CG2-CD1 4.47Å; I93-L100 PolarHBondContact N-O 3.29Å; I93-L100 PolarHBondContact O-N 3.48Å; I93-L173 HydrophobicContact CD1-CD2 3.49Å; I93-L173 VanDerWaalsContact CD1-CD2 3.49Å; I93-Y176 HydrophobicContact CD1-CE1 3.93Å; I93-Y176 HydrophobicContact CD1-CE2 4.43Å; I93-Y176 HydrophobicContact CG1-CE1 4.15Å
94	H	84.8	Confident	72.7	Confident	137 Å²	137	79.8 Å²	79.8	63%	0.634	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	116	179.8	-64	79.3	0	0	0	109.9	I92	I92-H94 VanDerWaalsContact CG2-CE1 3.41Å; I92-H94 WeakPolarHBondContact CG2-CE1 3.13Å; I92-H94 PolarHBondContact O-ND1 3.26Å
95	C	84.9	Confident	73.7	Confident	18 Å²	18	78.1 Å²	78.1	12%	0.122	41%	0.414	C	S	.	.			trans	-103.6	165.6	169.6	-53.1	0	0	0	0	109.2	S97 C98 E138	C95-S97 VanDerWaalsContact C-N 3.3Å; C95-S97 PolarHBondContact O-N 3.48Å; C95-C98 CarbonylContact C-O 3.58Å; C95-C98 WeakPolarHBondContact CA-O 3.44Å; C95-C98 VanDerWaalsContact CB-O 3.28Å; C95-C98 WeakPolarHBondContact CB-O 3.39Å; C95-C98 PolarHBondContact N-O 3.42Å; C95-E138 HydrophobicContact CB-CG 4.39Å
96	K	83.9	Confident	74.5	Confident	203 Å²	203	78 Å²	78	88%	0.883	41%	0.414	S	S	*	.	S	Bend	trans	-62.4	-38.4	178.3	-53.2	161.6	-175.3	169.3	0	111.3	E138	K96-E138 WeakPolarHBondContact CA-OE1 3.39Å; K96-E138 WeakPolarHBondContact CB-OE1 3.37Å; K96-E138 WeakPolarHBondContact CD-OE1 3.16Å; K96-E138 WeakPolarHBondContact CG-OE1 3.48Å; K96-E138 PolarHBondContact N-OE1 3.06Å
97	S	84.1	Confident	75.7	Confident	47 Å²	47	77.6 Å²	77.6	33%	0.329	41%	0.408	S	S	.	.	S	Bend	trans	-101.4	-15.6	-175.3	-42.7	0	0	0	0	114.4	C95 E138 G181	C95-S97 VanDerWaalsContact C-N 3.3Å; C95-S97 PolarHBondContact O-N 3.48Å; S97-E138 WeakPolarHBondContact CB-OE2 3.33Å; S97-E138 PolarHBondContact N-OE2 2.91Å; S97-E138 PolarHBondContact OG-OE2 2.92Å; S97-G181 PolarHBondContact O-N 3.07Å
98	C	87.3	Confident	76.7	Confident	2 Å²	2	78 Å²	78	1%	0.014	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	164.3	-176	70.6	0	0	0	0	113.3	C95 I135 V139 R179	C95-C98 CarbonylContact C-O 3.58Å; C95-C98 WeakPolarHBondContact CA-O 3.44Å; C95-C98 VanDerWaalsContact CB-O 3.28Å; C95-C98 WeakPolarHBondContact CB-O 3.39Å; C95-C98 PolarHBondContact N-O 3.42Å; C98-I135 HydrophobicContact CB-CG2 4.08Å; C98-V139 WeakPolarHBondContact SG-CG2 3.46Å; C98-R179 CarbonylContact C-O 3.52Å; C98-R179 WeakPolarHBondContact CA-O 3.1Å; C98-R179 WeakPolarHBondContact CB-O 3.48Å
99	T	87.7	Confident	77.3	Confident	27 Å²	27	79.3 Å²	79.3	17%	0.166	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.6	173.1	-48.3	0	0	0	0	109.7	I92 F101 R179	I92-T99 HydrophobicContact CG2-CG2 3.55Å; T99-F101 HydrophobicContact CG2-CD2 4.39Å; T99-F101 HydrophobicContact CG2-CE1 4.21Å; T99-F101 HydrophobicContact CG2-CE2 3.79Å; T99-F101 HydrophobicContact CG2-CZ 3.68Å; T99-R179 PolarHBondContact N-O 2.99Å; T99-R179 PolarHBondContact O-N 3.09Å
100	L	87.5	Confident	78	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.005	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114	176.4	-48.5	179	0	0	0	109.4	I93 V139 Y176 R177 M178 I192	I93-L100 HydrophobicContact CB-CB 4.14Å; I93-L100 HydrophobicContact CB-CD1 4.26Å; I93-L100 HydrophobicContact CB-CG 4.43Å; I93-L100 HydrophobicContact CD1-CD1 4.23Å; I93-L100 HydrophobicContact CG2-CD1 4.47Å; I93-L100 PolarHBondContact N-O 3.29Å; I93-L100 PolarHBondContact O-N 3.48Å; L100-V139 HydrophobicContact CD1-CG1 3.77Å; L100-V139 HydrophobicContact CD1-CG2 4.35Å; L100-V139 HydrophobicContact CD2-CG2 4.36Å; L100-Y176 HydrophobicContact CB-CD1 3.57Å; L100-Y176 HydrophobicContact CB-CE1 4.23Å; L100-Y176 HydrophobicContact CB-CG 4.21Å; L100-R177 WeakPolarHBondContact CA-O 3.42Å; L100-M178 HydrophobicContact CD2-CB 3.68Å; L100-M178 HydrophobicContact CD2-CG 3.72Å; L100-M178 HydrophobicContact CD2-SD 4.36Å; L100-I192 HydrophobicContact CD2-CD1 4.5Å
101	F	85.6	Confident	78.1	Confident	58 Å²	58	77.2 Å²	77.2	25%	0.254	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136.4	175.2	-62.1	-87.2	0	0	0	110.5	I92 T99 Y176 R177 R179	I92-F101 HydrophobicContact CD1-CD1 4.03Å; I92-F101 HydrophobicContact CD1-CE1 4.2Å; I92-F101 HydrophobicContact CG1-CD1 4.2Å; I92-F101 HydrophobicContact CG2-CD1 3.93Å; I92-F101 HydrophobicContact CG2-CE1 3.97Å; T99-F101 HydrophobicContact CG2-CD2 4.39Å; T99-F101 HydrophobicContact CG2-CE1 4.21Å; T99-F101 HydrophobicContact CG2-CE2 3.79Å; T99-F101 HydrophobicContact CG2-CZ 3.68Å; F101-Y176 CarbonylContact O-C 3.54Å; F101-Y176 WeakPolarHBondContact O-CA 3.4Å; F101-Y176 WeakPolarHBondContact O-CD1 3.42Å; F101-R177 HydrophobicContact CB-CB 4.4Å; F101-R177 PolarHBondContact N-O 2.92Å; F101-R177 PolarHBondContact O-N 2.72Å; F101-R179 HydrophobicContact CE2-CB 4.2Å
102	P	83.9	Confident	78.3	Confident	45 Å²	45	73.3 Å²	73.3	29%	0.292	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-65.6	160.3	179.3	31	-39.1	0	0	0	112.2	K90 I92 Y176	K90-P102 HydrophobicContact CB-CB 3.56Å; K90-P102 WeakPolarHBondContact O-CB 3.33Å; K90-P102 WeakPolarHBondContact O-CG 3.31Å; I92-P102 HydrophobicContact CG1-CG 4.46Å; P102-Y176 HydrophobicContact CB-CE1 4.27Å
103	Q	74.3	Confident	78.4	Confident	39 Å²	39	77.9 Å²	77.9	18%	0.182	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-73.2	148.2	167.5	-175.7	161.5	-29.3	0	0	109.9	P105 L107 P108 G175	Q103-P105 WeakPolarHBondContact O-CD 3.29Å; Q103-L107 HydrophobicContact CG-CB 4.16Å; Q103-L107 HydrophobicContact CG-CD1 3.98Å; Q103-L107 VanDerWaalsContact NE2-CB 3.28Å; Q103-P108 PolarHBondContact NE2-O 3.15Å; Q103-G175 PolarHBondContact OE1-O 3.06Å
104	N	68.9	Low	78.5	Confident	92 Å²	92	84.9 Å²	84.9	49%	0.492	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-57.5	125.7	171	-177.6	-26.2	0	0	0	109	N106 L107	N104-N106 PolarHBondContact O-N 3.34Å; N104-N106 WeakPolarHBondContact OD1-CB 3.42Å; N104-N106 PolarHBondContact OD1-N 3.03Å; N104-L107 HydrophobicContact CB-CD1 4.21Å; N104-L107 HydrophobicContact CB-CG 4.43Å; N104-L107 PolarHBondContact O-N 3.07Å; N104-L107 VanDerWaalsContact O-N 3.11Å
105	P	65.9	Low	78.8	Confident	91 Å²	91	83 Å²	83	59%	0.591	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-24	-179.4	-28.1	35.8	0	0	0	114.9	Q103 L107	Q103-P105 WeakPolarHBondContact O-CD 3.29Å; P105-L107 PolarHBondContact O-N 2.83Å
106	N	61.2	Low	79.2	Confident	146 Å²	146	83.4 Å²	83.4	78%	0.781	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	3.9	-178.8	-59.6	-14.6	0	0	0	114	N104	N104-N106 PolarHBondContact O-N 3.34Å; N104-N106 WeakPolarHBondContact OD1-CB 3.42Å; N104-N106 PolarHBondContact OD1-N 3.03Å
107	L	66.4	Low	79.5	Confident	86 Å²	86	77 Å²	77	45%	0.45	42%	0.423	S	S	.	.	S	Bend	trans	-103.9	143.8	176.1	-68.3	172.1	0	0	0	110	Q103 N104 P105	Q103-L107 HydrophobicContact CG-CB 4.16Å; Q103-L107 HydrophobicContact CG-CD1 3.98Å; Q103-L107 VanDerWaalsContact NE2-CB 3.28Å; N104-L107 HydrophobicContact CB-CD1 4.21Å; N104-L107 HydrophobicContact CB-CG 4.43Å; N104-L107 PolarHBondContact O-N 3.07Å; N104-L107 VanDerWaalsContact O-N 3.11Å; P105-L107 PolarHBondContact O-N 2.83Å
108	P	67.7	Low	79.8	Confident	101 Å²	101	75 Å²	75	66%	0.656	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-57.6	145.9	179	24.6	-34.3	0	0	0	111.4	Q103	Q103-P108 PolarHBondContact NE2-O 3.15Å
109	P	67	Low	80.1	Confident	116 Å²	116	75 Å²	75	75%	0.753	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-60.3	148.8	177.4	25.5	-33.9	0	0	0	110.8	S111	P109-S111 PolarHBondContact O-N 3.39Å
110	P	74.3	Confident	80.5	Confident	39 Å²	39	75.1 Å²	75.1	25%	0.253	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-56.9	134.7	175.2	-22.3	32.6	0	0	0	111.3	T112	P110-T112 PolarHBondContact O-N 3.45Å
111	S	76.1	Confident	80.8	Confident	100 Å²	100	75.5 Å²	75.5	70%	0.699	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-65.1	121	176	55.4	0	0	0	0	111	P109 H193	P109-S111 PolarHBondContact O-N 3.39Å; S111-H193 PolarHBondContact O-CE1 2.98Å
112	T	82.6	Confident	81.3	Confident	75 Å²	75	72.8 Å²	72.8	46%	0.46	40%	0.399	S	S	.	.			trans	-104.7	150.8	171.6	54.1	0	0	0	0	110.9	P110 I171 D195	P110-T112 PolarHBondContact O-N 3.45Å; T112-I171 HydrophobicContact CG2-CG2 4.07Å; T112-D195 WeakPolarHBondContact CA-OD1 3.43Å
113	R	86.4	Confident	81.8	Confident	175 Å²	175	73.2 Å²	73.2	66%	0.66	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-74.7	170	171.3	-67.1	166	-162.7	-140	-7	111.5	D195 F196	R113-D195 WeakPolarHBondContact CD-OD2 3.5Å; R113-D195 VanDerWaalsContact CG-OD2 3.23Å; R113-D195 WeakPolarHBondContact CG-OD2 3.32Å; R113-D195 IonicContact CZ-OD2 3.07Å; R113-D195 PolarHBondContact N-OD1 3.22Å; R113-D195 IonicContact NE-OD2 2.71Å; R113-D195 PolarHBondContact NE-OD2 3.41Å; R113-F196 VanDerWaalsContact O-CD2 3.29Å; R113-F196 WeakPolarHBondContact O-CD2 3.34Å
114	E	87.7	Confident	82.8	Confident	185 Å²	185	71.3 Å²	71.3	86%	0.864	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-61.9	141.3	159.5	-78.6	-170.9	134.9	0	0	110.5	P116	E114-P116 VanDerWaalsContact O-CD 3.32Å; E114-P116 WeakPolarHBondContact O-CD 3.35Å
115	R	92.2	Very high	83.9	Confident	98 Å²	98	67.3 Å²	67.3	37%	0.37	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-72.6	119.4	179	-175.5	-178.8	-154.7	143.6	5.5	110.1	C119 E164 D168 F196	R115-C119 HydrophobicContact CG-CB 4.08Å; R115-E164 PolarHBondContact NH2-O 3.35Å; R115-D168 IonicContact CZ-OD1 3.1Å; R115-D168 IonicContact CZ-OD2 3.3Å; R115-D168 IonicContact NH1-OD1 2.98Å; R115-D168 PolarHBondContact NH1-OD1 2.93Å; R115-D168 IonicContact NH1-OD2 2.73Å; R115-D168 PolarHBondContact NH1-OD2 2.85Å; R115-D168 IonicContact NH2-OD1 3.55Å; R115-D168 PolarHBondContact NH2-OD1 3Å; R115-D168 IonicContact NH2-OD2 2.79Å; R115-D168 PolarHBondContact NH2-OD2 3.35Å; R115-F196 HydrophobicContact CB-CD1 4.06Å; R115-F196 HydrophobicContact CB-CD2 4.25Å; R115-F196 HydrophobicContact CB-CE1 3.9Å; R115-F196 HydrophobicContact CB-CE2 4.1Å; R115-F196 HydrophobicContact CB-CG 4.23Å; R115-F196 HydrophobicContact CB-CZ 3.92Å; R115-F196 HydrophobicContact CG-CD1 3.77Å; R115-F196 HydrophobicContact CG-CE1 3.61Å; R115-F196 HydrophobicContact CG-CG 4.39Å; R115-F196 HydrophobicContact CG-CZ 4.12Å
116	P	92	Very high	85	Confident	26 Å²	26	64.9 Å²	64.9	17%	0.169	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-62.9	149.9	173.9	-21.9	34	0	0	0	112	E114 G118 C119 Q198	E114-P116 VanDerWaalsContact O-CD 3.32Å; E114-P116 WeakPolarHBondContact O-CD 3.35Å; P116-G118 PolarHBondContact O-N 2.9Å; P116-C119 HydrophobicContact CB-CB 4.24Å; P116-C119 HydrophobicContact CG-CB 4.45Å; P116-C119 WeakPolarHBondContact O-CB 3.45Å; P116-C119 PolarHBondContact O-N 3.27Å; P116-C119 VanDerWaalsContact O-N 3.12Å; P116-Q198 HydrophobicContact CG-CB 4.22Å; P116-Q198 HydrophobicContact CG-CG 4.47Å
117	P	90.4	Very high	86.4	Confident	67 Å²	67	58.2 Å²	58.2	44%	0.435	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	129	174.6	-23.7	33.7	0	0	0	111.9	C119 W206	P117-C119 PolarHBondContact O-N 3.31Å; P117-W206 HydrophobicContact CB-CD2 3.66Å; P117-W206 HydrophobicContact CB-CE3 4.02Å; P117-W206 HydrophobicContact CB-CG 4.08Å; P117-W206 HydrophobicContact CB-CH2 4.26Å; P117-W206 HydrophobicContact CB-CZ2 3.91Å; P117-W206 HydrophobicContact CB-CZ3 4.3Å
118	G	90.8	Very high	87.5	Confident	6 Å²	6	54.3 Å²	54.3	6%	0.062	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	14.8	-178.8	0	0	0	0	0	115.5	P116 K120	P116-G118 PolarHBondContact O-N 2.9Å; G118-K120 PolarHBondContact O-N 2.9Å
119	C	94.2	Very high	88.4	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.014	29%	0.294	C	S	.	.			trans	-54.7	113.5	-178.2	179.5	0	0	0	0	111.9	R115 P116 P117 T121 I167	R115-C119 HydrophobicContact CG-CB 4.08Å; P116-C119 HydrophobicContact CB-CB 4.24Å; P116-C119 HydrophobicContact CG-CB 4.45Å; P116-C119 WeakPolarHBondContact O-CB 3.45Å; P116-C119 PolarHBondContact O-N 3.27Å; P116-C119 VanDerWaalsContact O-N 3.12Å; P117-C119 PolarHBondContact O-N 3.31Å; C119-T121 PolarHBondContact SG-O 3.21Å; C119-I167 WeakPolarHBondContact O-CG1 3.1Å
120	K	94.9	Very high	89.4	Confident	29 Å²	29	52.6 Å²	52.6	13%	0.126	28%	0.279	C	S	.	.			trans	-117.1	5.5	171.7	-66.5	-177.2	174.2	-162.9	0	112.1	G118 R160 F161 S162 E163 E164 I167 D202	G118-K120 PolarHBondContact O-N 2.9Å; K120-R160 CarbonylContact O-C 3.51Å; K120-R160 WeakPolarHBondContact O-CA 3.44Å; K120-F161 PolarHBondContact O-N 2.96Å; K120-S162 WeakPolarHBondContact CD-O 3.48Å; K120-S162 WeakPolarHBondContact CE-O 3.36Å; K120-S162 PolarHBondContact NZ-O 2.83Å; K120-E163 IonicContact NZ-OE2 2.72Å; K120-E164 HydrophobicContact CD-CG 4.46Å; K120-E164 HydrophobicContact CG-CG 3.79Å; K120-I167 WeakPolarHBondContact O-CD1 3.46Å; K120-D202 WeakPolarHBondContact CA-OD2 3.37Å; K120-D202 PolarHBondContact N-OD2 3.39Å
121	T	95.4	Very high	90	Very high	10 Å²	10	50.7 Å²	50.7	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.1	-178.9	-50.8	0	0	0	0	110.9	C119 H158 I159 R160 A197 A199 D202	C119-T121 PolarHBondContact SG-O 3.21Å; T121-H158 HydrophobicContact CG2-CB 4Å; T121-I159 CarbonylContact C-O 3.55Å; T121-I159 VanDerWaalsContact CA-O 3.3Å; T121-I159 WeakPolarHBondContact CA-O 3.45Å; T121-R160 HydrophobicContact CG2-CB 4.48Å; T121-A197 HydrophobicContact CG2-CB 3.89Å; T121-A197 WeakPolarHBondContact O-CB 3.45Å; T121-A197 PolarHBondContact O-N 3.24Å; T121-A199 HydrophobicContact CG2-CB 4.34Å; T121-A199 WeakPolarHBondContact OG1-CB 3.27Å; T121-D202 VanDerWaalsContact CB-OD2 3.32Å; T121-D202 WeakPolarHBondContact CB-OD2 3.48Å; T121-D202 PolarHBondContact N-OD2 2.95Å; T121-D202 PolarHBondContact OG1-OD2 2.94Å
122	V	94.9	Very high	90.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	149	167.5	-66.9	0	0	0	0	111.6	V124 H158 I159 F161 I167 A170 I171 V194 D195	V122-V124 HydrophobicContact CG2-CG2 4.04Å; V122-H158 CarbonylContact O-C 3.59Å; V122-H158 VanDerWaalsContact O-CA 3.26Å; V122-H158 WeakPolarHBondContact O-CA 3.49Å; V122-I159 HydrophobicContact CG2-CB 3.82Å; V122-I159 HydrophobicContact CG2-CG1 4.48Å; V122-I159 PolarHBondContact N-O 3.14Å; V122-I159 PolarHBondContact O-N 2.96Å; V122-F161 HydrophobicContact CG2-CE2 3.89Å; V122-I167 HydrophobicContact CG1-CD1 3.87Å; V122-I167 HydrophobicContact CG1-CG2 3.75Å; V122-A170 HydrophobicContact CG1-CB 3.97Å; V122-A170 HydrophobicContact CG2-CB 4.35Å; V122-I171 HydrophobicContact CG1-CD1 4.47Å; V122-V194 HydrophobicContact CB-CG1 3.77Å; V122-V194 HydrophobicContact CG1-CG1 3.94Å; V122-V194 HydrophobicContact CG2-CG1 4.11Å; V122-D195 WeakPolarHBondContact CA-O 3.39Å
123	F	95.1	Very high	91.1	Very high	54 Å²	54	49.3 Å²	49.3	24%	0.237	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.6	162	169.9	-94.8	0	0	0	108.4	F156 H158 V194 D195 A197	F123-F156 HydrophobicContact CD2-CD2 4.19Å; F123-F156 HydrophobicContact CE2-CB 3.7Å; F123-F156 HydrophobicContact CE2-CD1 4.38Å; F123-F156 AromaticContact CE2-CD2 3.63Å; F123-F156 HydrophobicContact CE2-CD2 3.63Å; F123-F156 HydrophobicContact CE2-CE2 4.31Å; F123-F156 AromaticContact CE2-CG 3.68Å; F123-F156 HydrophobicContact CE2-CG 3.68Å; F123-F156 HydrophobicContact CZ-CB 3.88Å; F123-F156 HydrophobicContact CZ-CG 4.24Å; F123-H158 AromaticContact CD2-NE2 3.69Å; F123-V194 VanDerWaalsContact O-CA 3.31Å; F123-V194 WeakPolarHBondContact O-CA 3.48Å; F123-D195 HydrophobicContact CD1-CB 4.45Å; F123-D195 PolarHBondContact N-O 3.11Å; F123-D195 PolarHBondContact O-N 3.29Å; F123-A197 HydrophobicContact CB-CB 4.22Å
124	V	94.1	Very high	91.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	107.8	173.8	-172.9	0	0	0	0	108.8	V122 L127 F140 F156 C157 I159 I192 H193 V194	V122-V124 HydrophobicContact CG2-CG2 4.04Å; V124-L127 HydrophobicContact CG1-CD1 4.45Å; V124-L127 HydrophobicContact CG1-CD2 3.99Å; V124-L127 HydrophobicContact CG1-CG 4.19Å; V124-F140 HydrophobicContact CB-CZ 4.38Å; V124-F140 HydrophobicContact CG1-CE2 3.98Å; V124-F140 HydrophobicContact CG1-CZ 3.83Å; V124-F140 HydrophobicContact CG2-CE1 4.08Å; V124-F140 HydrophobicContact CG2-CE2 3.96Å; V124-F140 HydrophobicContact CG2-CZ 3.59Å; V124-F156 CarbonylContact O-C 3.44Å; V124-F156 WeakPolarHBondContact O-CA 3.47Å; V124-F156 WeakPolarHBondContact O-CB 3.48Å; V124-C157 PolarHBondContact N-O 2.77Å; V124-C157 PolarHBondContact O-N 2.94Å; V124-I159 HydrophobicContact CG2-CD1 3.88Å; V124-I159 HydrophobicContact CG2-CG1 4.31Å; V124-I192 HydrophobicContact CG1-CB 4.49Å; V124-H193 CarbonylContact C-O 3.56Å; V124-H193 WeakPolarHBondContact CA-O 3.46Å; V124-V194 HydrophobicContact CG1-CG2 4.33Å; V124-V194 HydrophobicContact CG2-CG1 4.25Å; V124-V194 HydrophobicContact CG2-CG2 4.3Å
125	G	91.7	Very high	91.4	Very high	8 Å²	8	37.9 Å²	37.9	8%	0.082	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	167.5	174.6	0	0	0	0	0	113	L127 I192 H193	G125-L127 VanDerWaalsContact C-N 3.35Å; G125-L127 PolarHBondContact O-N 2.95Å; G125-I192 WeakPolarHBondContact O-CA 3.19Å; G125-H193 PolarHBondContact N-O 3.15Å; G125-H193 PolarHBondContact O-N 3.1Å
126	G	89.2	Confident	91.4	Very high	39 Å²	39	33.3 Å²	33.3	40%	0.402	19%	0.189	S	C	.	.			trans	75.7	20.3	172.7	0	0	0	0	0	115	N155 G190 R191	G126-N155 PolarHBondContact N-O 2.83Å; G126-G190 CarbonylContact O-C 3.58Å; G126-R191 WeakPolarHBondContact CA-O 3.4Å; G126-R191 CarbonylContact O-C 3.49Å; G126-R191 PolarHBondContact O-N 2.9Å
127	L	90.8	Very high	91.5	Very high	7 Å²	7	36 Å²	36	4%	0.037	20%	0.196	C	C	.	.			trans	-64.6	146.6	175	-66.1	164.4	0	0	0	110.9	V124 G125 A131 I136 N155 C157 M178 I192	V124-L127 HydrophobicContact CG1-CD1 4.45Å; V124-L127 HydrophobicContact CG1-CD2 3.99Å; V124-L127 HydrophobicContact CG1-CG 4.19Å; G125-L127 VanDerWaalsContact C-N 3.35Å; G125-L127 PolarHBondContact O-N 2.95Å; L127-A131 HydrophobicContact CB-CB 4.43Å; L127-I136 HydrophobicContact CD1-CD1 3.76Å; L127-I136 HydrophobicContact CD1-CG1 4.34Å; L127-I136 HydrophobicContact CD2-CD1 4.46Å; L127-I136 HydrophobicContact CD2-CG1 4.16Å; L127-N155 PolarHBondContact N-O 3.3Å; L127-N155 WeakPolarHBondContact O-CB 3.26Å; L127-C157 HydrophobicContact CD1-CB 4.29Å; L127-M178 HydrophobicContact CD2-SD 4.13Å; L127-I192 HydrophobicContact CD2-CG2 3.92Å
128	P	89.3	Confident	91.5	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.026	18%	0.184	C	C	.	.			trans	-56.2	149.3	166.7	-20.1	29.3	0	0	0	112	N130 A131 M178 I180 K187	P128-N130 VanDerWaalsContact C-N 3.26Å; P128-N130 PolarHBondContact O-N 3.34Å; P128-A131 HydrophobicContact CB-CB 4.3Å; P128-A131 HydrophobicContact CG-CB 4.46Å; P128-A131 VanDerWaalsContact O-CB 3.26Å; P128-A131 WeakPolarHBondContact O-CB 3.37Å; P128-A131 PolarHBondContact O-N 3.48Å; P128-A131 VanDerWaalsContact O-N 3.12Å; P128-M178 HydrophobicContact CG-CB 4.4Å; P128-M178 HydrophobicContact CG-CE 4.09Å; P128-M178 HydrophobicContact CG-CG 4.14Å; P128-M178 HydrophobicContact CG-SD 4.3Å; P128-I180 HydrophobicContact CB-CD1 3.76Å; P128-I180 HydrophobicContact CB-CG1 4.47Å; P128-I180 HydrophobicContact CG-CD1 4.01Å; P128-I180 HydrophobicContact CG-CG1 4.27Å; P128-K187 VanDerWaalsContact CB-O 3.31Å; P128-K187 WeakPolarHBondContact CB-O 3.36Å
129	E	86.8	Confident	91.5	Very high	100 Å²	100	34.6 Å²	34.6	47%	0.467	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-41.6	179.2	-170.1	176.6	-165.5	0	0	110.9	A131 K187	E129-A131 VanDerWaalsContact C-N 3.3Å; E129-A131 PolarHBondContact O-N 3.06Å; E129-K187 PolarHBondContact N-O 2.78Å; E129-K187 VanDerWaalsContact N-O 3.1Å; E129-K187 WeakPolarHBondContact OE2-CD 3.34Å; E129-K187 WeakPolarHBondContact OE2-CE 3.46Å; E129-K187 WeakPolarHBondContact OE2-CG 3.23Å; E129-K187 IonicContact OE2-NZ 3.22Å
130	N	87.7	Confident	91.4	Very high	80 Å²	80	34.7 Å²	34.7	43%	0.428	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	3.7	-179.5	-66.7	-19.5	0	0	0	114.4	P128 T132 I180 K187 D188	P128-N130 VanDerWaalsContact C-N 3.26Å; P128-N130 PolarHBondContact O-N 3.34Å; N130-T132 PolarHBondContact O-N 3.12Å; N130-T132 VanDerWaalsContact O-N 3.09Å; N130-I180 HydrophobicContact CB-CD1 4.31Å; N130-K187 PolarHBondContact N-O 2.95Å; N130-D188 WeakPolarHBondContact CB-OD1 3.37Å; N130-D188 PolarHBondContact ND2-OD1 3.42Å
131	A	88.8	Confident	91.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.			trans	-69.7	105.3	179.3	0	0	0	0	0	111.5	L127 P128 E129 K151 M178 I180	L127-A131 HydrophobicContact CB-CB 4.43Å; P128-A131 HydrophobicContact CB-CB 4.3Å; P128-A131 HydrophobicContact CG-CB 4.46Å; P128-A131 VanDerWaalsContact O-CB 3.26Å; P128-A131 WeakPolarHBondContact O-CB 3.37Å; P128-A131 PolarHBondContact O-N 3.48Å; P128-A131 VanDerWaalsContact O-N 3.12Å; E129-A131 VanDerWaalsContact C-N 3.3Å; E129-A131 PolarHBondContact O-N 3.06Å; A131-K151 WeakPolarHBondContact O-CE 3.3Å; A131-K151 PolarHBondContact O-NZ 3.26Å; A131-M178 HydrophobicContact CB-CE 3.71Å; A131-I180 HydrophobicContact CB-CD1 3.98Å
132	T	90.3	Very high	90.8	Very high	68 Å²	68	43.2 Å²	43.2	42%	0.417	23%	0.225	S	C	.	.			trans	-70.3	164.4	174.4	62.9	0	0	0	0	111.5	N130 D134 I135 I136	N130-T132 PolarHBondContact O-N 3.12Å; N130-T132 VanDerWaalsContact O-N 3.09Å; T132-D134 PolarHBondContact O-N 3.33Å; T132-I135 PolarHBondContact O-N 2.99Å; T132-I135 WeakPolarHBondContact OG1-CG1 3.46Å; T132-I135 PolarHBondContact OG1-N 2.83Å; T132-I136 WeakPolarHBondContact O-CG1 3.29Å; T132-I136 PolarHBondContact O-N 2.87Å
133	E	90.6	Very high	90.5	Very high	77 Å²	77	43.7 Å²	43.7	36%	0.36	23%	0.228	S	C	.	.	H	α-helix	trans	-60.2	-34.6	175.6	-164.8	-176.2	125.7	0	0	111.8	I136 R137 I149	E133-I136 WeakPolarHBondContact O-CB 3.29Å; E133-I136 PolarHBondContact O-N 2.87Å; E133-R137 WeakPolarHBondContact O-CB 3.4Å; E133-R137 PolarHBondContact O-N 3.34Å; E133-R137 IonicContact OE1-CZ 3.34Å; E133-R137 IonicContact OE1-NH1 3.48Å; E133-R137 PolarHBondContact OE1-NH1 2.73Å; E133-R137 IonicContact OE1-NH2 3.86Å; E133-R137 PolarHBondContact OE1-NH2 3.28Å; E133-I149 HydrophobicContact CG-CB 4.06Å; E133-I149 HydrophobicContact CG-CD1 4.16Å; E133-I149 HydrophobicContact CG-CG2 3.9Å
134	D	90.8	Very high	90.3	Very high	106 Å²	106	41.8 Å²	41.8	57%	0.567	22%	0.224	S	C	*	.	H	α-helix	trans	-68.5	-36.8	179.5	-53.5	-55.4	0	0	0	112.7	T132 I136 R137 E138	T132-D134 PolarHBondContact O-N 3.33Å; D134-I136 VanDerWaalsContact C-N 3.33Å; D134-R137 PolarHBondContact O-N 3.1Å; D134-R137 IonicContact OD1-NH1 3.45Å; D134-R137 PolarHBondContact OD1-NH1 2.67Å; D134-E138 VanDerWaalsContact O-CB 3.31Å; D134-E138 WeakPolarHBondContact O-CB 3.38Å; D134-E138 PolarHBondContact O-N 3.31Å
135	I	90.3	Very high	90.3	Very high	15 Å²	15	47.8 Å²	47.8	8%	0.077	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-39.7	173.5	-62.4	169.2	0	0	0	110.3	C98 T132 E138 V139 M178 I180	C98-I135 HydrophobicContact CB-CG2 4.08Å; T132-I135 PolarHBondContact O-N 2.99Å; T132-I135 WeakPolarHBondContact OG1-CG1 3.46Å; T132-I135 PolarHBondContact OG1-N 2.83Å; I135-E138 PolarHBondContact O-N 3.32Å; I135-V139 WeakPolarHBondContact O-CG2 3.26Å; I135-V139 PolarHBondContact O-N 2.86Å; I135-M178 HydrophobicContact CG2-CE 3.56Å; I135-I180 HydrophobicContact CD1-CD1 4.21Å; I135-I180 HydrophobicContact CD1-CG1 4.41Å; I135-I180 HydrophobicContact CD1-CG2 3.93Å
136	I	91.6	Very high	90.5	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-46.2	176.4	-63.7	165	0	0	0	109.9	L127 T132 E133 D134 V139 F140 I149 K151 I159	L127-I136 HydrophobicContact CD1-CD1 3.76Å; L127-I136 HydrophobicContact CD1-CG1 4.34Å; L127-I136 HydrophobicContact CD2-CD1 4.46Å; L127-I136 HydrophobicContact CD2-CG1 4.16Å; T132-I136 WeakPolarHBondContact O-CG1 3.29Å; T132-I136 PolarHBondContact O-N 2.87Å; E133-I136 WeakPolarHBondContact O-CB 3.29Å; E133-I136 PolarHBondContact O-N 2.87Å; D134-I136 VanDerWaalsContact C-N 3.33Å; I136-V139 PolarHBondContact O-N 3.12Å; I136-F140 HydrophobicContact CG2-CD2 4.05Å; I136-F140 HydrophobicContact CG2-CE2 4.49Å; I136-F140 WeakPolarHBondContact O-CD2 3.31Å; I136-F140 PolarHBondContact O-N 3.34Å; I136-F140 VanDerWaalsContact O-N 3.07Å; I136-I149 HydrophobicContact CG2-CD1 4.44Å; I136-I149 HydrophobicContact CG2-CG2 4.39Å; I136-K151 HydrophobicContact CD1-CD 4.25Å; I136-I159 HydrophobicContact CG2-CD1 3.68Å; I136-I159 HydrophobicContact CG2-CG1 4.43Å
137	R	93.1	Very high	90.7	Very high	83 Å²	83	51.7 Å²	51.7	31%	0.313	26%	0.261	S	S	.	.	H	α-helix	trans	-56.4	-51.4	174.9	-175.8	175	-78.4	102.6	5.3	110.3	E133 D134 V139 F140 D141 I146 I149	E133-R137 WeakPolarHBondContact O-CB 3.4Å; E133-R137 PolarHBondContact O-N 3.34Å; E133-R137 IonicContact OE1-CZ 3.34Å; E133-R137 IonicContact OE1-NH1 3.48Å; E133-R137 PolarHBondContact OE1-NH1 2.73Å; E133-R137 IonicContact OE1-NH2 3.86Å; E133-R137 PolarHBondContact OE1-NH2 3.28Å; D134-R137 PolarHBondContact O-N 3.1Å; D134-R137 IonicContact OD1-NH1 3.45Å; D134-R137 PolarHBondContact OD1-NH1 2.67Å; R137-V139 VanDerWaalsContact C-N 3.26Å; R137-V139 PolarHBondContact O-N 2.7Å; R137-F140 PolarHBondContact O-N 2.87Å; R137-F140 VanDerWaalsContact O-N 3.15Å; R137-D141 WeakPolarHBondContact O-CB 3.31Å; R137-D141 PolarHBondContact O-N 2.7Å; R137-I146 HydrophobicContact CG-CD1 4.39Å; R137-I149 HydrophobicContact CB-CD1 3.71Å; R137-I149 HydrophobicContact CG-CD1 4.29Å
138	E	91.4	Very high	90.9	Very high	39 Å²	39	52.8 Å²	52.8	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-54.9	-38.2	-179.4	-165.8	-169.9	169.2	0	0	113.5	C95 K96 S97 D134 I135	C95-E138 HydrophobicContact CB-CG 4.39Å; K96-E138 WeakPolarHBondContact CA-OE1 3.39Å; K96-E138 WeakPolarHBondContact CB-OE1 3.37Å; K96-E138 WeakPolarHBondContact CD-OE1 3.16Å; K96-E138 WeakPolarHBondContact CG-OE1 3.48Å; K96-E138 PolarHBondContact N-OE1 3.06Å; S97-E138 WeakPolarHBondContact CB-OE2 3.33Å; S97-E138 PolarHBondContact N-OE2 2.91Å; S97-E138 PolarHBondContact OG-OE2 2.92Å; D134-E138 VanDerWaalsContact O-CB 3.31Å; D134-E138 WeakPolarHBondContact O-CB 3.38Å; D134-E138 PolarHBondContact O-N 3.31Å; I135-E138 PolarHBondContact O-N 3.32Å
139	V	90.8	Very high	91.1	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-71.5	-48.8	176.5	166.1	0	0	0	0	111.9	C98 L100 I135 I136 R137 L173	C98-V139 WeakPolarHBondContact SG-CG2 3.46Å; L100-V139 HydrophobicContact CD1-CG1 3.77Å; L100-V139 HydrophobicContact CD1-CG2 4.35Å; L100-V139 HydrophobicContact CD2-CG2 4.36Å; I135-V139 WeakPolarHBondContact O-CG2 3.26Å; I135-V139 PolarHBondContact O-N 2.86Å; I136-V139 PolarHBondContact O-N 3.12Å; R137-V139 VanDerWaalsContact C-N 3.26Å; R137-V139 PolarHBondContact O-N 2.7Å; V139-L173 HydrophobicContact CG1-CD1 3.85Å
140	F	92.9	Very high	91.4	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.013	28%	0.281	C	S	.	.	H	α-helix	trans	-87.6	-16.9	-169.8	-76.3	-82.1	0	0	0	114.2	V124 I136 R137 Q142 C143 I146 I159 F161 A170 L173 I192 V194	V124-F140 HydrophobicContact CB-CZ 4.38Å; V124-F140 HydrophobicContact CG1-CE2 3.98Å; V124-F140 HydrophobicContact CG1-CZ 3.83Å; V124-F140 HydrophobicContact CG2-CE1 4.08Å; V124-F140 HydrophobicContact CG2-CE2 3.96Å; V124-F140 HydrophobicContact CG2-CZ 3.59Å; I136-F140 HydrophobicContact CG2-CD2 4.05Å; I136-F140 HydrophobicContact CG2-CE2 4.49Å; I136-F140 WeakPolarHBondContact O-CD2 3.31Å; I136-F140 PolarHBondContact O-N 3.34Å; I136-F140 VanDerWaalsContact O-N 3.07Å; R137-F140 PolarHBondContact O-N 2.87Å; R137-F140 VanDerWaalsContact O-N 3.15Å; F140-Q142 PolarHBondContact O-N 2.98Å; F140-C143 WeakPolarHBondContact O-CA 3.42Å; F140-C143 VanDerWaalsContact O-CB 3.22Å; F140-C143 WeakPolarHBondContact O-CB 3.42Å; F140-C143 PolarHBondContact O-N 2.82Å; F140-I146 HydrophobicContact CB-CD1 3.89Å; F140-I159 HydrophobicContact CB-CD1 3.77Å; F140-I159 HydrophobicContact CD1-CD1 4Å; F140-I159 HydrophobicContact CD2-CD1 3.34Å; F140-I159 HydrophobicContact CE1-CD1 4.47Å; F140-I159 HydrophobicContact CE2-CD1 3.9Å; F140-I159 HydrophobicContact CG-CD1 3.41Å; F140-I159 VanDerWaalsContact CG-CD1 3.41Å; F140-I159 HydrophobicContact CZ-CD1 4.43Å; F140-F161 HydrophobicContact CB-CZ 4.25Å; F140-F161 HydrophobicContact CD1-CZ 4.35Å; F140-A170 HydrophobicContact CD1-CB 4.07Å; F140-A170 HydrophobicContact CE1-CB 4.16Å; F140-L173 HydrophobicContact CD1-CD1 4.16Å; F140-L173 HydrophobicContact CE1-CB 4.48Å; F140-L173 HydrophobicContact CE1-CD1 3.94Å; F140-L173 HydrophobicContact CZ-CD1 4.38Å; F140-I192 HydrophobicContact CZ-CD1 4.49Å; F140-V194 HydrophobicContact CE1-CG1 4.42Å; F140-V194 HydrophobicContact CE1-CG2 3.88Å; F140-V194 HydrophobicContact CZ-CG2 3.73Å
141	D	91.2	Very high	91.5	Very high	99 Å²	99	56.6 Å²	56.6	53%	0.529	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31	174	-168.7	68.3	0	0	0	111.4	R137 C143 G144 I146	R137-D141 WeakPolarHBondContact O-CB 3.31Å; R137-D141 PolarHBondContact O-N 2.7Å; D141-C143 PolarHBondContact O-N 3.36Å; D141-G144 PolarHBondContact O-N 3.33Å; D141-I146 HydrophobicContact CB-CD1 4.44Å
142	Q	86.6	Confident	91.6	Very high	120 Å²	120	58.2 Å²	58.2	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.6	171.8	-56.7	-174	11.2	0	0	113.5	F140	F140-Q142 PolarHBondContact O-N 2.98Å
143	C	88.4	Confident	91.3	Very high	9 Å²	9	65 Å²	65	6%	0.061	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-30.9	177.2	-59.1	0	0	0	0	112	F140 D141 F161 K169 A170 L173	F140-C143 WeakPolarHBondContact O-CA 3.42Å; F140-C143 VanDerWaalsContact O-CB 3.22Å; F140-C143 WeakPolarHBondContact O-CB 3.42Å; F140-C143 PolarHBondContact O-N 2.82Å; D141-C143 PolarHBondContact O-N 3.36Å; C143-F161 HydrophobicContact CB-CE1 4.16Å; C143-F161 HydrophobicContact CB-CZ 4.15Å; C143-K169 HydrophobicContact CB-CB 3.94Å; C143-K169 WeakPolarHBondContact O-CD 3.4Å; C143-A170 HydrophobicContact CB-CB 4.27Å; C143-L173 VanDerWaalsContact SG-CD1 3.57Å
144	G	90.3	Very high	91.1	Very high	15 Å²	15	69.5 Å²	69.5	16%	0.155	33%	0.332	C	S	.	.	S	Bend	trans	162.5	173.8	-177.2	0	0	0	0	0	112.5	D141 I146 F161	D141-G144 PolarHBondContact O-N 3.33Å; G144-I146 PolarHBondContact O-N 2.98Å; G144-F161 WeakPolarHBondContact O-CE1 3.33Å
145	E	94.4	Very high	91	Very high	125 Å²	125	67.2 Å²	67.2	58%	0.584	32%	0.319	S	S	*	.			trans	-66.2	120.4	-179.1	177.7	-172.4	-150.9	0	0	111.4	F161 S162 M166	E145-F161 CarbonylContact O-C 3.58Å; E145-F161 VanDerWaalsContact O-CA 3.27Å; E145-F161 WeakPolarHBondContact O-CA 3.42Å; E145-F161 WeakPolarHBondContact O-CD1 3.48Å; E145-S162 PolarHBondContact O-N 2.86Å; E145-S162 WeakPolarHBondContact OE2-CB 3.34Å; E145-S162 PolarHBondContact OE2-OG 3.08Å; E145-M166 HydrophobicContact CB-CE 4.32Å; E145-M166 HydrophobicContact CB-SD 4.42Å; E145-M166 PolarHBondContact N-SD 3.39Å; E145-M166 VanDerWaalsContact N-SD 3.44Å
146	I	95.1	Very high	91.1	Very high	30 Å²	30	69 Å²	69	15%	0.154	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.5	-178.4	-60.2	173	0	0	0	110.4	R137 F140 D141 G144 I149 I159 F161	R137-I146 HydrophobicContact CG-CD1 4.39Å; F140-I146 HydrophobicContact CB-CD1 3.89Å; D141-I146 HydrophobicContact CB-CD1 4.44Å; G144-I146 PolarHBondContact O-N 2.98Å; I146-I149 HydrophobicContact CD1-CD1 4.29Å; I146-I149 HydrophobicContact CG2-CD1 4.21Å; I146-I149 HydrophobicContact CG2-CG1 3.64Å; I146-I159 HydrophobicContact CB-CG2 4.49Å; I146-I159 HydrophobicContact CD1-CG2 4.12Å; I146-I159 HydrophobicContact CG1-CG2 3.99Å; I146-I159 HydrophobicContact CG2-CG2 3.79Å; I146-F161 HydrophobicContact CG1-CD1 4.12Å; I146-F161 HydrophobicContact CG1-CE1 3.76Å; I146-F161 HydrophobicContact CG1-CZ 4.47Å
147	I	94.8	Very high	91.2	Very high	99 Å²	99	68.9 Å²	68.9	51%	0.508	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-44.6	171.4	-69.6	-175.9	0	0	0	111.2	R160	I147-R160 PolarHBondContact N-O 3.1Å
148	A	93.2	Very high	91.3	Very high	31 Å²	31	68 Å²	68	26%	0.256	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	142.6	-175.8	0	0	0	0	0	113.2	I159 R160	A148-I159 WeakPolarHBondContact O-CA 3.45Å; A148-R160 HydrophobicContact CB-CB 4.44Å; A148-R160 PolarHBondContact N-O 2.79Å; A148-R160 PolarHBondContact O-N 2.98Å
149	I	94.3	Very high	91.5	Very high	18 Å²	18	66.2 Å²	66.2	9%	0.092	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.1	169.2	-53.8	-179.8	0	0	0	108.3	E133 I136 R137 I146 C157 H158 I159	E133-I149 HydrophobicContact CG-CB 4.06Å; E133-I149 HydrophobicContact CG-CD1 4.16Å; E133-I149 HydrophobicContact CG-CG2 3.9Å; I136-I149 HydrophobicContact CG2-CD1 4.44Å; I136-I149 HydrophobicContact CG2-CG2 4.39Å; R137-I149 HydrophobicContact CB-CD1 3.71Å; R137-I149 HydrophobicContact CG-CD1 4.29Å; I146-I149 HydrophobicContact CD1-CD1 4.29Å; I146-I149 HydrophobicContact CG2-CD1 4.21Å; I146-I149 HydrophobicContact CG2-CG1 3.64Å; I149-C157 HydrophobicContact CG2-CB 4.32Å; I149-H158 CarbonylContact C-O 3.6Å; I149-H158 WeakPolarHBondContact CA-O 3.4Å; I149-I159 HydrophobicContact CG1-CG1 4.46Å; I149-I159 HydrophobicContact CG1-CG2 4.41Å; I149-I159 HydrophobicContact CG2-CG1 4.38Å
150	R	92.8	Very high	91.8	Very high	160 Å²	160	67.9 Å²	67.9	60%	0.604	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	89.1	175.3	-60.7	-174.4	-173.5	173.8	8.5	109.2	C157 H158 D201	R150-C157 VanDerWaalsContact O-CA 3.29Å; R150-C157 WeakPolarHBondContact O-CA 3.32Å; R150-H158 HydrophobicContact CB-CB 4.49Å; R150-H158 PolarHBondContact N-O 3.16Å; R150-H158 PolarHBondContact O-N 3.19Å; R150-D201 IonicContact NH2-OD2 3.96Å
151	K	90.6	Very high	91.9	Very high	85 Å²	85	67.7 Å²	67.7	37%	0.37	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.1	177.1	-171.6	-176.6	174.6	-172.1	0	111.4	A131 I136 C157	A131-K151 WeakPolarHBondContact O-CE 3.3Å; A131-K151 PolarHBondContact O-NZ 3.26Å; I136-K151 HydrophobicContact CD1-CD 4.25Å; K151-C157 HydrophobicContact CB-CB 4.27Å
152	S	89.7	Confident	92.1	Very high	34 Å²	34	63.8 Å²	63.8	24%	0.238	30%	0.302	C	S	.	.			trans	-100.4	156.3	175.1	178.8	0	0	0	0	112	K154 F156	S152-K154 PolarHBondContact O-N 2.86Å; S152-K154 PolarHBondContact OG-N 3.34Å; S152-F156 VanDerWaalsContact CB-O 3.31Å; S152-F156 WeakPolarHBondContact CB-O 3.49Å; S152-F156 PolarHBondContact N-O 3.05Å; S152-F156 WeakPolarHBondContact OG-CE1 3.36Å; S152-F156 WeakPolarHBondContact OG-CZ 3.49Å
153	K	85.6	Confident	92.3	Very high	212 Å²	212	62.1 Å²	62.1	92%	0.922	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.8	172.5	-62.7	-175.8	179.3	-178.1	0	113.8
154	K	85.8	Confident	92.4	Very high	171 Å²	171	64.5 Å²	64.5	74%	0.743	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	36.5	-179.2	-62.4	-175	177.2	-176.8	0	113	S152 F156	S152-K154 PolarHBondContact O-N 2.86Å; S152-K154 PolarHBondContact OG-N 3.34Å; K154-F156 HydrophobicContact CB-CD1 3.83Å; K154-F156 HydrophobicContact CB-CE1 3.8Å; K154-F156 HydrophobicContact CD-CE1 4.49Å; K154-F156 PolarHBondContact O-N 2.89Å; K154-F156 VanDerWaalsContact O-N 3.15Å
155	N	88.1	Confident	92.3	Very high	57 Å²	57	69.7 Å²	69.7	31%	0.305	32%	0.323	S	S	.	.	S	Bend	trans	52.3	38.1	176	-62.9	-9.7	0	0	0	114.9	G126 L127	G126-N155 PolarHBondContact N-O 2.83Å; L127-N155 PolarHBondContact N-O 3.3Å; L127-N155 WeakPolarHBondContact O-CB 3.26Å
156	F	92.9	Very high	92.2	Very high	53 Å²	53	64.8 Å²	64.8	23%	0.232	30%	0.301	C	S	.	.			trans	-134.2	158.9	169.1	72	-103.1	0	0	0	110.4	F123 V124 S152 K154 H158	F123-F156 HydrophobicContact CD2-CD2 4.19Å; F123-F156 HydrophobicContact CE2-CB 3.7Å; F123-F156 HydrophobicContact CE2-CD1 4.38Å; F123-F156 AromaticContact CE2-CD2 3.63Å; F123-F156 HydrophobicContact CE2-CD2 3.63Å; F123-F156 HydrophobicContact CE2-CE2 4.31Å; F123-F156 AromaticContact CE2-CG 3.68Å; F123-F156 HydrophobicContact CE2-CG 3.68Å; F123-F156 HydrophobicContact CZ-CB 3.88Å; F123-F156 HydrophobicContact CZ-CG 4.24Å; V124-F156 CarbonylContact O-C 3.44Å; V124-F156 WeakPolarHBondContact O-CA 3.47Å; V124-F156 WeakPolarHBondContact O-CB 3.48Å; S152-F156 VanDerWaalsContact CB-O 3.31Å; S152-F156 WeakPolarHBondContact CB-O 3.49Å; S152-F156 PolarHBondContact N-O 3.05Å; S152-F156 WeakPolarHBondContact OG-CE1 3.36Å; S152-F156 WeakPolarHBondContact OG-CZ 3.49Å; K154-F156 HydrophobicContact CB-CD1 3.83Å; K154-F156 HydrophobicContact CB-CE1 3.8Å; K154-F156 HydrophobicContact CD-CE1 4.49Å; K154-F156 PolarHBondContact O-N 2.89Å; K154-F156 VanDerWaalsContact O-N 3.15Å; F156-H158 AromaticContact CE2-CE1 3.71Å
157	C	94.1	Very high	92	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	165.3	167.3	69.4	0	0	0	0	111.5	V124 L127 I149 R150 K151	V124-C157 PolarHBondContact N-O 2.77Å; V124-C157 PolarHBondContact O-N 2.94Å; L127-C157 HydrophobicContact CD1-CB 4.29Å; I149-C157 HydrophobicContact CG2-CB 4.32Å; R150-C157 VanDerWaalsContact O-CA 3.29Å; R150-C157 WeakPolarHBondContact O-CA 3.32Å; K151-C157 HydrophobicContact CB-CB 4.27Å
158	H	95.1	Very high	91.7	Very high	65 Å²	65	62.4 Å²	62.4	30%	0.301	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.3	162	-63.4	91.8	0	0	0	108.7	T121 V122 F123 I149 R150 F156	T121-H158 HydrophobicContact CG2-CB 4Å; V122-H158 CarbonylContact O-C 3.59Å; V122-H158 VanDerWaalsContact O-CA 3.26Å; V122-H158 WeakPolarHBondContact O-CA 3.49Å; F123-H158 AromaticContact CD2-NE2 3.69Å; I149-H158 CarbonylContact C-O 3.6Å; I149-H158 WeakPolarHBondContact CA-O 3.4Å; R150-H158 HydrophobicContact CB-CB 4.49Å; R150-H158 PolarHBondContact N-O 3.16Å; R150-H158 PolarHBondContact O-N 3.19Å; F156-H158 AromaticContact CE2-CE1 3.71Å
159	I	95.7	Very high	91.6	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.8	178.6	-54.3	177.3	0	0	0	107.5	T121 V122 V124 I136 F140 I146 A148 I149 F161	T121-I159 CarbonylContact C-O 3.55Å; T121-I159 VanDerWaalsContact CA-O 3.3Å; T121-I159 WeakPolarHBondContact CA-O 3.45Å; V122-I159 HydrophobicContact CG2-CB 3.82Å; V122-I159 HydrophobicContact CG2-CG1 4.48Å; V122-I159 PolarHBondContact N-O 3.14Å; V122-I159 PolarHBondContact O-N 2.96Å; V124-I159 HydrophobicContact CG2-CD1 3.88Å; V124-I159 HydrophobicContact CG2-CG1 4.31Å; I136-I159 HydrophobicContact CG2-CD1 3.68Å; I136-I159 HydrophobicContact CG2-CG1 4.43Å; F140-I159 HydrophobicContact CB-CD1 3.77Å; F140-I159 HydrophobicContact CD1-CD1 4Å; F140-I159 HydrophobicContact CD2-CD1 3.34Å; F140-I159 HydrophobicContact CE1-CD1 4.47Å; F140-I159 HydrophobicContact CE2-CD1 3.9Å; F140-I159 HydrophobicContact CG-CD1 3.41Å; F140-I159 VanDerWaalsContact CG-CD1 3.41Å; F140-I159 HydrophobicContact CZ-CD1 4.43Å; I146-I159 HydrophobicContact CB-CG2 4.49Å; I146-I159 HydrophobicContact CD1-CG2 4.12Å; I146-I159 HydrophobicContact CG1-CG2 3.99Å; I146-I159 HydrophobicContact CG2-CG2 3.79Å; A148-I159 WeakPolarHBondContact O-CA 3.45Å; I149-I159 HydrophobicContact CG1-CG1 4.46Å; I149-I159 HydrophobicContact CG1-CG2 4.41Å; I149-I159 HydrophobicContact CG2-CG1 4.38Å; I159-F161 HydrophobicContact CB-CE2 4.36Å; I159-F161 HydrophobicContact CG2-CD2 4.33Å; I159-F161 HydrophobicContact CG2-CE1 4.43Å; I159-F161 HydrophobicContact CG2-CE2 3.84Å; I159-F161 HydrophobicContact CG2-CZ 3.9Å
160	R	95.5	Very high	91.4	Very high	39 Å²	39	65.6 Å²	65.6	15%	0.147	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.5	176	-171.2	174.5	-167.3	-140.4	-14.6	109.3	K120 T121 I147 A148 D202 E205	K120-R160 CarbonylContact O-C 3.51Å; K120-R160 WeakPolarHBondContact O-CA 3.44Å; T121-R160 HydrophobicContact CG2-CB 4.48Å; I147-R160 PolarHBondContact N-O 3.1Å; A148-R160 HydrophobicContact CB-CB 4.44Å; A148-R160 PolarHBondContact N-O 2.79Å; A148-R160 PolarHBondContact O-N 2.98Å; R160-D202 IonicContact CZ-OD1 2.67Å; R160-D202 VanDerWaalsContact CZ-OD1 3.3Å; R160-D202 IonicContact NE-OD1 3.91Å; R160-D202 PolarHBondContact NE-OD1 3.02Å; R160-D202 IonicContact NH2-OD1 3.62Å; R160-D202 PolarHBondContact NH2-OD1 2.73Å; R160-D202 VanDerWaalsContact NH2-OD1 3.1Å; R160-E205 IonicContact CZ-OE1 3.77Å; R160-E205 IonicContact NH1-OE1 3.44Å; R160-E205 PolarHBondContact NH1-OE1 3.14Å; R160-E205 IonicContact NH2-OE1 3.69Å; R160-E205 PolarHBondContact NH2-OE1 2.73Å; R160-E205 IonicContact NH2-OE2 2.67Å; R160-E205 PolarHBondContact NH2-OE2 2.98Å
161	F	95.9	Very high	91.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	166.2	177.1	-67.7	-86.1	0	0	0	111.3	K120 V122 F140 C143 G144 E145 I146 I159 M166 I167 A170	K120-F161 PolarHBondContact O-N 2.96Å; V122-F161 HydrophobicContact CG2-CE2 3.89Å; F140-F161 HydrophobicContact CB-CZ 4.25Å; F140-F161 HydrophobicContact CD1-CZ 4.35Å; C143-F161 HydrophobicContact CB-CE1 4.16Å; C143-F161 HydrophobicContact CB-CZ 4.15Å; G144-F161 WeakPolarHBondContact O-CE1 3.33Å; E145-F161 CarbonylContact O-C 3.58Å; E145-F161 VanDerWaalsContact O-CA 3.27Å; E145-F161 WeakPolarHBondContact O-CA 3.42Å; E145-F161 WeakPolarHBondContact O-CD1 3.48Å; I146-F161 HydrophobicContact CG1-CD1 4.12Å; I146-F161 HydrophobicContact CG1-CE1 3.76Å; I146-F161 HydrophobicContact CG1-CZ 4.47Å; I159-F161 HydrophobicContact CB-CE2 4.36Å; I159-F161 HydrophobicContact CG2-CD2 4.33Å; I159-F161 HydrophobicContact CG2-CE1 4.43Å; I159-F161 HydrophobicContact CG2-CE2 3.84Å; I159-F161 HydrophobicContact CG2-CZ 3.9Å; F161-M166 HydrophobicContact CB-CB 3.98Å; F161-M166 HydrophobicContact CB-SD 4.1Å; F161-M166 HydrophobicContact CD1-CB 4.08Å; F161-M166 HydrophobicContact CD1-SD 4.34Å; F161-M166 HydrophobicContact CG-CB 4.04Å; F161-I167 HydrophobicContact CB-CD1 4.45Å; F161-I167 HydrophobicContact CD2-CD1 3.57Å; F161-I167 HydrophobicContact CE2-CD1 4.29Å; F161-I167 HydrophobicContact CG-CD1 4.4Å; F161-A170 HydrophobicContact CE2-CB 3.83Å; F161-A170 HydrophobicContact CZ-CB 3.95Å
162	S	94.4	Very high	91.2	Very high	16 Å²	16	60.3 Å²	60.3	11%	0.112	28%	0.277	C	S	.	.	S	Bend	trans	-72	-36.6	176	57.6	0	0	0	0	113.5	K120 E145 M166	K120-S162 WeakPolarHBondContact CD-O 3.48Å; K120-S162 WeakPolarHBondContact CE-O 3.36Å; K120-S162 PolarHBondContact NZ-O 2.83Å; E145-S162 PolarHBondContact O-N 2.86Å; E145-S162 WeakPolarHBondContact OE2-CB 3.34Å; E145-S162 PolarHBondContact OE2-OG 3.08Å; S162-M166 WeakPolarHBondContact OG-CE 3.43Å
163	E	91.9	Very high	91.2	Very high	85 Å²	85	59.2 Å²	59.2	40%	0.397	27%	0.268	S	S	.	.	S	Bend	trans	-126.8	151.1	-176.5	-67.7	-57.7	159.2	0	0	115.6	K120 F165 M166	K120-E163 IonicContact NZ-OE2 2.72Å; E163-F165 VanDerWaalsContact C-N 3.3Å; E163-F165 HydrophobicContact CB-CD1 3.7Å; E163-F165 HydrophobicContact CB-CE1 3.45Å; E163-F165 VanDerWaalsContact CB-CE1 3.45Å; E163-F165 HydrophobicContact CB-CZ 4.27Å; E163-F165 HydrophobicContact CG-CE1 3.94Å; E163-F165 PolarHBondContact O-N 3.08Å; E163-M166 HydrophobicContact CB-CE 4.1Å; E163-M166 HydrophobicContact CB-CG 4.29Å; E163-M166 HydrophobicContact CB-SD 4.32Å; E163-M166 HydrophobicContact CG-CE 4.37Å; E163-M166 WeakPolarHBondContact O-CB 3.43Å; E163-M166 PolarHBondContact O-N 3.31Å
164	E	89.8	Confident	91.3	Very high	59 Å²	59	49.3 Å²	49.3	28%	0.276	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-33.8	-173.8	-66.3	177.4	-134	0	0	112.7	R115 K120 M166 I167	R115-E164 PolarHBondContact NH2-O 3.35Å; K120-E164 HydrophobicContact CD-CG 4.46Å; K120-E164 HydrophobicContact CG-CG 3.79Å; E164-M166 VanDerWaalsContact C-N 3.33Å; E164-M166 PolarHBondContact O-N 2.8Å; E164-I167 WeakPolarHBondContact O-CB 3.45Å; E164-I167 VanDerWaalsContact O-CG1 3.27Å; E164-I167 WeakPolarHBondContact O-CG1 3.38Å; E164-I167 PolarHBondContact O-N 3.36Å
165	F	89.1	Confident	91.4	Very high	125 Å²	125	41.3 Å²	41.3	55%	0.548	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.7	-177.7	73.2	-94.6	0	0	0	113.9	E163 I167	E163-F165 VanDerWaalsContact C-N 3.3Å; E163-F165 HydrophobicContact CB-CD1 3.7Å; E163-F165 HydrophobicContact CB-CE1 3.45Å; E163-F165 VanDerWaalsContact CB-CE1 3.45Å; E163-F165 HydrophobicContact CB-CZ 4.27Å; E163-F165 HydrophobicContact CG-CE1 3.94Å; E163-F165 PolarHBondContact O-N 3.08Å; F165-I167 PolarHBondContact O-N 3.28Å
166	M	91.9	Very high	91.4	Very high	22 Å²	22	38.8 Å²	38.8	11%	0.108	18%	0.178	C	C	.	.	H	α-helix	trans	-69.8	-23.7	177.6	-61.7	179	178	0	0	111.4	E145 F161 S162 E163 E164 D168 K169 A170	E145-M166 HydrophobicContact CB-CE 4.32Å; E145-M166 HydrophobicContact CB-SD 4.42Å; E145-M166 PolarHBondContact N-SD 3.39Å; E145-M166 VanDerWaalsContact N-SD 3.44Å; F161-M166 HydrophobicContact CB-CB 3.98Å; F161-M166 HydrophobicContact CB-SD 4.1Å; F161-M166 HydrophobicContact CD1-CB 4.08Å; F161-M166 HydrophobicContact CD1-SD 4.34Å; F161-M166 HydrophobicContact CG-CB 4.04Å; S162-M166 WeakPolarHBondContact OG-CE 3.43Å; E163-M166 HydrophobicContact CB-CE 4.1Å; E163-M166 HydrophobicContact CB-CG 4.29Å; E163-M166 HydrophobicContact CB-SD 4.32Å; E163-M166 HydrophobicContact CG-CE 4.37Å; E163-M166 WeakPolarHBondContact O-CB 3.43Å; E163-M166 PolarHBondContact O-N 3.31Å; E164-M166 VanDerWaalsContact C-N 3.33Å; E164-M166 PolarHBondContact O-N 2.8Å; M166-D168 VanDerWaalsContact C-N 3.32Å; M166-D168 PolarHBondContact O-N 2.91Å; M166-K169 PolarHBondContact O-N 3.17Å; M166-A170 PolarHBondContact O-N 2.94Å
167	I	90.9	Very high	91.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-38.4	178.6	-56.5	-61.4	0	0	0	111.9	C119 K120 V122 F161 E164 F165 K169 A170 I171 F196	C119-I167 WeakPolarHBondContact O-CG1 3.1Å; K120-I167 WeakPolarHBondContact O-CD1 3.46Å; V122-I167 HydrophobicContact CG1-CD1 3.87Å; V122-I167 HydrophobicContact CG1-CG2 3.75Å; F161-I167 HydrophobicContact CB-CD1 4.45Å; F161-I167 HydrophobicContact CD2-CD1 3.57Å; F161-I167 HydrophobicContact CE2-CD1 4.29Å; F161-I167 HydrophobicContact CG-CD1 4.4Å; E164-I167 WeakPolarHBondContact O-CB 3.45Å; E164-I167 VanDerWaalsContact O-CG1 3.27Å; E164-I167 WeakPolarHBondContact O-CG1 3.38Å; E164-I167 PolarHBondContact O-N 3.36Å; F165-I167 PolarHBondContact O-N 3.28Å; I167-K169 VanDerWaalsContact C-N 3.27Å; I167-K169 PolarHBondContact O-N 2.93Å; I167-A170 PolarHBondContact O-N 3.47Å; I167-I171 HydrophobicContact CG2-CG1 4.03Å; I167-I171 VanDerWaalsContact O-CG1 3.29Å; I167-I171 WeakPolarHBondContact O-CG1 3.43Å; I167-I171 PolarHBondContact O-N 3.44Å; I167-F196 HydrophobicContact CG2-CD1 3.66Å; I167-F196 HydrophobicContact CG2-CE1 3.54Å
168	D	89.2	Confident	91	Very high	78 Å²	78	41.5 Å²	41.5	42%	0.417	19%	0.187	S	C	.	.	H	α-helix	trans	-62.2	-37.5	-178.1	-58.5	-74.7	0	0	0	111.7	R115 M166 Y172	R115-D168 IonicContact CZ-OD1 3.1Å; R115-D168 IonicContact CZ-OD2 3.3Å; R115-D168 IonicContact NH1-OD1 2.98Å; R115-D168 PolarHBondContact NH1-OD1 2.93Å; R115-D168 IonicContact NH1-OD2 2.73Å; R115-D168 PolarHBondContact NH1-OD2 2.85Å; R115-D168 IonicContact NH2-OD1 3.55Å; R115-D168 PolarHBondContact NH2-OD1 3Å; R115-D168 IonicContact NH2-OD2 2.79Å; R115-D168 PolarHBondContact NH2-OD2 3.35Å; M166-D168 VanDerWaalsContact C-N 3.32Å; M166-D168 PolarHBondContact O-N 2.91Å; D168-Y172 PolarHBondContact O-N 3.32Å; D168-Y172 VanDerWaalsContact O-N 3.14Å
169	K	89.8	Confident	90.7	Very high	117 Å²	117	42.2 Å²	42.2	51%	0.509	19%	0.187	S	C	.	.	H	α-helix	trans	-66.8	-40.9	173	-67	174.6	172.4	-175.3	0	112.1	C143 M166 I167 Y172	C143-K169 HydrophobicContact CB-CB 3.94Å; C143-K169 WeakPolarHBondContact O-CD 3.4Å; M166-K169 PolarHBondContact O-N 3.17Å; I167-K169 VanDerWaalsContact C-N 3.27Å; I167-K169 PolarHBondContact O-N 2.93Å; K169-Y172 WeakPolarHBondContact O-CB 3.43Å; K169-Y172 PolarHBondContact O-N 3.26Å
170	A	91.2	Very high	90.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-41.2	177.1	0	0	0	0	0	111.9	V122 F140 C143 F161 M166 I167 Y172 L173 V194	V122-A170 HydrophobicContact CG1-CB 3.97Å; V122-A170 HydrophobicContact CG2-CB 4.35Å; F140-A170 HydrophobicContact CD1-CB 4.07Å; F140-A170 HydrophobicContact CE1-CB 4.16Å; C143-A170 HydrophobicContact CB-CB 4.27Å; F161-A170 HydrophobicContact CE2-CB 3.83Å; F161-A170 HydrophobicContact CZ-CB 3.95Å; M166-A170 PolarHBondContact O-N 2.94Å; I167-A170 PolarHBondContact O-N 3.47Å; A170-Y172 VanDerWaalsContact C-N 3.25Å; A170-Y172 PolarHBondContact O-N 2.87Å; A170-L173 WeakPolarHBondContact O-CB 3.35Å; A170-L173 PolarHBondContact O-N 3.49Å; A170-L173 VanDerWaalsContact O-N 3.08Å; A170-V194 HydrophobicContact CB-CG1 4.38Å; A170-V194 WeakPolarHBondContact O-CB 3.38Å; A170-V194 WeakPolarHBondContact O-CG1 3.39Å; A170-V194 WeakPolarHBondContact O-CG2 3.3Å
171	I	90.9	Very high	89.7	Confident	29 Å²	29	43.6 Å²	43.6	15%	0.149	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-34.3	175	-66.6	-73.7	0	0	0	111.1	T112 V122 I167 L173 S174 V194 F196	T112-I171 HydrophobicContact CG2-CG2 4.07Å; V122-I171 HydrophobicContact CG1-CD1 4.47Å; I167-I171 HydrophobicContact CG2-CG1 4.03Å; I167-I171 VanDerWaalsContact O-CG1 3.29Å; I167-I171 WeakPolarHBondContact O-CG1 3.43Å; I167-I171 PolarHBondContact O-N 3.44Å; I171-L173 PolarHBondContact O-N 2.93Å; I171-S174 WeakPolarHBondContact O-CB 3.35Å; I171-S174 PolarHBondContact O-N 3.24Å; I171-V194 HydrophobicContact CD1-CG1 4.23Å; I171-F196 HydrophobicContact CD1-CD1 4.21Å; I171-F196 HydrophobicContact CD1-CD2 4.3Å; I171-F196 HydrophobicContact CD1-CE1 4.2Å; I171-F196 HydrophobicContact CD1-CE2 4.29Å; I171-F196 HydrophobicContact CD1-CG 4.26Å; I171-F196 HydrophobicContact CD1-CZ 4.24Å; I171-F196 HydrophobicContact CG1-CD1 4.41Å; I171-F196 HydrophobicContact CG1-CE1 3.98Å; I171-F196 HydrophobicContact CG1-CZ 4.07Å
172	Y	88.3	Confident	88.8	Confident	105 Å²	105	49.4 Å²	49.4	41%	0.412	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-27.9	174.6	-171.7	-99.7	0	0	0	113.6	V88 K90 D168 K169 A170 S174	V88-Y172 HydrophobicContact CG1-CE2 3.8Å; V88-Y172 VanDerWaalsContact CG1-OH 3.3Å; V88-Y172 WeakPolarHBondContact CG1-OH 3.48Å; K90-Y172 HydrophobicContact CG-CE1 4.27Å; K90-Y172 PolarHBondContact NZ-O 2.94Å; D168-Y172 PolarHBondContact O-N 3.32Å; D168-Y172 VanDerWaalsContact O-N 3.14Å; K169-Y172 WeakPolarHBondContact O-CB 3.43Å; K169-Y172 PolarHBondContact O-N 3.26Å; A170-Y172 VanDerWaalsContact C-N 3.25Å; A170-Y172 PolarHBondContact O-N 2.87Å; Y172-S174 PolarHBondContact O-N 3.01Å
173	L	88.6	Confident	87.7	Confident	11 Å²	11	50.4 Å²	50.4	6%	0.058	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-4.9	174.2	-59.1	-174.8	0	0	0	113.8	I93 V139 F140 C143 A170 I171 G175 Y176 I192 V194	I93-L173 HydrophobicContact CD1-CD2 3.49Å; I93-L173 VanDerWaalsContact CD1-CD2 3.49Å; V139-L173 HydrophobicContact CG1-CD1 3.85Å; F140-L173 HydrophobicContact CD1-CD1 4.16Å; F140-L173 HydrophobicContact CE1-CB 4.48Å; F140-L173 HydrophobicContact CE1-CD1 3.94Å; F140-L173 HydrophobicContact CZ-CD1 4.38Å; C143-L173 VanDerWaalsContact SG-CD1 3.57Å; A170-L173 WeakPolarHBondContact O-CB 3.35Å; A170-L173 PolarHBondContact O-N 3.49Å; A170-L173 VanDerWaalsContact O-N 3.08Å; I171-L173 PolarHBondContact O-N 2.93Å; L173-G175 PolarHBondContact O-N 2.96Å; L173-Y176 HydrophobicContact CD2-CD2 4.37Å; L173-Y176 HydrophobicContact CD2-CE2 4.09Å; L173-Y176 WeakPolarHBondContact O-CD2 3.28Å; L173-Y176 PolarHBondContact O-N 2.74Å; L173-I192 HydrophobicContact CB-CD1 4.24Å; L173-I192 WeakPolarHBondContact O-CD1 3.45Å; L173-V194 HydrophobicContact CB-CG2 4.31Å
174	S	88.9	Confident	86.8	Confident	4 Å²	4	51.4 Å²	51.4	3%	0.028	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	133.5	173.9	-153.4	0	0	0	0	111.4	K90 I171 Y172 H193 V194	K90-S174 PolarHBondContact NZ-O 2.98Å; I171-S174 WeakPolarHBondContact O-CB 3.35Å; I171-S174 PolarHBondContact O-N 3.24Å; Y172-S174 PolarHBondContact O-N 3.01Å; S174-H193 PolarHBondContact OG-ND1 2.87Å; S174-V194 VanDerWaalsContact CB-O 3.29Å; S174-V194 WeakPolarHBondContact CB-O 3.37Å; S174-V194 PolarHBondContact OG-N 3.34Å; S174-V194 PolarHBondContact OG-O 3.31Å
175	G	86.6	Confident	86.3	Confident	3 Å²	3	53.8 Å²	53.8	3%	0.031	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-13.6	179.4	0	0	0	0	0	114.9	Q103 L173 R191 I192	Q103-G175 PolarHBondContact OE1-O 3.06Å; L173-G175 PolarHBondContact O-N 2.96Å; G175-R191 PolarHBondContact O-NH1 3.2Å; G175-I192 WeakPolarHBondContact CA-O 3.49Å; G175-I192 PolarHBondContact N-O 3.47Å
176	Y	89.2	Confident	85.8	Confident	3 Å²	3	57.4 Å²	57.4	1%	0.012	30%	0.297	C	S	.	.			trans	-62.7	149.2	177.2	-85.8	-97.8	0	0	0	112.5	K90 E91 I93 L100 F101 P102 L173 R191 I192	K90-Y176 HydrophobicContact CB-CE2 4.29Å; K90-Y176 HydrophobicContact CD-CD2 4.34Å; K90-Y176 HydrophobicContact CD-CE2 3.72Å; K90-Y176 HydrophobicContact CG-CE2 4.29Å; E91-Y176 VanDerWaalsContact O-CE1 3.25Å; E91-Y176 WeakPolarHBondContact O-CE1 3.23Å; E91-Y176 PolarHBondContact O-OH 3.04Å; I93-Y176 HydrophobicContact CD1-CE1 3.93Å; I93-Y176 HydrophobicContact CD1-CE2 4.43Å; I93-Y176 HydrophobicContact CG1-CE1 4.15Å; L100-Y176 HydrophobicContact CB-CD1 3.57Å; L100-Y176 HydrophobicContact CB-CE1 4.23Å; L100-Y176 HydrophobicContact CB-CG 4.21Å; F101-Y176 CarbonylContact O-C 3.54Å; F101-Y176 WeakPolarHBondContact O-CA 3.4Å; F101-Y176 WeakPolarHBondContact O-CD1 3.42Å; P102-Y176 HydrophobicContact CB-CE1 4.27Å; L173-Y176 HydrophobicContact CD2-CD2 4.37Å; L173-Y176 HydrophobicContact CD2-CE2 4.09Å; L173-Y176 WeakPolarHBondContact O-CD2 3.28Å; L173-Y176 PolarHBondContact O-N 2.74Å; Y176-R191 CarbonylContact O-C 3.52Å; Y176-R191 WeakPolarHBondContact O-CA 3.48Å; Y176-R191 WeakPolarHBondContact O-CG 3.34Å; Y176-I192 WeakPolarHBondContact O-CG1 3.27Å; Y176-I192 PolarHBondContact O-N 2.92Å
177	R	87.8	Confident	85.4	Confident	108 Å²	108	61.9 Å²	61.9	41%	0.408	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	111.1	170.7	-172.5	-177.1	-177	91.8	14.8	110	L100 F101 S189 G190	L100-R177 WeakPolarHBondContact CA-O 3.42Å; F101-R177 HydrophobicContact CB-CB 4.4Å; F101-R177 PolarHBondContact N-O 2.92Å; F101-R177 PolarHBondContact O-N 2.72Å; R177-S189 PolarHBondContact NE-OG 3.29Å; R177-S189 PolarHBondContact NH2-OG 3.26Å; R177-G190 CarbonylContact C-O 3.54Å; R177-G190 WeakPolarHBondContact CA-O 3.48Å; R177-G190 WeakPolarHBondContact CG-O 3.29Å
178	M	89.5	Confident	85.1	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.015	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	139.2	176.1	-175.1	170.4	153.3	0	0	110.7	L100 L127 P128 A131 I135 I180 S189 G190 I192	L100-M178 HydrophobicContact CD2-CB 3.68Å; L100-M178 HydrophobicContact CD2-CG 3.72Å; L100-M178 HydrophobicContact CD2-SD 4.36Å; L127-M178 HydrophobicContact CD2-SD 4.13Å; P128-M178 HydrophobicContact CG-CB 4.4Å; P128-M178 HydrophobicContact CG-CE 4.09Å; P128-M178 HydrophobicContact CG-CG 4.14Å; P128-M178 HydrophobicContact CG-SD 4.3Å; A131-M178 HydrophobicContact CB-CE 3.71Å; I135-M178 HydrophobicContact CG2-CE 3.56Å; M178-I180 HydrophobicContact CE-CD1 4.37Å; M178-I180 HydrophobicContact CE-CG1 4.2Å; M178-S189 VanDerWaalsContact O-CA 3.23Å; M178-S189 WeakPolarHBondContact O-CA 3.09Å; M178-S189 PolarHBondContact O-OG 2.9Å; M178-G190 PolarHBondContact N-O 3.26Å; M178-G190 PolarHBondContact O-N 3.32Å; M178-G190 VanDerWaalsContact O-N 3.11Å; M178-I192 HydrophobicContact CB-CG2 4.03Å; M178-I192 HydrophobicContact SD-CG2 3.93Å
179	R	88.8	Confident	85	Confident	80 Å²	80	59.9 Å²	59.9	30%	0.302	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.9	172	-177.9	-173.9	-69.8	169	-1.4	109.2	C98 T99 F101 S183 D188	C98-R179 CarbonylContact C-O 3.52Å; C98-R179 WeakPolarHBondContact CA-O 3.1Å; C98-R179 WeakPolarHBondContact CB-O 3.48Å; T99-R179 PolarHBondContact N-O 2.99Å; T99-R179 PolarHBondContact O-N 3.09Å; F101-R179 HydrophobicContact CE2-CB 4.2Å; R179-S183 VanDerWaalsContact CD-O 3.23Å; R179-S183 WeakPolarHBondContact CD-O 3.34Å; R179-S183 WeakPolarHBondContact CG-O 3.46Å; R179-D188 WeakPolarHBondContact CA-O 3.37Å
180	I	88.3	Confident	84.9	Confident	24 Å²	24	55 Å²	55	12%	0.123	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.8	179.3	-58.9	172	0	0	0	109.4	P128 N130 A131 I135 M178 S183 D188	P128-I180 HydrophobicContact CB-CD1 3.76Å; P128-I180 HydrophobicContact CB-CG1 4.47Å; P128-I180 HydrophobicContact CG-CD1 4.01Å; P128-I180 HydrophobicContact CG-CG1 4.27Å; N130-I180 HydrophobicContact CB-CD1 4.31Å; A131-I180 HydrophobicContact CB-CD1 3.98Å; I135-I180 HydrophobicContact CD1-CD1 4.21Å; I135-I180 HydrophobicContact CD1-CG1 4.41Å; I135-I180 HydrophobicContact CD1-CG2 3.93Å; M178-I180 HydrophobicContact CE-CD1 4.37Å; M178-I180 HydrophobicContact CE-CG1 4.2Å; I180-S183 PolarHBondContact O-N 3.06Å; I180-D188 HydrophobicContact CB-CB 4.31Å; I180-D188 PolarHBondContact N-O 2.68Å
181	G	83.2	Confident	84.8	Confident	43 Å²	43	60.3 Å²	60.3	44%	0.443	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	-143.1	-173.1	0	0	0	0	0	113.5	S97	S97-G181 PolarHBondContact O-N 3.07Å
182	S	76.1	Confident	84.9	Confident	123 Å²	123	58.9 Å²	58.9	86%	0.86	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.1	177.7	-54.3	0	0	0	0	114.1
183	S	72.4	Confident	85	Confident	36 Å²	36	56.5 Å²	56.5	25%	0.252	29%	0.293	S	S	.	.			trans	-70	140.3	-177.3	-178.6	0	0	0	0	111.4	R179 I180 D185 D188	R179-S183 VanDerWaalsContact CD-O 3.23Å; R179-S183 WeakPolarHBondContact CD-O 3.34Å; R179-S183 WeakPolarHBondContact CG-O 3.46Å; I180-S183 PolarHBondContact O-N 3.06Å; S183-D185 PolarHBondContact OG-N 3.01Å; S183-D188 WeakPolarHBondContact CB-OD2 3.48Å; S183-D188 PolarHBondContact OG-OD2 3.31Å
184	T	71.4	Confident	85.2	Confident	106 Å²	106	56 Å²	56	65%	0.65	29%	0.291	S	S	*	.			trans	-107.8	4.8	173.6	55.4	0	0	0	0	112.7
185	D	80.4	Confident	85.5	Confident	110 Å²	110	56.1 Å²	56.1	59%	0.588	29%	0.291	S	S	*	.	S	Bend	trans	-64.9	152.2	-178.7	-89	-37.6	0	0	0	113	S183 K187 D188 S189	S183-D185 PolarHBondContact OG-N 3.01Å; D185-K187 PolarHBondContact O-N 3.31Å; D185-D188 PolarHBondContact O-N 3.22Å; D185-S189 PolarHBondContact O-N 3.17Å; D185-S189 VanDerWaalsContact O-N 3.14Å
186	K	77.8	Confident	85.8	Confident	201 Å²	201	57 Å²	57	87%	0.874	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.5	-179.9	-64.9	-179.6	-179.4	176.2	0	113.6
187	K	83.5	Confident	86	Confident	116 Å²	116	57.2 Å²	57.2	50%	0.504	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-25.3	177.3	-62	-167.2	171.2	-161.1	0	113.6	P128 E129 N130 D185	P128-K187 VanDerWaalsContact CB-O 3.31Å; P128-K187 WeakPolarHBondContact CB-O 3.36Å; E129-K187 PolarHBondContact N-O 2.78Å; E129-K187 VanDerWaalsContact N-O 3.1Å; E129-K187 WeakPolarHBondContact OE2-CD 3.34Å; E129-K187 WeakPolarHBondContact OE2-CE 3.46Å; E129-K187 WeakPolarHBondContact OE2-CG 3.23Å; E129-K187 IonicContact OE2-NZ 3.22Å; N130-K187 PolarHBondContact N-O 2.95Å; D185-K187 PolarHBondContact O-N 3.31Å
188	D	85.7	Confident	86.2	Confident	26 Å²	26	60 Å²	60	14%	0.139	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-4	-177.2	-60.5	-44.2	0	0	0	112.9	N130 R179 I180 S183 D185	N130-D188 WeakPolarHBondContact CB-OD1 3.37Å; N130-D188 PolarHBondContact ND2-OD1 3.42Å; R179-D188 WeakPolarHBondContact CA-O 3.37Å; I180-D188 HydrophobicContact CB-CB 4.31Å; I180-D188 PolarHBondContact N-O 2.68Å; S183-D188 WeakPolarHBondContact CB-OD2 3.48Å; S183-D188 PolarHBondContact OG-OD2 3.31Å; D185-D188 PolarHBondContact O-N 3.22Å
189	S	86.6	Confident	86.4	Confident	10 Å²	10	61 Å²	61	7%	0.07	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.2	179.9	-170.2	0	0	0	0	114	R177 M178 D185	R177-S189 PolarHBondContact NE-OG 3.29Å; R177-S189 PolarHBondContact NH2-OG 3.26Å; M178-S189 VanDerWaalsContact O-CA 3.23Å; M178-S189 WeakPolarHBondContact O-CA 3.09Å; M178-S189 PolarHBondContact O-OG 2.9Å; D185-S189 PolarHBondContact O-N 3.17Å; D185-S189 VanDerWaalsContact O-N 3.14Å
190	G	87.8	Confident	86.5	Confident	13 Å²	13	67.6 Å²	67.6	13%	0.134	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	162.8	-178	0	0	0	0	0	111.7	G126 R177 M178	G126-G190 CarbonylContact O-C 3.58Å; R177-G190 CarbonylContact C-O 3.54Å; R177-G190 WeakPolarHBondContact CA-O 3.48Å; R177-G190 WeakPolarHBondContact CG-O 3.29Å; M178-G190 PolarHBondContact N-O 3.26Å; M178-G190 PolarHBondContact O-N 3.32Å; M178-G190 VanDerWaalsContact O-N 3.11Å
191	R	89.4	Confident	86.7	Confident	112 Å²	112	69.7 Å²	69.7	42%	0.423	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.8	171.6	-175.2	-170.6	-69.8	-83.4	9.1	107.9	G126 G175 Y176	G126-R191 WeakPolarHBondContact CA-O 3.4Å; G126-R191 CarbonylContact O-C 3.49Å; G126-R191 PolarHBondContact O-N 2.9Å; G175-R191 PolarHBondContact O-NH1 3.2Å; Y176-R191 CarbonylContact O-C 3.52Å; Y176-R191 WeakPolarHBondContact O-CA 3.48Å; Y176-R191 WeakPolarHBondContact O-CG 3.34Å
192	I	91.8	Very high	87.2	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.339	C	S	.	.			trans	-74.7	137.8	178.7	61.3	167.2	0	0	0	110.5	L100 V124 G125 L127 F140 L173 G175 Y176 M178	L100-I192 HydrophobicContact CD2-CD1 4.5Å; V124-I192 HydrophobicContact CG1-CB 4.49Å; G125-I192 WeakPolarHBondContact O-CA 3.19Å; L127-I192 HydrophobicContact CD2-CG2 3.92Å; F140-I192 HydrophobicContact CZ-CD1 4.49Å; L173-I192 HydrophobicContact CB-CD1 4.24Å; L173-I192 WeakPolarHBondContact O-CD1 3.45Å; G175-I192 WeakPolarHBondContact CA-O 3.49Å; G175-I192 PolarHBondContact N-O 3.47Å; Y176-I192 WeakPolarHBondContact O-CG1 3.27Å; Y176-I192 PolarHBondContact O-N 2.92Å; M178-I192 HydrophobicContact CB-CG2 4.03Å; M178-I192 HydrophobicContact SD-CG2 3.93Å
193	H	91.8	Very high	88	Confident	54 Å²	54	65 Å²	65	25%	0.25	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.9	172.9	172.9	46.7	0	0	0	107.7	S111 V124 G125 S174	S111-H193 PolarHBondContact O-CE1 2.98Å; V124-H193 CarbonylContact C-O 3.56Å; V124-H193 WeakPolarHBondContact CA-O 3.46Å; G125-H193 PolarHBondContact N-O 3.15Å; G125-H193 PolarHBondContact O-N 3.1Å; S174-H193 PolarHBondContact OG-ND1 2.87Å
194	V	93	Very high	89	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.4	176.7	-166	0	0	0	0	108.3	V122 F123 V124 F140 A170 I171 L173 S174	V122-V194 HydrophobicContact CB-CG1 3.77Å; V122-V194 HydrophobicContact CG1-CG1 3.94Å; V122-V194 HydrophobicContact CG2-CG1 4.11Å; F123-V194 VanDerWaalsContact O-CA 3.31Å; F123-V194 WeakPolarHBondContact O-CA 3.48Å; V124-V194 HydrophobicContact CG1-CG2 4.33Å; V124-V194 HydrophobicContact CG2-CG1 4.25Å; V124-V194 HydrophobicContact CG2-CG2 4.3Å; F140-V194 HydrophobicContact CE1-CG1 4.42Å; F140-V194 HydrophobicContact CE1-CG2 3.88Å; F140-V194 HydrophobicContact CZ-CG2 3.73Å; A170-V194 HydrophobicContact CB-CG1 4.38Å; A170-V194 WeakPolarHBondContact O-CB 3.38Å; A170-V194 WeakPolarHBondContact O-CG1 3.39Å; A170-V194 WeakPolarHBondContact O-CG2 3.3Å; I171-V194 HydrophobicContact CD1-CG1 4.23Å; L173-V194 HydrophobicContact CB-CG2 4.31Å; S174-V194 VanDerWaalsContact CB-O 3.29Å; S174-V194 WeakPolarHBondContact CB-O 3.37Å; S174-V194 PolarHBondContact OG-N 3.34Å; S174-V194 PolarHBondContact OG-O 3.31Å
195	D	93.6	Very high	90.1	Very high	7 Å²	7	69 Å²	69	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163.4	-177.9	-168.5	17	0	0	0	109.8	T112 R113 V122 F123	T112-D195 WeakPolarHBondContact CA-OD1 3.43Å; R113-D195 WeakPolarHBondContact CD-OD2 3.5Å; R113-D195 VanDerWaalsContact CG-OD2 3.23Å; R113-D195 WeakPolarHBondContact CG-OD2 3.32Å; R113-D195 IonicContact CZ-OD2 3.07Å; R113-D195 PolarHBondContact N-OD1 3.22Å; R113-D195 IonicContact NE-OD2 2.71Å; R113-D195 PolarHBondContact NE-OD2 3.41Å; V122-D195 WeakPolarHBondContact CA-O 3.39Å; F123-D195 HydrophobicContact CD1-CB 4.45Å; F123-D195 PolarHBondContact N-O 3.11Å; F123-D195 PolarHBondContact O-N 3.29Å
196	F	93.9	Very high	90.7	Very high	23 Å²	23	67.8 Å²	67.8	10%	0.101	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.5	178.7	-60.3	-76.5	0	0	0	111.2	R113 R115 I167 I171	R113-F196 VanDerWaalsContact O-CD2 3.29Å; R113-F196 WeakPolarHBondContact O-CD2 3.34Å; R115-F196 HydrophobicContact CB-CD1 4.06Å; R115-F196 HydrophobicContact CB-CD2 4.25Å; R115-F196 HydrophobicContact CB-CE1 3.9Å; R115-F196 HydrophobicContact CB-CE2 4.1Å; R115-F196 HydrophobicContact CB-CG 4.23Å; R115-F196 HydrophobicContact CB-CZ 3.92Å; R115-F196 HydrophobicContact CG-CD1 3.77Å; R115-F196 HydrophobicContact CG-CE1 3.61Å; R115-F196 HydrophobicContact CG-CG 4.39Å; R115-F196 HydrophobicContact CG-CZ 4.12Å; I167-F196 HydrophobicContact CG2-CD1 3.66Å; I167-F196 HydrophobicContact CG2-CE1 3.54Å; I171-F196 HydrophobicContact CD1-CD1 4.21Å; I171-F196 HydrophobicContact CD1-CD2 4.3Å; I171-F196 HydrophobicContact CD1-CE1 4.2Å; I171-F196 HydrophobicContact CD1-CE2 4.29Å; I171-F196 HydrophobicContact CD1-CG 4.26Å; I171-F196 HydrophobicContact CD1-CZ 4.24Å; I171-F196 HydrophobicContact CG1-CD1 4.41Å; I171-F196 HydrophobicContact CG1-CE1 3.98Å; I171-F196 HydrophobicContact CG1-CZ 4.07Å
197	A	93.3	Very high	91.6	Very high	7 Å²	7	62 Å²	62	6%	0.058	28%	0.28	C	S	.	.			trans	-103.1	133.1	174.3	0	0	0	0	0	111.6	T121 F123 A199	T121-A197 HydrophobicContact CG2-CB 3.89Å; T121-A197 WeakPolarHBondContact O-CB 3.45Å; T121-A197 PolarHBondContact O-N 3.24Å; F123-A197 HydrophobicContact CB-CB 4.22Å; A197-A199 PolarHBondContact O-N 3.47Å
198	Q	92.3	Very high	92.1	Very high	166 Å²	166	58.4 Å²	58.4	78%	0.776	27%	0.268	S	S	*	.			trans	-82.2	81.3	172.3	-167.8	176.1	37.5	0	0	110	P116	P116-Q198 HydrophobicContact CG-CB 4.22Å; P116-Q198 HydrophobicContact CG-CG 4.47Å
199	A	92.8	Very high	92.4	Very high	23 Å²	23	62.5 Å²	62.5	19%	0.19	29%	0.285	C	S	.	.			trans	-82.1	136.5	174.7	0	0	0	0	0	111.5	T121 A197 D201 D202 L203	T121-A199 HydrophobicContact CG2-CB 4.34Å; T121-A199 WeakPolarHBondContact OG1-CB 3.27Å; A197-A199 PolarHBondContact O-N 3.47Å; A199-D201 VanDerWaalsContact C-N 3.34Å; A199-D202 HydrophobicContact CB-CB 4.13Å; A199-L203 PolarHBondContact O-N 3.43Å
200	R	91.5	Very high	92.8	Very high	220 Å²	220	65.9 Å²	65.9	83%	0.83	30%	0.3	S	S	*	.	H	α-helix	trans	-65.4	-37.7	178	-178.8	175.6	176.2	150.2	0.8	112.4	Y204	R200-Y204 WeakPolarHBondContact O-CB 3.36Å; R200-Y204 PolarHBondContact O-N 2.93Å
201	D	92.8	Very high	93.1	Very high	68 Å²	68	70.1 Å²	70.1	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-66.1	-44.4	-177.4	-53.9	-19.7	0	0	0	110.3	R150 A199 Y204 E205	R150-D201 IonicContact NH2-OD2 3.96Å; A199-D201 VanDerWaalsContact C-N 3.34Å; D201-Y204 PolarHBondContact O-N 3.32Å; D201-E205 PolarHBondContact O-N 2.82Å
202	D	94.1	Very high	93.2	Very high	4 Å²	4	70 Å²	70	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-46.8	176.7	-67.9	-3.9	0	0	0	112.2	K120 T121 R160 A199 Y204 E205 W206	K120-D202 WeakPolarHBondContact CA-OD2 3.37Å; K120-D202 PolarHBondContact N-OD2 3.39Å; T121-D202 VanDerWaalsContact CB-OD2 3.32Å; T121-D202 WeakPolarHBondContact CB-OD2 3.48Å; T121-D202 PolarHBondContact N-OD2 2.95Å; T121-D202 PolarHBondContact OG1-OD2 2.94Å; R160-D202 IonicContact CZ-OD1 2.67Å; R160-D202 VanDerWaalsContact CZ-OD1 3.3Å; R160-D202 IonicContact NE-OD1 3.91Å; R160-D202 PolarHBondContact NE-OD1 3.02Å; R160-D202 IonicContact NH2-OD1 3.62Å; R160-D202 PolarHBondContact NH2-OD1 2.73Å; R160-D202 VanDerWaalsContact NH2-OD1 3.1Å; A199-D202 HydrophobicContact CB-CB 4.13Å; D202-Y204 PolarHBondContact O-N 2.83Å; D202-E205 PolarHBondContact O-N 3.11Å; D202-W206 PolarHBondContact O-N 2.9Å
203	L	92.3	Very high	93.2	Very high	63 Å²	63	74 Å²	74	33%	0.33	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-42.4	176.6	179.9	62.9	0	0	0	111.8	A199 W206 E207	A199-L203 PolarHBondContact O-N 3.43Å; L203-W206 HydrophobicContact CD1-CE3 4.33Å; L203-W206 PolarHBondContact O-N 3.2Å; L203-E207 WeakPolarHBondContact O-CG 3.34Å; L203-E207 PolarHBondContact O-N 3.04Å
204	Y	93.6	Very high	93.2	Very high	143 Å²	143	73.7 Å²	73.7	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-64.8	-41.6	179.1	175.8	-99.6	0	0	0	112.6	R200 D201 D202 E207 C208	R200-Y204 WeakPolarHBondContact O-CB 3.36Å; R200-Y204 PolarHBondContact O-N 2.93Å; D201-Y204 PolarHBondContact O-N 3.32Å; D202-Y204 PolarHBondContact O-N 2.83Å; Y204-E207 PolarHBondContact O-N 3.3Å; Y204-C208 WeakPolarHBondContact O-CB 3.32Å; Y204-C208 PolarHBondContact O-N 3.47Å; Y204-C208 PolarHBondContact O-SG 3.4Å
205	E	93.4	Very high	93.2	Very high	82 Å²	82	80.1 Å²	80.1	38%	0.383	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-44.4	173.8	-77.2	174.9	-156.2	0	0	111.4	R160 D201 D202 C208 K209	R160-E205 IonicContact CZ-OE1 3.77Å; R160-E205 IonicContact NH1-OE1 3.44Å; R160-E205 PolarHBondContact NH1-OE1 3.14Å; R160-E205 IonicContact NH2-OE1 3.69Å; R160-E205 PolarHBondContact NH2-OE1 2.73Å; R160-E205 IonicContact NH2-OE2 2.67Å; R160-E205 PolarHBondContact NH2-OE2 2.98Å; D201-E205 PolarHBondContact O-N 2.82Å; D202-E205 PolarHBondContact O-N 3.11Å; E205-C208 PolarHBondContact O-N 3.34Å; E205-K209 PolarHBondContact O-N 2.96Å
206	W	94.7	Very high	93	Very high	86 Å²	86	84.1 Å²	84.1	33%	0.326	39%	0.389	S	S	.	.	H	α-helix	trans	-60.2	-48.6	175.8	-178.9	89.8	0	0	0	112.4	P117 D202 L203 C208 K209 Q210	P117-W206 HydrophobicContact CB-CD2 3.66Å; P117-W206 HydrophobicContact CB-CE3 4.02Å; P117-W206 HydrophobicContact CB-CG 4.08Å; P117-W206 HydrophobicContact CB-CH2 4.26Å; P117-W206 HydrophobicContact CB-CZ2 3.91Å; P117-W206 HydrophobicContact CB-CZ3 4.3Å; D202-W206 PolarHBondContact O-N 2.9Å; L203-W206 HydrophobicContact CD1-CE3 4.33Å; L203-W206 PolarHBondContact O-N 3.2Å; W206-C208 VanDerWaalsContact C-N 3.27Å; W206-C208 PolarHBondContact O-N 2.73Å; W206-K209 WeakPolarHBondContact O-CB 3.32Å; W206-K209 PolarHBondContact O-N 2.88Å; W206-K209 VanDerWaalsContact O-N 3.14Å; W206-Q210 HydrophobicContact CD2-CG 3.88Å; W206-Q210 HydrophobicContact CE3-CG 4.04Å; W206-Q210 HydrophobicContact CH2-CG 3.82Å; W206-Q210 HydrophobicContact CZ2-CG 3.64Å; W206-Q210 HydrophobicContact CZ3-CG 4.01Å; W206-Q210 WeakPolarHBondContact O-CG 3.5Å; W206-Q210 PolarHBondContact O-N 2.69Å
207	E	94.8	Very high	92.7	Very high	80 Å²	80	86.9 Å²	86.9	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-36.7	176.8	-74.7	-178.1	-176.3	0	0	112.7	L203 Y204 R211	L203-E207 WeakPolarHBondContact O-CG 3.34Å; L203-E207 PolarHBondContact O-N 3.04Å; Y204-E207 PolarHBondContact O-N 3.3Å; E207-R211 WeakPolarHBondContact O-CB 3.44Å; E207-R211 VanDerWaalsContact O-CG 3.32Å; E207-R211 WeakPolarHBondContact O-CG 3.38Å; E207-R211 PolarHBondContact O-N 3.32Å; E207-R211 PolarHBondContact O-NE 2.63Å; E207-R211 IonicContact OE2-NH2 3.19Å; E207-R211 PolarHBondContact OE2-NH2 3.4Å
208	C	94.5	Very high	92.4	Very high	39 Å²	39	94.4 Å²	94.4	26%	0.264	43%	0.429	S	S	.	.	H	α-helix	trans	-67.1	-41.1	176.5	-69.3	0	0	0	0	111.3	Y204 E205 W206 R211 L212	Y204-C208 WeakPolarHBondContact O-CB 3.32Å; Y204-C208 PolarHBondContact O-N 3.47Å; Y204-C208 PolarHBondContact O-SG 3.4Å; E205-C208 PolarHBondContact O-N 3.34Å; W206-C208 VanDerWaalsContact C-N 3.27Å; W206-C208 PolarHBondContact O-N 2.73Å; C208-R211 PolarHBondContact O-N 3.5Å; C208-R211 PolarHBondContact SG-NH2 3.23Å; C208-L212 PolarHBondContact O-N 3.29Å
209	K	93.1	Very high	92.3	Very high	113 Å²	113	92.3 Å²	92.3	49%	0.491	42%	0.419	S	S	.	.	H	α-helix	trans	-62.3	-45.2	174.1	-169.4	176	179.3	-179.5	0	111.5	E205 W206 L212 L213	E205-K209 PolarHBondContact O-N 2.96Å; W206-K209 WeakPolarHBondContact O-CB 3.32Å; W206-K209 PolarHBondContact O-N 2.88Å; W206-K209 VanDerWaalsContact O-N 3.14Å; K209-L212 WeakPolarHBondContact O-CB 3.42Å; K209-L212 PolarHBondContact O-N 2.77Å; K209-L212 VanDerWaalsContact O-N 3.16Å; K209-L213 WeakPolarHBondContact O-CG 3.47Å; K209-L213 PolarHBondContact O-N 3.29Å
210	Q	93.6	Very high	92.2	Very high	81 Å²	81	98.4 Å²	98.4	38%	0.379	44%	0.437	S	S	.	.	H	α-helix	trans	-61	-45.3	174	-65.6	-53.7	-36.6	0	0	112.1	W206 L212 L213 A214	W206-Q210 HydrophobicContact CD2-CG 3.88Å; W206-Q210 HydrophobicContact CE3-CG 4.04Å; W206-Q210 HydrophobicContact CH2-CG 3.82Å; W206-Q210 HydrophobicContact CZ2-CG 3.64Å; W206-Q210 HydrophobicContact CZ3-CG 4.01Å; W206-Q210 WeakPolarHBondContact O-CG 3.5Å; W206-Q210 PolarHBondContact O-N 2.69Å; Q210-L212 PolarHBondContact O-N 2.85Å; Q210-L213 PolarHBondContact O-N 3.07Å; Q210-A214 WeakPolarHBondContact O-CB 3.29Å; Q210-A214 PolarHBondContact O-N 3.07Å
211	R	94.6	Very high	91.9	Very high	102 Å²	102	95 Å²	95	39%	0.385	43%	0.425	S	S	.	.	H	α-helix	trans	-63	-27.7	175.6	-77.5	-179.8	-93	133.5	-8.7	112.9	E207 C208 R215	E207-R211 WeakPolarHBondContact O-CB 3.44Å; E207-R211 VanDerWaalsContact O-CG 3.32Å; E207-R211 WeakPolarHBondContact O-CG 3.38Å; E207-R211 PolarHBondContact O-N 3.32Å; E207-R211 PolarHBondContact O-NE 2.63Å; E207-R211 IonicContact OE2-NH2 3.19Å; E207-R211 PolarHBondContact OE2-NH2 3.4Å; C208-R211 PolarHBondContact O-N 3.5Å; C208-R211 PolarHBondContact SG-NH2 3.23Å; R211-R215 VanDerWaalsContact C-NH1 3.29Å; R211-R215 WeakPolarHBondContact O-CG 3.45Å; R211-R215 PolarHBondContact O-NH1 3.46Å
212	L	91.1	Very high	91.6	Very high	110 Å²	110	97.8 Å²	97.8	58%	0.576	43%	0.433	S	S	*	.	H	α-helix	trans	-72.6	-52.7	174.2	-179.5	60.3	0	0	0	110.8	C208 K209 Q210 A214 R215 E216	C208-L212 PolarHBondContact O-N 3.29Å; K209-L212 WeakPolarHBondContact O-CB 3.42Å; K209-L212 PolarHBondContact O-N 2.77Å; K209-L212 VanDerWaalsContact O-N 3.16Å; Q210-L212 PolarHBondContact O-N 2.85Å; L212-A214 VanDerWaalsContact C-N 3.31Å; L212-A214 PolarHBondContact O-N 3.33Å; L212-R215 WeakPolarHBondContact O-CB 3.45Å; L212-R215 PolarHBondContact O-N 3.22Å; L212-E216 PolarHBondContact O-N 3.26Å
213	L	92.4	Very high	91.1	Very high	83 Å²	83	101.9 Å²	101.9	44%	0.435	45%	0.454	S	S	.	.	H	α-helix	trans	-56.1	-43.7	178.5	-66.9	169.9	0	0	0	111.9	K209 Q210 R215 E216 E217	K209-L213 WeakPolarHBondContact O-CG 3.47Å; K209-L213 PolarHBondContact O-N 3.29Å; Q210-L213 PolarHBondContact O-N 3.07Å; L213-R215 VanDerWaalsContact C-N 3.25Å; L213-R215 PolarHBondContact O-N 2.85Å; L213-E216 PolarHBondContact O-N 2.8Å; L213-E217 WeakPolarHBondContact O-CB 3.42Å; L213-E217 PolarHBondContact O-N 3.4Å
214	A	91.7	Very high	90.6	Very high	48 Å²	48	104.8 Å²	104.8	40%	0.397	47%	0.466	S	S	.	.	H	α-helix	trans	-68.7	-16.2	177.3	0	0	0	0	0	114.7	Q210 L212 R218	Q210-A214 WeakPolarHBondContact O-CB 3.29Å; Q210-A214 PolarHBondContact O-N 3.07Å; L212-A214 VanDerWaalsContact C-N 3.31Å; L212-A214 PolarHBondContact O-N 3.33Å; A214-R218 WeakPolarHBondContact O-CG 3.4Å; A214-R218 PolarHBondContact O-NE 2.74Å; A214-R218 VanDerWaalsContact O-NE 3.07Å
215	R	92.9	Very high	89.9	Confident	135 Å²	135	103.8 Å²	103.8	51%	0.509	47%	0.466	S	S	.	.	H	α-helix	trans	-84.4	-44.2	168.5	-72.8	178.5	-168.2	104.7	-14.4	110.7	R211 L212 L213 E217 R218 H219	R211-R215 VanDerWaalsContact C-NH1 3.29Å; R211-R215 WeakPolarHBondContact O-CG 3.45Å; R211-R215 PolarHBondContact O-NH1 3.46Å; L212-R215 WeakPolarHBondContact O-CB 3.45Å; L212-R215 PolarHBondContact O-N 3.22Å; L213-R215 VanDerWaalsContact C-N 3.25Å; L213-R215 PolarHBondContact O-N 2.85Å; R215-E217 VanDerWaalsContact C-N 3.34Å; R215-E217 PolarHBondContact O-N 3.32Å; R215-R218 PolarHBondContact O-N 2.78Å; R215-H219 WeakPolarHBondContact O-CB 3.37Å; R215-H219 PolarHBondContact O-N 3.04Å
216	E	89.8	Confident	89.2	Confident	91 Å²	91	102.9 Å²	102.9	43%	0.425	46%	0.464	S	S	.	.	H	α-helix	trans	-61.3	-42.6	178.7	-161.7	-157.1	146.9	0	0	111.6	L212 L213 H219 R220	L212-E216 PolarHBondContact O-N 3.26Å; L213-E216 PolarHBondContact O-N 2.8Å; E216-H219 WeakPolarHBondContact O-CB 3.49Å; E216-H219 PolarHBondContact O-N 2.81Å; E216-R220 WeakPolarHBondContact O-CB 3.33Å; E216-R220 PolarHBondContact O-N 3.42Å; E216-R220 IonicContact OE1-CZ 3.47Å; E216-R220 IonicContact OE1-NH2 2.74Å; E216-R220 PolarHBondContact OE1-NH2 2.7Å; E216-R220 IonicContact OE2-NH2 3.14Å
217	E	87.9	Confident	88.3	Confident	80 Å²	80	108.8 Å²	108.8	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-62.8	-44.6	176.7	-169	-174.3	-170.4	0	0	111.8	L213 R215 H219 R220 R221	L213-E217 WeakPolarHBondContact O-CB 3.42Å; L213-E217 PolarHBondContact O-N 3.4Å; R215-E217 VanDerWaalsContact C-N 3.34Å; R215-E217 PolarHBondContact O-N 3.32Å; E217-H219 VanDerWaalsContact C-N 3.32Å; E217-H219 PolarHBondContact O-N 3.24Å; E217-R220 PolarHBondContact O-N 3.45Å; E217-R221 WeakPolarHBondContact O-CG 3.42Å; E217-R221 PolarHBondContact O-N 3.34Å; E217-R221 IonicContact OE1-CZ 2.69Å; E217-R221 IonicContact OE1-NE 3.44Å; E217-R221 PolarHBondContact OE1-NE 3.09Å; E217-R221 IonicContact OE1-NH2 3.92Å; E217-R221 PolarHBondContact OE1-NH2 3.44Å; E217-R221 IonicContact OE2-NH2 2.86Å
218	R	86.7	Confident	87.3	Confident	166 Å²	166	111.2 Å²	111.2	63%	0.626	50%	0.501	S	S	*	.	H	α-helix	trans	-62.7	-38.8	174.8	-75	-172.6	-65.9	147.1	-5.2	112.2	A214 R215 K222	A214-R218 WeakPolarHBondContact O-CG 3.4Å; A214-R218 PolarHBondContact O-NE 2.74Å; A214-R218 VanDerWaalsContact O-NE 3.07Å; R215-R218 PolarHBondContact O-N 2.78Å; R218-K222 WeakPolarHBondContact O-CB 3.47Å; R218-K222 PolarHBondContact O-N 2.84Å
219	H	90.8	Very high	86.5	Confident	122 Å²	122	115.7 Å²	115.7	57%	0.565	51%	0.512	S	S	*	.	H	α-helix	trans	-63.4	-44.5	174.8	-177.3	-109.9	0	0	0	111.4	R215 E216 E217 K222 I223	R215-H219 WeakPolarHBondContact O-CB 3.37Å; R215-H219 PolarHBondContact O-N 3.04Å; E216-H219 WeakPolarHBondContact O-CB 3.49Å; E216-H219 PolarHBondContact O-N 2.81Å; E217-H219 VanDerWaalsContact C-N 3.32Å; E217-H219 PolarHBondContact O-N 3.24Å; H219-K222 PolarHBondContact O-N 3.22Å; H219-I223 WeakPolarHBondContact CE1-CD1 3.07Å; H219-I223 WeakPolarHBondContact O-CG1 3.36Å; H219-I223 PolarHBondContact O-N 3.19Å
220	R	90.5	Very high	85.3	Confident	151 Å²	151	115.3 Å²	115.3	57%	0.57	52%	0.522	S	S	*	.	H	α-helix	trans	-62.8	-45.7	177	-163.1	-173.8	-55.5	162.4	2.8	112.1	E216 E217 I223 H224	E216-R220 WeakPolarHBondContact O-CB 3.33Å; E216-R220 PolarHBondContact O-N 3.42Å; E216-R220 IonicContact OE1-CZ 3.47Å; E216-R220 IonicContact OE1-NH2 2.74Å; E216-R220 PolarHBondContact OE1-NH2 2.7Å; E216-R220 IonicContact OE2-NH2 3.14Å; E217-R220 PolarHBondContact O-N 3.45Å; R220-I223 PolarHBondContact O-N 3.47Å; R220-H224 PolarHBondContact O-N 3.17Å; R220-H224 VanDerWaalsContact O-N 3.09Å
221	R	84.7	Confident	83.9	Confident	149 Å²	149	117.2 Å²	117.2	56%	0.562	54%	0.541	S	S	*	.	H	α-helix	trans	-61	-46.9	174.4	-70.5	-179.4	-170.2	-163.8	5.2	111.2	E217 I223 H224 E225	E217-R221 WeakPolarHBondContact O-CG 3.42Å; E217-R221 PolarHBondContact O-N 3.34Å; E217-R221 IonicContact OE1-CZ 2.69Å; E217-R221 IonicContact OE1-NE 3.44Å; E217-R221 PolarHBondContact OE1-NE 3.09Å; E217-R221 IonicContact OE1-NH2 3.92Å; E217-R221 PolarHBondContact OE1-NH2 3.44Å; E217-R221 IonicContact OE2-NH2 2.86Å; R221-I223 PolarHBondContact O-N 3.2Å; R221-H224 WeakPolarHBondContact O-CB 3.35Å; R221-H224 PolarHBondContact O-N 3.39Å; R221-E225 WeakPolarHBondContact O-CB 3.19Å; R221-E225 PolarHBondContact O-N 3.09Å
222	K	87.3	Confident	82.3	Confident	126 Å²	126	117.3 Å²	117.3	55%	0.548	56%	0.557	S	S	.	*	H	α-helix	trans	-59.7	-45.3	177.2	-179	176.3	176.5	-177.1	0	112.4	R218 H219 H224 E225 D226	R218-K222 WeakPolarHBondContact O-CB 3.47Å; R218-K222 PolarHBondContact O-N 2.84Å; H219-K222 PolarHBondContact O-N 3.22Å; K222-H224 VanDerWaalsContact C-N 3.28Å; K222-H224 PolarHBondContact O-N 3.03Å; K222-E225 PolarHBondContact O-N 2.71Å; K222-D226 WeakPolarHBondContact CE-OD2 3.38Å; K222-D226 WeakPolarHBondContact CG-OD2 3.4Å; K222-D226 WeakPolarHBondContact O-CB 3.23Å; K222-D226 PolarHBondContact O-N 2.94Å
223	I	82.6	Confident	81.2	Confident	89 Å²	89	117.1 Å²	117.1	46%	0.456	56%	0.563	S	S	.	*	H	α-helix	trans	-61	-38.9	176.6	-74.3	172.3	0	0	0	111.5	H219 R220 R221 R227	H219-I223 WeakPolarHBondContact CE1-CD1 3.07Å; H219-I223 WeakPolarHBondContact O-CG1 3.36Å; H219-I223 PolarHBondContact O-N 3.19Å; R220-I223 PolarHBondContact O-N 3.47Å; R221-I223 PolarHBondContact O-N 3.2Å; I223-R227 WeakPolarHBondContact O-CB 3.47Å; I223-R227 PolarHBondContact O-N 3.49Å
224	H	82.1	Confident	79.9	Confident	124 Å²	124	118.2 Å²	118.2	57%	0.574	58%	0.575	S	S	*	*	H	α-helix	trans	-67.8	-41.9	177.3	-167.4	-77.1	0	0	0	112	R220 R221 K222 R227 L228	R220-H224 PolarHBondContact O-N 3.17Å; R220-H224 VanDerWaalsContact O-N 3.09Å; R221-H224 WeakPolarHBondContact O-CB 3.35Å; R221-H224 PolarHBondContact O-N 3.39Å; K222-H224 VanDerWaalsContact C-N 3.28Å; K222-H224 PolarHBondContact O-N 3.03Å; H224-R227 PolarHBondContact O-N 3.05Å; H224-L228 WeakPolarHBondContact O-CG 3.5Å; H224-L228 PolarHBondContact O-N 3.37Å
225	E	79.4	Confident	78.8	Confident	123 Å²	123	121.9 Å²	121.9	58%	0.575	59%	0.594	S	S	*	*	H	α-helix	trans	-65.6	-46.1	175.4	-171.4	-174.6	165.4	0	0	112	R221 K222 R227 L228 R229	R221-E225 WeakPolarHBondContact O-CB 3.19Å; R221-E225 PolarHBondContact O-N 3.09Å; K222-E225 PolarHBondContact O-N 2.71Å; E225-R227 PolarHBondContact O-N 3.45Å; E225-L228 PolarHBondContact O-N 2.86Å; E225-L228 VanDerWaalsContact O-N 3.08Å; E225-R229 PolarHBondContact O-N 3.34Å; E225-R229 VanDerWaalsContact O-N 3.08Å
226	D	76.9	Confident	77.6	Confident	62 Å²	62	119.3 Å²	119.3	33%	0.332	59%	0.59	S	S	.	*	H	α-helix	trans	-63.5	-27.9	176.1	-75.9	-29.6	0	0	0	112	K222 R229	K222-D226 WeakPolarHBondContact CE-OD2 3.38Å; K222-D226 WeakPolarHBondContact CG-OD2 3.4Å; K222-D226 WeakPolarHBondContact O-CB 3.23Å; K222-D226 PolarHBondContact O-N 2.94Å; D226-R229 IonicContact OD1-CZ 3.85Å; D226-R229 IonicContact OD1-NH1 3.31Å; D226-R229 PolarHBondContact OD1-NH1 3.15Å; D226-R229 IonicContact OD1-NH2 3.37Å; D226-R229 PolarHBondContact OD1-NH2 2.82Å
227	R	76.9	Confident	77.2	Confident	211 Å²	211	117.5 Å²	117.5	80%	0.796	59%	0.585	S	S	*	*	H	α-helix	trans	-73.2	-31.8	172	176.8	-177.8	-77.9	-156.1	-2.4	113.1	I223 H224 E225	I223-R227 WeakPolarHBondContact O-CB 3.47Å; I223-R227 PolarHBondContact O-N 3.49Å; H224-R227 PolarHBondContact O-N 3.05Å; E225-R227 PolarHBondContact O-N 3.45Å
228	L	74.3	Confident	77	Confident	130 Å²	130	120.3 Å²	120.3	68%	0.681	60%	0.598	S	S	*	*	H	α-helix	trans	-83.8	-16.4	179	-71.2	175.4	0	0	0	113.1	H224 E225	H224-L228 WeakPolarHBondContact O-CG 3.5Å; H224-L228 PolarHBondContact O-N 3.37Å; E225-L228 PolarHBondContact O-N 2.86Å; E225-L228 VanDerWaalsContact O-N 3.08Å
229	R	76.3	Confident	77.3	Confident	133 Å²	133	114.6 Å²	114.6	50%	0.502	58%	0.577	S	S	.	*	S	Bend	trans	-62.6	130.3	172.3	-166.4	176.7	-61.2	121.6	14.6	109.1	E225 D226	E225-R229 PolarHBondContact O-N 3.34Å; E225-R229 VanDerWaalsContact O-N 3.08Å; D226-R229 IonicContact OD1-CZ 3.85Å; D226-R229 IonicContact OD1-NH1 3.31Å; D226-R229 PolarHBondContact OD1-NH1 3.15Å; D226-R229 IonicContact OD1-NH2 3.37Å; D226-R229 PolarHBondContact OD1-NH2 2.82Å
230	P	69.6	Low	77.3	Confident	106 Å²	106	111 Å²	111	69%	0.688	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-52.6	140.3	171.7	-25.6	34.2	0	0	0	110.2	S232	P230-S232 PolarHBondContact O-N 3.47Å
231	P	64	Low	77.4	Confident	121 Å²	121	110.7 Å²	110.7	79%	0.786	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-56.5	129.4	173.5	24.9	-33	0	0	0	108.3
232	S	60.8	Low	77.8	Confident	103 Å²	103	109.7 Å²	109.7	72%	0.72	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-51.5	136.1	173.5	-59	0	0	0	0	108.9	P230	P230-S232 PolarHBondContact O-N 3.47Å
233	P	67	Low	78.1	Confident	107 Å²	107	107 Å²	107	70%	0.695	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-48.5	135.8	178.2	-28.8	35.1	0	0	0	110.4
234	P	64.7	Low	78.6	Confident	106 Å²	106	103 Å²	103	69%	0.688	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-49.4	137.1	-179.4	-28.5	34.9	0	0	0	110.5	I236	P234-I236 WeakPolarHBondContact O-CG1 3.15Å; P234-I236 PolarHBondContact O-N 3.41Å
235	P	69.4	Low	79.1	Confident	125 Å²	125	99.9 Å²	99.9	81%	0.812	54%	0.537	S	S	*	.			trans	-52.4	112.6	178.5	-26.5	34.6	0	0	0	109.6	V237	P235-V237 PolarHBondContact O-N 3.49Å
236	I	68.3	Low	79.8	Confident	80 Å²	80	97.9 Å²	97.9	41%	0.41	53%	0.53	S	S	.	.			trans	-75.3	102.1	-170.6	-53.6	173.1	0	0	0	107.1	P234 H238 T266 R270	P234-I236 WeakPolarHBondContact O-CG1 3.15Å; P234-I236 PolarHBondContact O-N 3.41Å; I236-H238 PolarHBondContact O-N 3.24Å; I236-T266 HydrophobicContact CG2-CG2 3.54Å; I236-R270 VanDerWaalsContact CG2-NH1 3.26Å
237	V	80.8	Confident	80.6	Confident	54 Å²	54	95.3 Å²	95.3	33%	0.327	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-47.5	125	-177.7	-174.2	0	0	0	0	109	P235 E243 W267	P235-V237 PolarHBondContact O-N 3.49Å; V237-E243 HydrophobicContact CG1-CB 4.12Å; V237-E243 HydrophobicContact CG1-CG 3.76Å; V237-E243 WeakPolarHBondContact CG1-OE2 3.22Å; V237-W267 HydrophobicContact CG1-CZ2 4.1Å; V237-W267 PolarHBondContact O-NE1 3.03Å
238	H	84.9	Confident	81.4	Confident	139 Å²	139	86.2 Å²	86.2	64%	0.644	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-80.7	148.6	178.5	-69.2	-81.8	0	0	0	110.2	I236 S240	I236-H238 PolarHBondContact O-N 3.24Å; H238-S240 PolarHBondContact O-N 3.38Å
239	Y	91.1	Very high	82.4	Confident	46 Å²	46	85.1 Å²	85.1	18%	0.18	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-61.9	126.8	175.7	179.8	-98.6	0	0	0	110.6	A244 W267 E272 T277 F281	Y239-A244 HydrophobicContact CD2-CB 4.41Å; Y239-A244 HydrophobicContact CE2-CB 3.73Å; Y239-W267 HydrophobicContact CD2-CD2 4.08Å; Y239-W267 AromaticContact CD2-CE3 3.72Å; Y239-W267 HydrophobicContact CD2-CE3 3.72Å; Y239-W267 HydrophobicContact CD2-CH2 4.44Å; Y239-W267 AromaticContact CD2-CZ3 3.91Å; Y239-W267 HydrophobicContact CD2-CZ3 3.91Å; Y239-W267 HydrophobicContact CE2-CE3 4.37Å; Y239-W267 HydrophobicContact CE2-CZ3 4.36Å; Y239-E272 HydrophobicContact CD2-CB 4.49Å; Y239-E272 HydrophobicContact CG-CB 4.17Å; Y239-E272 HydrophobicContact CG-CG 4.43Å; Y239-T277 HydrophobicContact CD1-CG2 4.46Å; Y239-T277 HydrophobicContact CE1-CG2 3.49Å; Y239-T277 VanDerWaalsContact CE1-CG2 3.49Å; Y239-T277 WeakPolarHBondContact OH-CG2 3.47Å; Y239-F281 AromaticContact CD2-CE2 3.82Å; Y239-F281 HydrophobicContact CD2-CE2 3.82Å; Y239-F281 AromaticContact CD2-CZ 3.62Å; Y239-F281 HydrophobicContact CD2-CZ 3.62Å; Y239-F281 HydrophobicContact CE2-CD2 4.39Å; Y239-F281 AromaticContact CE2-CE2 3.42Å; Y239-F281 HydrophobicContact CE2-CE2 3.42Å; Y239-F281 VanDerWaalsContact CE2-CE2 3.42Å; Y239-F281 AromaticContact CE2-CZ 3.65Å; Y239-F281 HydrophobicContact CE2-CZ 3.65Å; Y239-F281 AromaticContact CZ-CE2 3.98Å
240	S	92.6	Very high	83.2	Confident	47 Å²	47	82 Å²	82	33%	0.329	47%	0.468	S	S	.	.			trans	-145.9	160.1	164.1	74.4	0	0	0	0	108.7	H238 H242 E243 A244	H238-S240 PolarHBondContact O-N 3.38Å; S240-H242 PolarHBondContact O-N 2.94Å; S240-E243 PolarHBondContact O-N 3.45Å; S240-E243 WeakPolarHBondContact OG-CB 3.47Å; S240-E243 WeakPolarHBondContact OG-CG 3.5Å; S240-E243 PolarHBondContact OG-N 3.14Å; S240-E243 VanDerWaalsContact OG-N 3.15Å; S240-A244 VanDerWaalsContact O-CB 3.28Å; S240-A244 WeakPolarHBondContact O-CB 3.12Å; S240-A244 PolarHBondContact O-N 3.21Å
241	E	91.1	Very high	84.3	Confident	144 Å²	144	77 Å²	77	67%	0.673	44%	0.435	S	S	*	.	H	α-helix	trans	-60	-35.5	178.6	-171.7	169.1	-157.5	0	0	112.2	A245	E241-A245 PolarHBondContact O-N 3.02Å; E241-A245 VanDerWaalsContact O-N 3.14Å
242	H	92.8	Very high	85.6	Confident	127 Å²	127	76.5 Å²	76.5	59%	0.588	42%	0.421	S	S	*	.	H	α-helix	trans	-68.7	-50.3	176	-175.9	63.4	0	0	0	112.3	S240 A244 A245 L246	S240-H242 PolarHBondContact O-N 2.94Å; H242-A244 VanDerWaalsContact C-N 3.26Å; H242-A244 PolarHBondContact O-N 3.06Å; H242-A245 PolarHBondContact O-N 2.74Å; H242-L246 PolarHBondContact O-N 3.37Å
243	E	93.4	Very high	87	Confident	69 Å²	69	75 Å²	75	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-35.5	177.6	-68.5	-59.9	141.6	0	0	111.3	V237 S240 L246 L247 W267	V237-E243 HydrophobicContact CG1-CB 4.12Å; V237-E243 HydrophobicContact CG1-CG 3.76Å; V237-E243 WeakPolarHBondContact CG1-OE2 3.22Å; S240-E243 PolarHBondContact O-N 3.45Å; S240-E243 WeakPolarHBondContact OG-CB 3.47Å; S240-E243 WeakPolarHBondContact OG-CG 3.5Å; S240-E243 PolarHBondContact OG-N 3.14Å; S240-E243 VanDerWaalsContact OG-N 3.15Å; E243-L246 PolarHBondContact O-N 2.82Å; E243-L247 VanDerWaalsContact O-CB 3.3Å; E243-L247 WeakPolarHBondContact O-CB 3.31Å; E243-L247 PolarHBondContact O-N 3.33Å; E243-W267 HydrophobicContact CB-CH2 3.88Å; E243-W267 HydrophobicContact CB-CZ2 4.02Å
244	A	93.4	Very high	87.9	Confident	7 Å²	7	74 Å²	74	6%	0.058	39%	0.391	C	S	.	.	H	α-helix	trans	-66.5	-37.3	176.8	0	0	0	0	0	112.6	Y239 S240 H242 L247 A248 W267 M284	Y239-A244 HydrophobicContact CD2-CB 4.41Å; Y239-A244 HydrophobicContact CE2-CB 3.73Å; S240-A244 VanDerWaalsContact O-CB 3.28Å; S240-A244 WeakPolarHBondContact O-CB 3.12Å; S240-A244 PolarHBondContact O-N 3.21Å; H242-A244 VanDerWaalsContact C-N 3.26Å; H242-A244 PolarHBondContact O-N 3.06Å; A244-L247 PolarHBondContact O-N 3.18Å; A244-A248 WeakPolarHBondContact O-CB 3.49Å; A244-A248 PolarHBondContact O-N 3.05Å; A244-W267 HydrophobicContact CB-CH2 4.34Å; A244-W267 HydrophobicContact CB-CZ3 3.96Å; A244-M284 HydrophobicContact CB-CE 4.45Å
245	A	94	Very high	89.1	Confident	57 Å²	57	75.3 Å²	75.3	47%	0.471	39%	0.392	S	S	.	.	H	α-helix	trans	-65.8	-43.5	172.5	0	0	0	0	0	111.8	E241 H242 L247 A248 E249	E241-A245 PolarHBondContact O-N 3.02Å; E241-A245 VanDerWaalsContact O-N 3.14Å; H242-A245 PolarHBondContact O-N 2.74Å; A245-L247 VanDerWaalsContact C-N 3.33Å; A245-L247 PolarHBondContact O-N 2.92Å; A245-A248 PolarHBondContact O-N 3.08Å; A245-E249 PolarHBondContact O-N 2.92Å
246	L	93.7	Very high	90.1	Very high	82 Å²	82	73 Å²	73	43%	0.429	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-40.2	174.7	-67.1	178.1	0	0	0	112	H242 E243 E249 K250	H242-L246 PolarHBondContact O-N 3.37Å; E243-L246 PolarHBondContact O-N 2.82Å; L246-E249 PolarHBondContact O-N 2.85Å; L246-K250 WeakPolarHBondContact O-CG 3.17Å; L246-K250 PolarHBondContact O-N 2.77Å
247	L	94	Very high	91.2	Very high	7 Å²	7	71.4 Å²	71.4	4%	0.037	36%	0.36	C	S	.	.	H	α-helix	trans	-66.2	-40.3	177.5	-167.3	66.5	0	0	0	111.7	E243 A244 A245 E249 K250 L251 A260 V263 L264 W267 M284	E243-L247 VanDerWaalsContact O-CB 3.3Å; E243-L247 WeakPolarHBondContact O-CB 3.31Å; E243-L247 PolarHBondContact O-N 3.33Å; A244-L247 PolarHBondContact O-N 3.18Å; A245-L247 VanDerWaalsContact C-N 3.33Å; A245-L247 PolarHBondContact O-N 2.92Å; L247-E249 VanDerWaalsContact C-N 3.29Å; L247-E249 PolarHBondContact O-N 3.14Å; L247-K250 PolarHBondContact O-N 3.32Å; L247-L251 HydrophobicContact CG-CD1 4.13Å; L247-L251 HydrophobicContact CG-CG 4.42Å; L247-L251 WeakPolarHBondContact O-CB 3.14Å; L247-L251 VanDerWaalsContact O-CG 3.26Å; L247-L251 WeakPolarHBondContact O-CG 3.38Å; L247-L251 PolarHBondContact O-N 3.35Å; L247-A260 HydrophobicContact CD1-CB 3.84Å; L247-V263 HydrophobicContact CD1-CB 3.91Å; L247-V263 HydrophobicContact CD1-CG1 4.05Å; L247-V263 HydrophobicContact CD2-CB 4.26Å; L247-V263 HydrophobicContact CD2-CG1 3.89Å; L247-L264 HydrophobicContact CD2-CB 4.06Å; L247-L264 HydrophobicContact CD2-CD1 4.45Å; L247-W267 HydrophobicContact CB-CH2 4.15Å; L247-W267 HydrophobicContact CB-CZ3 4.17Å; L247-W267 HydrophobicContact CD2-CD2 4.41Å; L247-W267 HydrophobicContact CD2-CE3 3.69Å; L247-W267 HydrophobicContact CD2-CH2 3.76Å; L247-W267 HydrophobicContact CD2-CZ2 4.46Å; L247-W267 HydrophobicContact CD2-CZ3 3.32Å; L247-W267 HydrophobicContact CG-CZ3 4.38Å; L247-M284 HydrophobicContact CB-SD 4.17Å; L247-M284 HydrophobicContact CD2-SD 3.96Å; L247-M284 HydrophobicContact CG-SD 4.26Å
248	A	93.6	Very high	91.6	Very high	21 Å²	21	73.8 Å²	73.8	17%	0.174	38%	0.378	C	S	.	.	H	α-helix	trans	-61.8	-32.7	176.5	0	0	0	0	0	113.3	A244 A245 K252 M284	A244-A248 WeakPolarHBondContact O-CB 3.49Å; A244-A248 PolarHBondContact O-N 3.05Å; A245-A248 PolarHBondContact O-N 3.08Å; A248-K252 WeakPolarHBondContact O-CE 3.36Å; A248-M284 HydrophobicContact CB-CG 3.92Å
249	E	93.9	Very high	91.8	Very high	107 Å²	107	72.1 Å²	72.1	50%	0.5	37%	0.371	S	S	.	.	H	α-helix	trans	-76.1	-42.7	171.4	-61.9	-51	131	0	0	111.9	A245 L246 L247 L251 K252	A245-E249 PolarHBondContact O-N 2.92Å; L246-E249 PolarHBondContact O-N 2.85Å; L247-E249 VanDerWaalsContact C-N 3.29Å; L247-E249 PolarHBondContact O-N 3.14Å; E249-L251 PolarHBondContact O-N 3.14Å; E249-K252 WeakPolarHBondContact O-CB 3.21Å; E249-K252 PolarHBondContact O-N 3.38Å; E249-K252 IonicContact OE1-NZ 3.29Å; E249-K252 PolarHBondContact OE1-NZ 3.31Å; E249-K252 IonicContact OE2-NZ 2.69Å; E249-K252 PolarHBondContact OE2-NZ 3.35Å
250	K	93.4	Very high	91.9	Very high	68 Å²	68	70 Å²	70	30%	0.296	36%	0.363	S	S	.	.	H	α-helix	trans	-58.1	-33.7	173.6	-71.5	-176.4	174.8	-172.8	0	112.6	L246 L247 K252 E253 K256 E259 A260	L246-K250 WeakPolarHBondContact O-CG 3.17Å; L246-K250 PolarHBondContact O-N 2.77Å; L247-K250 PolarHBondContact O-N 3.32Å; K250-K252 PolarHBondContact O-N 3.46Å; K250-E253 PolarHBondContact O-N 3.02Å; K250-E253 VanDerWaalsContact O-N 3.11Å; K250-K256 HydrophobicContact CB-CB 4.5Å; K250-K256 HydrophobicContact CG-CD 4.23Å; K250-E259 IonicContact NZ-OE1 2.84Å; K250-E259 PolarHBondContact NZ-OE1 3.49Å; K250-A260 HydrophobicContact CB-CB 3.75Å
251	L	93.9	Very high	91.9	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	4.4	175.8	-75.7	168.5	0	0	0	114.5	L247 E249 F257 A260 L264 M284 H291	L247-L251 HydrophobicContact CG-CD1 4.13Å; L247-L251 HydrophobicContact CG-CG 4.42Å; L247-L251 WeakPolarHBondContact O-CB 3.14Å; L247-L251 VanDerWaalsContact O-CG 3.26Å; L247-L251 WeakPolarHBondContact O-CG 3.38Å; L247-L251 PolarHBondContact O-N 3.35Å; E249-L251 PolarHBondContact O-N 3.14Å; L251-F257 HydrophobicContact CD2-CD2 4.36Å; L251-F257 HydrophobicContact CD2-CE2 4.13Å; L251-A260 HydrophobicContact CD2-CB 3.72Å; L251-A260 HydrophobicContact CG-CB 3.88Å; L251-L264 HydrophobicContact CD1-CD2 3.9Å; L251-L264 HydrophobicContact CD2-CD2 4.42Å; L251-M284 HydrophobicContact CD1-CB 3.66Å; L251-M284 HydrophobicContact CD1-CG 3.91Å; L251-M284 HydrophobicContact CD1-SD 4.25Å; L251-H291 PolarHBondContact O-CD2 3.44Å; L251-H291 PolarHBondContact O-NE2 3.42Å
252	K	91.1	Very high	92	Very high	110 Å²	110	65.8 Å²	65.8	48%	0.478	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-11.4	168.3	-54.5	171.1	-162	166.6	0	112.4	A248 E249 K250	A248-K252 WeakPolarHBondContact O-CE 3.36Å; E249-K252 WeakPolarHBondContact O-CB 3.21Å; E249-K252 PolarHBondContact O-N 3.38Å; E249-K252 IonicContact OE1-NZ 3.29Å; E249-K252 PolarHBondContact OE1-NZ 3.31Å; E249-K252 IonicContact OE2-NZ 2.69Å; E249-K252 PolarHBondContact OE2-NZ 3.35Å; K250-K252 PolarHBondContact O-N 3.46Å
253	E	90.1	Very high	92	Very high	72 Å²	72	61.3 Å²	61.3	34%	0.336	33%	0.332	S	S	.	.			trans	-97.6	112.4	-176.8	-70.1	-170.7	-127.1	0	0	110.8	K250 N255 K256 F257	K250-E253 PolarHBondContact O-N 3.02Å; K250-E253 VanDerWaalsContact O-N 3.11Å; E253-N255 VanDerWaalsContact C-N 3.28Å; E253-N255 PolarHBondContact O-N 3Å; E253-N255 PolarHBondContact OE2-OD1 3.35Å; E253-K256 HydrophobicContact CB-CB 4.33Å; E253-K256 HydrophobicContact CB-CD 4.48Å; E253-K256 CarbonylContact O-C 3.56Å; E253-K256 PolarHBondContact O-N 3.44Å; E253-K256 IonicContact OE1-NZ 3.4Å; E253-K256 PolarHBondContact OE1-NZ 2.83Å; E253-K256 WeakPolarHBondContact OE2-CD 3.48Å; E253-K256 WeakPolarHBondContact OE2-CE 3.26Å; E253-K256 IonicContact OE2-NZ 2.73Å; E253-K256 PolarHBondContact OE2-NZ 2.91Å; E253-F257 PolarHBondContact O-N 3.3Å
254	D	86.6	Confident	92	Very high	87 Å²	87	58.4 Å²	58.4	47%	0.465	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-40.2	-176.5	-69.9	-21	0	0	0	114.1	K256 F257 H291 R294	D254-K256 VanDerWaalsContact C-N 3.26Å; D254-K256 PolarHBondContact O-N 3.25Å; D254-F257 PolarHBondContact O-N 3.15Å; D254-H291 IonicContact OD1-CE1 3.42Å; D254-H291 PolarHBondContact OD1-CE1 2.79Å; D254-H291 IonicContact OD1-ND1 3.4Å; D254-H291 PolarHBondContact OD1-ND1 2.65Å; D254-R294 IonicContact OD1-CZ 2.72Å; D254-R294 IonicContact OD1-NE 2.66Å; D254-R294 PolarHBondContact OD1-NE 2.87Å; D254-R294 IonicContact OD1-NH2 2.67Å; D254-R294 PolarHBondContact OD1-NH2 2.68Å; D254-R294 IonicContact OD2-CZ 2.89Å; D254-R294 IonicContact OD2-NE 2.64Å; D254-R294 PolarHBondContact OD2-NE 3.25Å; D254-R294 IonicContact OD2-NH2 2.71Å; D254-R294 PolarHBondContact OD2-NH2 3.35Å
255	N	89.3	Confident	92	Very high	133 Å²	133	64.3 Å²	64.3	71%	0.711	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.5	-179.1	63.3	-6.7	0	0	0	114.2	E253	E253-N255 VanDerWaalsContact C-N 3.28Å; E253-N255 PolarHBondContact O-N 3Å; E253-N255 PolarHBondContact OE2-OD1 3.35Å
256	K	89.8	Confident	92	Very high	76 Å²	76	63.4 Å²	63.4	33%	0.33	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-5.1	177.5	-65.4	172.3	-166.3	153.8	0	112.7	K250 E253 D254 S258 E259 A260	K250-K256 HydrophobicContact CB-CB 4.5Å; K250-K256 HydrophobicContact CG-CD 4.23Å; E253-K256 HydrophobicContact CB-CB 4.33Å; E253-K256 HydrophobicContact CB-CD 4.48Å; E253-K256 CarbonylContact O-C 3.56Å; E253-K256 PolarHBondContact O-N 3.44Å; E253-K256 IonicContact OE1-NZ 3.4Å; E253-K256 PolarHBondContact OE1-NZ 2.83Å; E253-K256 WeakPolarHBondContact OE2-CD 3.48Å; E253-K256 WeakPolarHBondContact OE2-CE 3.26Å; E253-K256 IonicContact OE2-NZ 2.73Å; E253-K256 PolarHBondContact OE2-NZ 2.91Å; D254-K256 VanDerWaalsContact C-N 3.26Å; D254-K256 PolarHBondContact O-N 3.25Å; K256-S258 VanDerWaalsContact C-N 3.27Å; K256-S258 PolarHBondContact O-N 3.2Å; K256-E259 PolarHBondContact O-N 2.83Å; K256-E259 VanDerWaalsContact O-N 3.16Å; K256-A260 WeakPolarHBondContact O-CB 3.14Å; K256-A260 PolarHBondContact O-N 2.62Å
257	F	91.4	Very high	92	Very high	47 Å²	47	59.6 Å²	59.6	21%	0.206	31%	0.312	C	S	.	.	H	α-helix	trans	-54.3	-39.8	-173.2	-173.8	-106.8	0	0	0	113.5	L251 E253 D254 A260 T261 A288 H291	L251-F257 HydrophobicContact CD2-CD2 4.36Å; L251-F257 HydrophobicContact CD2-CE2 4.13Å; E253-F257 PolarHBondContact O-N 3.3Å; D254-F257 PolarHBondContact O-N 3.15Å; F257-A260 PolarHBondContact O-N 3.44Å; F257-T261 VanDerWaalsContact O-CB 3.26Å; F257-T261 WeakPolarHBondContact O-CB 3.37Å; F257-T261 PolarHBondContact O-N 2.69Å; F257-T261 PolarHBondContact O-OG1 3.07Å; F257-A288 HydrophobicContact CE2-CB 4.17Å; F257-A288 HydrophobicContact CZ-CB 4.15Å; F257-H291 HydrophobicContact CD2-CB 4.49Å; F257-H291 AromaticContact CD2-CD2 3.52Å; F257-H291 AromaticContact CD2-CE1 3.76Å; F257-H291 AromaticContact CD2-CG 3.7Å; F257-H291 AromaticContact CD2-ND1 3.84Å; F257-H291 AromaticContact CD2-NE2 3.59Å; F257-H291 HydrophobicContact CE1-CB 4.22Å; F257-H291 HydrophobicContact CE2-CB 3.99Å; F257-H291 AromaticContact CE2-CD2 3.31Å; F257-H291 WeakPolarHBondContact CE2-CD2 3.45Å; F257-H291 AromaticContact CE2-CG 3.55Å; F257-H291 AromaticContact CE2-NE2 3.87Å; F257-H291 HydrophobicContact CZ-CB 3.83Å; F257-H291 AromaticContact CZ-CG 3.91Å
258	S	89.6	Confident	92	Very high	103 Å²	103	62.7 Å²	62.7	72%	0.72	33%	0.328	S	S	*	.	H	α-helix	trans	-65.8	-47.8	178.5	-175.2	0	0	0	0	112.7	K256 A260 T261 A262	K256-S258 VanDerWaalsContact C-N 3.27Å; K256-S258 PolarHBondContact O-N 3.2Å; S258-A260 VanDerWaalsContact C-N 3.35Å; S258-A260 PolarHBondContact O-N 3.2Å; S258-T261 PolarHBondContact O-N 3.32Å; S258-A262 PolarHBondContact O-N 3.31Å; S258-A262 VanDerWaalsContact O-N 3.07Å
259	E	90	Very high	92	Very high	105 Å²	105	67.8 Å²	67.8	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-45.7	174.8	-175.1	-160.9	126.9	0	0	110.7	K250 K256 T261 A262 V263	K250-E259 IonicContact NZ-OE1 2.84Å; K250-E259 PolarHBondContact NZ-OE1 3.49Å; K256-E259 PolarHBondContact O-N 2.83Å; K256-E259 VanDerWaalsContact O-N 3.16Å; E259-T261 PolarHBondContact O-N 3.26Å; E259-A262 PolarHBondContact O-N 3.44Å; E259-V263 PolarHBondContact O-N 2.86Å; E259-V263 VanDerWaalsContact O-N 3.15Å
260	A	92.8	Very high	91.8	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-65.9	-40	-178.1	0	0	0	0	0	112.4	L247 K250 L251 K256 F257 S258 V263 L264	L247-A260 HydrophobicContact CD1-CB 3.84Å; K250-A260 HydrophobicContact CB-CB 3.75Å; L251-A260 HydrophobicContact CD2-CB 3.72Å; L251-A260 HydrophobicContact CG-CB 3.88Å; K256-A260 WeakPolarHBondContact O-CB 3.14Å; K256-A260 PolarHBondContact O-N 2.62Å; F257-A260 PolarHBondContact O-N 3.44Å; S258-A260 VanDerWaalsContact C-N 3.35Å; S258-A260 PolarHBondContact O-N 3.2Å; A260-V263 PolarHBondContact O-N 3.5Å; A260-L264 WeakPolarHBondContact O-CB 3.23Å; A260-L264 PolarHBondContact O-N 2.94Å
261	T	93	Very high	91.8	Very high	49 Å²	49	67 Å²	67	30%	0.301	36%	0.359	S	S	.	.	H	α-helix	trans	-66.6	-37.8	176.2	-58.5	0	0	0	0	111.4	F257 S258 E259 V263 L264 F265	F257-T261 VanDerWaalsContact O-CB 3.26Å; F257-T261 WeakPolarHBondContact O-CB 3.37Å; F257-T261 PolarHBondContact O-N 2.69Å; F257-T261 PolarHBondContact O-OG1 3.07Å; S258-T261 PolarHBondContact O-N 3.32Å; E259-T261 PolarHBondContact O-N 3.26Å; T261-V263 PolarHBondContact O-N 3.48Å; T261-L264 PolarHBondContact O-N 3.48Å; T261-F265 VanDerWaalsContact O-CB 3.32Å; T261-F265 WeakPolarHBondContact O-CB 3.46Å; T261-F265 PolarHBondContact O-N 2.71Å
262	A	91.7	Very high	91.8	Very high	55 Å²	55	69.7 Å²	69.7	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-63.2	-40.1	175.3	0	0	0	0	0	112.6	S258 E259 T266	S258-A262 PolarHBondContact O-N 3.31Å; S258-A262 VanDerWaalsContact O-N 3.07Å; E259-A262 PolarHBondContact O-N 3.44Å; A262-T266 WeakPolarHBondContact O-CB 3.5Å; A262-T266 PolarHBondContact O-N 3.36Å; A262-T266 PolarHBondContact O-OG1 2.99Å
263	V	92.9	Very high	92	Very high	32 Å²	32	67.5 Å²	67.5	19%	0.194	37%	0.367	C	S	.	.	H	α-helix	trans	-67.7	-45	174.1	177.8	0	0	0	0	111	L247 E259 A260 T261 F265 T266 W267	L247-V263 HydrophobicContact CD1-CB 3.91Å; L247-V263 HydrophobicContact CD1-CG1 4.05Å; L247-V263 HydrophobicContact CD2-CB 4.26Å; L247-V263 HydrophobicContact CD2-CG1 3.89Å; E259-V263 PolarHBondContact O-N 2.86Å; E259-V263 VanDerWaalsContact O-N 3.15Å; A260-V263 PolarHBondContact O-N 3.5Å; T261-V263 PolarHBondContact O-N 3.48Å; V263-F265 PolarHBondContact O-N 2.87Å; V263-T266 PolarHBondContact O-N 2.86Å; V263-W267 HydrophobicContact CG1-CD2 4.2Å; V263-W267 HydrophobicContact CG1-CH2 4.4Å; V263-W267 HydrophobicContact CG1-CZ2 3.81Å; V263-W267 PolarHBondContact O-N 3.33Å
264	L	94.4	Very high	92.2	Very high	8 Å²	8	67.4 Å²	67.4	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-58.6	-47.3	177.7	-179.4	64.4	0	0	0	111.5	L247 L251 A260 T261 T266 W267 I268 F281 M284 I285	L247-L264 HydrophobicContact CD2-CB 4.06Å; L247-L264 HydrophobicContact CD2-CD1 4.45Å; L251-L264 HydrophobicContact CD1-CD2 3.9Å; L251-L264 HydrophobicContact CD2-CD2 4.42Å; A260-L264 WeakPolarHBondContact O-CB 3.23Å; A260-L264 PolarHBondContact O-N 2.94Å; T261-L264 PolarHBondContact O-N 3.48Å; L264-T266 VanDerWaalsContact C-N 3.35Å; L264-T266 PolarHBondContact O-N 3.24Å; L264-W267 PolarHBondContact O-N 2.85Å; L264-I268 HydrophobicContact CD1-CD1 4.22Å; L264-I268 HydrophobicContact CG-CD1 3.99Å; L264-I268 VanDerWaalsContact O-CG1 3.32Å; L264-I268 WeakPolarHBondContact O-CG1 3.47Å; L264-I268 PolarHBondContact O-N 3.11Å; L264-I268 VanDerWaalsContact O-N 3.07Å; L264-F281 HydrophobicContact CD1-CD1 3.76Å; L264-F281 HydrophobicContact CD1-CE1 4.01Å; L264-M284 HydrophobicContact CD1-CB 3.87Å; L264-M284 HydrophobicContact CD1-CE 3.74Å; L264-M284 HydrophobicContact CD1-SD 4.03Å; L264-M284 HydrophobicContact CD2-CB 4.23Å; L264-I285 HydrophobicContact CD2-CG1 4.4Å
265	F	93.5	Very high	92.6	Very high	131 Å²	131	75.2 Å²	75.2	58%	0.575	39%	0.391	S	S	*	.	H	α-helix	trans	-56.7	-48.1	174.5	175.6	-92.5	0	0	0	111.3	T261 V263 W267 I268 D269	T261-F265 VanDerWaalsContact O-CB 3.32Å; T261-F265 WeakPolarHBondContact O-CB 3.46Å; T261-F265 PolarHBondContact O-N 2.71Å; V263-F265 PolarHBondContact O-N 2.87Å; F265-W267 VanDerWaalsContact C-N 3.28Å; F265-W267 PolarHBondContact O-N 3.21Å; F265-I268 PolarHBondContact O-N 2.82Å; F265-I268 VanDerWaalsContact O-N 3.09Å; F265-D269 HydrophobicContact CE1-CB 4.38Å; F265-D269 WeakPolarHBondContact O-CB 3.3Å; F265-D269 PolarHBondContact O-N 3.26Å
266	T	92.4	Very high	92.7	Very high	39 Å²	39	79.9 Å²	79.9	24%	0.239	40%	0.399	C	S	.	.	H	α-helix	trans	-62.8	-33.6	-178.6	-55.4	0	0	0	0	112.7	I236 A262 V263 L264 R270	I236-T266 HydrophobicContact CG2-CG2 3.54Å; A262-T266 WeakPolarHBondContact O-CB 3.5Å; A262-T266 PolarHBondContact O-N 3.36Å; A262-T266 PolarHBondContact O-OG1 2.99Å; V263-T266 PolarHBondContact O-N 2.86Å; L264-T266 VanDerWaalsContact C-N 3.35Å; L264-T266 PolarHBondContact O-N 3.24Å; T266-R270 WeakPolarHBondContact O-CB 3.39Å; T266-R270 WeakPolarHBondContact O-CD 3.43Å; T266-R270 WeakPolarHBondContact O-CG 3.46Å; T266-R270 PolarHBondContact O-N 3.33Å
267	W	94.4	Very high	92.9	Very high	2 Å²	2	76.9 Å²	76.9	1%	0.008	39%	0.387	C	S	.	.	H	α-helix	trans	-72.3	-36.9	173.5	-69.5	-7.3	0	0	0	113	V237 Y239 E243 A244 L247 V263 L264 F265 G271 E272 F281 M284	V237-W267 HydrophobicContact CG1-CZ2 4.1Å; V237-W267 PolarHBondContact O-NE1 3.03Å; Y239-W267 HydrophobicContact CD2-CD2 4.08Å; Y239-W267 AromaticContact CD2-CE3 3.72Å; Y239-W267 HydrophobicContact CD2-CE3 3.72Å; Y239-W267 HydrophobicContact CD2-CH2 4.44Å; Y239-W267 AromaticContact CD2-CZ3 3.91Å; Y239-W267 HydrophobicContact CD2-CZ3 3.91Å; Y239-W267 HydrophobicContact CE2-CE3 4.37Å; Y239-W267 HydrophobicContact CE2-CZ3 4.36Å; E243-W267 HydrophobicContact CB-CH2 3.88Å; E243-W267 HydrophobicContact CB-CZ2 4.02Å; A244-W267 HydrophobicContact CB-CH2 4.34Å; A244-W267 HydrophobicContact CB-CZ3 3.96Å; L247-W267 HydrophobicContact CB-CH2 4.15Å; L247-W267 HydrophobicContact CB-CZ3 4.17Å; L247-W267 HydrophobicContact CD2-CD2 4.41Å; L247-W267 HydrophobicContact CD2-CE3 3.69Å; L247-W267 HydrophobicContact CD2-CH2 3.76Å; L247-W267 HydrophobicContact CD2-CZ2 4.46Å; L247-W267 HydrophobicContact CD2-CZ3 3.32Å; L247-W267 HydrophobicContact CG-CZ3 4.38Å; V263-W267 HydrophobicContact CG1-CD2 4.2Å; V263-W267 HydrophobicContact CG1-CH2 4.4Å; V263-W267 HydrophobicContact CG1-CZ2 3.81Å; V263-W267 PolarHBondContact O-N 3.33Å; L264-W267 PolarHBondContact O-N 2.85Å; F265-W267 VanDerWaalsContact C-N 3.28Å; F265-W267 PolarHBondContact O-N 3.21Å; W267-G271 PolarHBondContact O-N 3.04Å; W267-E272 HydrophobicContact CB-CB 4.22Å; W267-E272 HydrophobicContact CB-CG 4.16Å; W267-E272 VanDerWaalsContact O-CB 3.3Å; W267-E272 WeakPolarHBondContact O-CB 3.26Å; W267-E272 WeakPolarHBondContact O-CG 3.38Å; W267-E272 PolarHBondContact O-N 3.37Å; W267-F281 HydrophobicContact CB-CE1 3.69Å; W267-F281 HydrophobicContact CB-CZ 3.83Å; W267-F281 AromaticContact CE3-CE1 3.98Å; W267-F281 HydrophobicContact CE3-CE1 3.98Å; W267-F281 AromaticContact CE3-CZ 3.97Å; W267-F281 HydrophobicContact CE3-CZ 3.97Å; W267-M284 HydrophobicContact CE3-CE 4.34Å; W267-M284 HydrophobicContact CZ3-CE 4.26Å; W267-M284 HydrophobicContact CZ3-SD 4.36Å
268	I	94.4	Very high	93	Very high	72 Å²	72	76.5 Å²	76.5	37%	0.369	39%	0.392	S	S	.	.	H	α-helix	trans	-66.1	-49.2	176.5	-66.9	166.6	0	0	0	110.3	L264 F265 R270 G271 V273 F281 I285	L264-I268 HydrophobicContact CD1-CD1 4.22Å; L264-I268 HydrophobicContact CG-CD1 3.99Å; L264-I268 VanDerWaalsContact O-CG1 3.32Å; L264-I268 WeakPolarHBondContact O-CG1 3.47Å; L264-I268 PolarHBondContact O-N 3.11Å; L264-I268 VanDerWaalsContact O-N 3.07Å; F265-I268 PolarHBondContact O-N 2.82Å; F265-I268 VanDerWaalsContact O-N 3.09Å; I268-R270 VanDerWaalsContact C-N 3.25Å; I268-R270 PolarHBondContact O-N 2.96Å; I268-G271 PolarHBondContact O-N 3.35Å; I268-V273 HydrophobicContact CB-CG2 4.34Å; I268-V273 HydrophobicContact CG1-CG2 3.83Å; I268-V273 HydrophobicContact CG2-CG2 4.46Å; I268-F281 HydrophobicContact CG1-CD1 3.98Å; I268-F281 HydrophobicContact CG1-CE1 4.15Å; I268-I285 HydrophobicContact CD1-CD1 4.29Å
269	D	93.5	Very high	93.3	Very high	127 Å²	127	77.8 Å²	77.8	68%	0.679	39%	0.391	S	S	*	.	H	α-helix	trans	-59.9	-33.9	179.2	-172.5	61.3	0	0	0	112.7	F265 G271	F265-D269 HydrophobicContact CE1-CB 4.38Å; F265-D269 WeakPolarHBondContact O-CB 3.3Å; F265-D269 PolarHBondContact O-N 3.26Å; D269-G271 VanDerWaalsContact C-N 3.28Å; D269-G271 PolarHBondContact O-N 3.46Å
270	R	90.5	Very high	93.5	Very high	110 Å²	110	76.8 Å²	76.8	42%	0.415	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.7	174.8	-75.4	174.4	170.3	-167.8	-6.6	115.2	I236 T266 I268 E272	I236-R270 VanDerWaalsContact CG2-NH1 3.26Å; T266-R270 WeakPolarHBondContact O-CB 3.39Å; T266-R270 WeakPolarHBondContact O-CD 3.43Å; T266-R270 WeakPolarHBondContact O-CG 3.46Å; T266-R270 PolarHBondContact O-N 3.33Å; I268-R270 VanDerWaalsContact C-N 3.25Å; I268-R270 PolarHBondContact O-N 2.96Å; R270-E272 HydrophobicContact CB-CG 4.31Å
271	G	92	Very high	93.6	Very high	50 Å²	50	76.9 Å²	76.9	52%	0.515	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	23.2	-178.7	0	0	0	0	0	114.8	W267 I268 D269 V273	W267-G271 PolarHBondContact O-N 3.04Å; I268-G271 PolarHBondContact O-N 3.35Å; D269-G271 VanDerWaalsContact C-N 3.28Å; D269-G271 PolarHBondContact O-N 3.46Å; G271-V273 PolarHBondContact O-N 3.39Å
272	E	93.6	Very high	93.8	Very high	55 Å²	55	81 Å²	81	26%	0.257	40%	0.398	S	S	.	.			trans	-66.3	-16.8	173.9	-58.6	-70.8	-177.5	0	0	111.9	Y239 W267 R270 N274 T277 F281	Y239-E272 HydrophobicContact CD2-CB 4.49Å; Y239-E272 HydrophobicContact CG-CB 4.17Å; Y239-E272 HydrophobicContact CG-CG 4.43Å; W267-E272 HydrophobicContact CB-CB 4.22Å; W267-E272 HydrophobicContact CB-CG 4.16Å; W267-E272 VanDerWaalsContact O-CB 3.3Å; W267-E272 WeakPolarHBondContact O-CB 3.26Å; W267-E272 WeakPolarHBondContact O-CG 3.38Å; W267-E272 PolarHBondContact O-N 3.37Å; R270-E272 HydrophobicContact CB-CG 4.31Å; E272-N274 PolarHBondContact O-N 3.26Å; E272-N274 PolarHBondContact O-ND2 3.47Å; E272-N274 VanDerWaalsContact O-ND2 3.17Å; E272-T277 PolarHBondContact O-OG1 3.04Å; E272-F281 HydrophobicContact CB-CE2 4.19Å; E272-F281 HydrophobicContact CB-CZ 3.79Å
273	V	95.6	Very high	94	Very high	65 Å²	65	81.3 Å²	81.3	39%	0.394	40%	0.396	S	S	.	.			trans	-74.7	107.9	171.5	-171	0	0	0	0	110.1	I268 G271 F281	I268-V273 HydrophobicContact CB-CG2 4.34Å; I268-V273 HydrophobicContact CG1-CG2 3.83Å; I268-V273 HydrophobicContact CG2-CG2 4.46Å; G271-V273 PolarHBondContact O-N 3.39Å; V273-F281 HydrophobicContact CB-CD2 4.49Å; V273-F281 HydrophobicContact CG2-CB 4.16Å; V273-F281 HydrophobicContact CG2-CD1 3.74Å; V273-F281 HydrophobicContact CG2-CD2 3.95Å; V273-F281 HydrophobicContact CG2-CE1 4.06Å; V273-F281 HydrophobicContact CG2-CE2 4.26Å; V273-F281 HydrophobicContact CG2-CG 3.68Å; V273-F281 HydrophobicContact CG2-CZ 4.32Å
274	N	94	Very high	94.1	Very high	70 Å²	70	79.9 Å²	79.9	37%	0.374	39%	0.388	S	S	.	.			trans	-139.2	174.2	177.7	66.3	69	0	0	0	110.6	E272 R276 T277 A278	E272-N274 PolarHBondContact O-N 3.26Å; E272-N274 PolarHBondContact O-ND2 3.47Å; E272-N274 VanDerWaalsContact O-ND2 3.17Å; N274-R276 PolarHBondContact O-N 3.32Å; N274-R276 WeakPolarHBondContact OD1-CB 3.31Å; N274-R276 PolarHBondContact OD1-N 2.85Å; N274-T277 PolarHBondContact N-OG1 3.03Å; N274-T277 PolarHBondContact ND2-OG1 3Å; N274-T277 PolarHBondContact O-N 3.18Å; N274-T277 PolarHBondContact O-OG1 3.48Å; N274-T277 PolarHBondContact OD1-N 2.86Å; N274-A278 WeakPolarHBondContact O-CB 3.48Å; N274-A278 PolarHBondContact O-N 2.98Å
275	R	94.9	Very high	94.1	Very high	250 Å²	250	83.3 Å²	83.3	94%	0.943	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-19.1	-177.2	-76.3	-176.4	63.9	95.8	1.1	115.5
276	R	92.4	Very high	94.2	Very high	232 Å²	232	81.4 Å²	81.4	88%	0.875	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-33.7	176.3	-56	-175.8	-178	-163.4	1.3	112.6	N274	N274-R276 PolarHBondContact O-N 3.32Å; N274-R276 WeakPolarHBondContact OD1-CB 3.31Å; N274-R276 PolarHBondContact OD1-N 2.85Å
277	T	93.1	Very high	94.2	Very high	13 Å²	13	80.9 Å²	80.9	8%	0.08	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-16	-174.6	59.2	0	0	0	0	113.5	Y239 E272 N274 N279 H280 F281	Y239-T277 HydrophobicContact CD1-CG2 4.46Å; Y239-T277 HydrophobicContact CE1-CG2 3.49Å; Y239-T277 VanDerWaalsContact CE1-CG2 3.49Å; Y239-T277 WeakPolarHBondContact OH-CG2 3.47Å; E272-T277 PolarHBondContact O-OG1 3.04Å; N274-T277 PolarHBondContact N-OG1 3.03Å; N274-T277 PolarHBondContact ND2-OG1 3Å; N274-T277 PolarHBondContact O-N 3.18Å; N274-T277 PolarHBondContact O-OG1 3.48Å; N274-T277 PolarHBondContact OD1-N 2.86Å; T277-N279 VanDerWaalsContact C-N 3.26Å; T277-N279 PolarHBondContact O-N 3.27Å; T277-N279 VanDerWaalsContact O-N 3.1Å; T277-H280 WeakPolarHBondContact O-CB 3.41Å; T277-H280 PolarHBondContact O-N 2.89Å; T277-F281 PolarHBondContact O-N 2.86Å
278	A	94.8	Very high	94.2	Very high	38 Å²	38	81.7 Å²	81.7	31%	0.314	40%	0.403	S	S	.	.	H	α-helix	trans	-50.9	-38.6	-173.2	0	0	0	0	0	114.3	N274 F281 Y282	N274-A278 WeakPolarHBondContact O-CB 3.48Å; N274-A278 PolarHBondContact O-N 2.98Å; A278-F281 PolarHBondContact O-N 2.77Å; A278-Y282 VanDerWaalsContact O-CB 3.29Å; A278-Y282 WeakPolarHBondContact O-CB 3.2Å; A278-Y282 PolarHBondContact O-N 3.46Å
279	N	94.6	Very high	94.1	Very high	130 Å²	130	81.9 Å²	81.9	70%	0.695	41%	0.405	S	S	*	.	H	α-helix	trans	-65.5	-38.5	177.7	-69.2	-15.5	0	0	0	112.5	T277 Y282 S283	T277-N279 VanDerWaalsContact C-N 3.26Å; T277-N279 PolarHBondContact O-N 3.27Å; T277-N279 VanDerWaalsContact O-N 3.1Å; N279-Y282 PolarHBondContact O-N 3.23Å; N279-S283 PolarHBondContact O-N 2.97Å; N279-S283 PolarHBondContact O-OG 3.09Å
280	H	94.2	Very high	94	Very high	85 Å²	85	79.1 Å²	79.1	39%	0.394	40%	0.395	S	S	.	.	H	α-helix	trans	-66.6	-44.1	176.3	-61.2	143.5	0	0	0	111.2	T277 S283 M284	T277-H280 WeakPolarHBondContact O-CB 3.41Å; T277-H280 PolarHBondContact O-N 2.89Å; H280-S283 PolarHBondContact O-N 2.8Å; H280-M284 WeakPolarHBondContact O-CG 3.3Å; H280-M284 PolarHBondContact O-N 3.36Å
281	F	96.4	Very high	94	Very high	1 Å²	1	74.4 Å²	74.4	0%	0.004	38%	0.378	C	S	.	.	H	α-helix	trans	-65.2	-39.9	175.4	-79.2	-85.4	0	0	0	112.5	Y239 L264 W267 I268 E272 V273 T277 A278 S283 M284 I285	Y239-F281 AromaticContact CD2-CE2 3.82Å; Y239-F281 HydrophobicContact CD2-CE2 3.82Å; Y239-F281 AromaticContact CD2-CZ 3.62Å; Y239-F281 HydrophobicContact CD2-CZ 3.62Å; Y239-F281 HydrophobicContact CE2-CD2 4.39Å; Y239-F281 AromaticContact CE2-CE2 3.42Å; Y239-F281 HydrophobicContact CE2-CE2 3.42Å; Y239-F281 VanDerWaalsContact CE2-CE2 3.42Å; Y239-F281 AromaticContact CE2-CZ 3.65Å; Y239-F281 HydrophobicContact CE2-CZ 3.65Å; Y239-F281 AromaticContact CZ-CE2 3.98Å; L264-F281 HydrophobicContact CD1-CD1 3.76Å; L264-F281 HydrophobicContact CD1-CE1 4.01Å; W267-F281 HydrophobicContact CB-CE1 3.69Å; W267-F281 HydrophobicContact CB-CZ 3.83Å; W267-F281 AromaticContact CE3-CE1 3.98Å; W267-F281 HydrophobicContact CE3-CE1 3.98Å; W267-F281 AromaticContact CE3-CZ 3.97Å; W267-F281 HydrophobicContact CE3-CZ 3.97Å; I268-F281 HydrophobicContact CG1-CD1 3.98Å; I268-F281 HydrophobicContact CG1-CE1 4.15Å; E272-F281 HydrophobicContact CB-CE2 4.19Å; E272-F281 HydrophobicContact CB-CZ 3.79Å; V273-F281 HydrophobicContact CB-CD2 4.49Å; V273-F281 HydrophobicContact CG2-CB 4.16Å; V273-F281 HydrophobicContact CG2-CD1 3.74Å; V273-F281 HydrophobicContact CG2-CD2 3.95Å; V273-F281 HydrophobicContact CG2-CE1 4.06Å; V273-F281 HydrophobicContact CG2-CE2 4.26Å; V273-F281 HydrophobicContact CG2-CG 3.68Å; V273-F281 HydrophobicContact CG2-CZ 4.32Å; T277-F281 PolarHBondContact O-N 2.86Å; A278-F281 PolarHBondContact O-N 2.77Å; F281-S283 PolarHBondContact O-N 3.45Å; F281-M284 HydrophobicContact CB-CE 4.46Å; F281-M284 HydrophobicContact CD1-CE 3.64Å; F281-M284 HydrophobicContact CD2-CE 4.39Å; F281-M284 HydrophobicContact CE1-CE 3.87Å; F281-M284 HydrophobicContact CG-CE 3.91Å; F281-M284 HydrophobicContact CZ-CE 4.34Å; F281-M284 PolarHBondContact O-N 3.22Å; F281-I285 WeakPolarHBondContact O-CB 3.42Å; F281-I285 WeakPolarHBondContact O-CD1 3.39Å; F281-I285 VanDerWaalsContact O-CG1 3.23Å; F281-I285 WeakPolarHBondContact O-CG1 3.33Å; F281-I285 PolarHBondContact O-N 3.12Å
282	Y	96.2	Very high	94	Very high	137 Å²	137	75.9 Å²	75.9	54%	0.537	38%	0.377	S	S	.	.	H	α-helix	trans	-59.2	-46.3	174.2	179.5	-105.5	0	0	0	111.6	A278 N279 M284 I285 Q286	A278-Y282 VanDerWaalsContact O-CB 3.29Å; A278-Y282 WeakPolarHBondContact O-CB 3.2Å; A278-Y282 PolarHBondContact O-N 3.46Å; N279-Y282 PolarHBondContact O-N 3.23Å; Y282-M284 PolarHBondContact O-N 2.97Å; Y282-I285 PolarHBondContact O-N 3.11Å; Y282-Q286 HydrophobicContact CD1-CG 4.29Å; Y282-Q286 HydrophobicContact CE1-CG 3.92Å; Y282-Q286 HydrophobicContact CE2-CG 4.35Å; Y282-Q286 VanDerWaalsContact CZ-NE2 3.35Å; Y282-Q286 WeakPolarHBondContact O-CG 3.44Å; Y282-Q286 PolarHBondContact O-N 2.84Å; Y282-Q286 PolarHBondContact OH-NE2 3.18Å; Y282-Q286 VanDerWaalsContact OH-NE2 3.11Å
283	S	95.8	Very high	93.7	Very high	60 Å²	60	80.4 Å²	80.4	42%	0.42	39%	0.392	S	S	.	.	H	α-helix	trans	-61.3	-41.2	174.7	-62.1	0	0	0	0	112.8	N279 H280 F281 Q286 S287	N279-S283 PolarHBondContact O-N 2.97Å; N279-S283 PolarHBondContact O-OG 3.09Å; H280-S283 PolarHBondContact O-N 2.8Å; F281-S283 PolarHBondContact O-N 3.45Å; S283-Q286 WeakPolarHBondContact O-CB 3.12Å; S283-Q286 PolarHBondContact O-N 3.26Å; S283-S287 PolarHBondContact O-N 3.47Å; S283-S287 PolarHBondContact O-OG 3.14Å
284	M	95.8	Very high	93.4	Very high	3 Å²	3	80.7 Å²	80.7	2%	0.015	39%	0.386	C	S	.	.	H	α-helix	trans	-63.8	-40	174.9	-72.9	-172.3	-66.3	0	0	112.3	A244 L247 A248 L251 L264 W267 H280 F281 Y282 S287 A288	A244-M284 HydrophobicContact CB-CE 4.45Å; L247-M284 HydrophobicContact CB-SD 4.17Å; L247-M284 HydrophobicContact CD2-SD 3.96Å; L247-M284 HydrophobicContact CG-SD 4.26Å; A248-M284 HydrophobicContact CB-CG 3.92Å; L251-M284 HydrophobicContact CD1-CB 3.66Å; L251-M284 HydrophobicContact CD1-CG 3.91Å; L251-M284 HydrophobicContact CD1-SD 4.25Å; L264-M284 HydrophobicContact CD1-CB 3.87Å; L264-M284 HydrophobicContact CD1-CE 3.74Å; L264-M284 HydrophobicContact CD1-SD 4.03Å; L264-M284 HydrophobicContact CD2-CB 4.23Å; W267-M284 HydrophobicContact CE3-CE 4.34Å; W267-M284 HydrophobicContact CZ3-CE 4.26Å; W267-M284 HydrophobicContact CZ3-SD 4.36Å; H280-M284 WeakPolarHBondContact O-CG 3.3Å; H280-M284 PolarHBondContact O-N 3.36Å; F281-M284 HydrophobicContact CB-CE 4.46Å; F281-M284 HydrophobicContact CD1-CE 3.64Å; F281-M284 HydrophobicContact CD2-CE 4.39Å; F281-M284 HydrophobicContact CE1-CE 3.87Å; F281-M284 HydrophobicContact CG-CE 3.91Å; F281-M284 HydrophobicContact CZ-CE 4.34Å; F281-M284 PolarHBondContact O-N 3.22Å; Y282-M284 PolarHBondContact O-N 2.97Å; M284-S287 WeakPolarHBondContact O-CB 3.25Å; M284-S287 PolarHBondContact O-N 3.04Å; M284-A288 PolarHBondContact O-N 2.84Å
285	I	95	Very high	93.2	Very high	80 Å²	80	81.7 Å²	81.7	41%	0.41	39%	0.391	S	S	.	.	H	α-helix	trans	-67.4	-36.1	174.6	-67.7	162.9	0	0	0	111	L264 I268 F281 Y282 A288 N289	L264-I285 HydrophobicContact CD2-CG1 4.4Å; I268-I285 HydrophobicContact CD1-CD1 4.29Å; F281-I285 WeakPolarHBondContact O-CB 3.42Å; F281-I285 WeakPolarHBondContact O-CD1 3.39Å; F281-I285 VanDerWaalsContact O-CG1 3.23Å; F281-I285 WeakPolarHBondContact O-CG1 3.33Å; F281-I285 PolarHBondContact O-N 3.12Å; Y282-I285 PolarHBondContact O-N 3.11Å; I285-A288 PolarHBondContact O-N 3.12Å; I285-N289 WeakPolarHBondContact O-CB 3.32Å; I285-N289 PolarHBondContact O-N 3.39Å
286	Q	94.8	Very high	93.1	Very high	91 Å²	91	75.4 Å²	75.4	43%	0.425	37%	0.373	S	S	.	.	H	α-helix	trans	-63.8	-41.8	172.5	-75.6	-174.8	-40.9	0	0	112	Y282 S283 N289 S290	Y282-Q286 HydrophobicContact CD1-CG 4.29Å; Y282-Q286 HydrophobicContact CE1-CG 3.92Å; Y282-Q286 HydrophobicContact CE2-CG 4.35Å; Y282-Q286 VanDerWaalsContact CZ-NE2 3.35Å; Y282-Q286 WeakPolarHBondContact O-CG 3.44Å; Y282-Q286 PolarHBondContact O-N 2.84Å; Y282-Q286 PolarHBondContact OH-NE2 3.18Å; Y282-Q286 VanDerWaalsContact OH-NE2 3.11Å; S283-Q286 WeakPolarHBondContact O-CB 3.12Å; S283-Q286 PolarHBondContact O-N 3.26Å; Q286-N289 PolarHBondContact O-N 3.04Å; Q286-S290 PolarHBondContact O-N 3.46Å
287	S	93	Very high	93.2	Very high	27 Å²	27	68 Å²	68	19%	0.189	36%	0.357	C	S	.	.	H	α-helix	trans	-59.4	-48.8	172.1	-64.3	0	0	0	0	110.9	S283 M284 N289 S290 H291	S283-S287 PolarHBondContact O-N 3.47Å; S283-S287 PolarHBondContact O-OG 3.14Å; M284-S287 WeakPolarHBondContact O-CB 3.25Å; M284-S287 PolarHBondContact O-N 3.04Å; S287-N289 VanDerWaalsContact C-N 3.34Å; S287-N289 PolarHBondContact O-N 3.47Å; S287-S290 WeakPolarHBondContact O-CA 3.41Å; S287-S290 WeakPolarHBondContact O-CB 3.26Å; S287-S290 PolarHBondContact O-N 2.9Å; S287-H291 PolarHBondContact O-CD2 3.11Å
288	A	94.1	Very high	93.1	Very high	20 Å²	20	70.8 Å²	70.8	17%	0.165	37%	0.369	C	S	.	.	H	α-helix	trans	-58.7	-41.2	176	0	0	0	0	0	113.4	F257 M284 I285 S290 H291	F257-A288 HydrophobicContact CE2-CB 4.17Å; F257-A288 HydrophobicContact CZ-CB 4.15Å; M284-A288 PolarHBondContact O-N 2.84Å; I285-A288 PolarHBondContact O-N 3.12Å; A288-S290 PolarHBondContact O-N 3.02Å; A288-H291 WeakPolarHBondContact O-CB 3.33Å; A288-H291 PolarHBondContact O-N 3.39Å; A288-H291 VanDerWaalsContact O-N 3.13Å
289	N	91.8	Very high	93.1	Very high	76 Å²	76	73.9 Å²	73.9	41%	0.406	38%	0.375	S	S	.	.	H	α-helix	trans	-67.4	-20.5	175	-169	24.4	0	0	0	113.1	I285 Q286 S287 H291 V292 R293	I285-N289 WeakPolarHBondContact O-CB 3.32Å; I285-N289 PolarHBondContact O-N 3.39Å; Q286-N289 PolarHBondContact O-N 3.04Å; S287-N289 VanDerWaalsContact C-N 3.34Å; S287-N289 PolarHBondContact O-N 3.47Å; N289-H291 VanDerWaalsContact C-N 3.32Å; N289-V292 PolarHBondContact O-N 2.86Å; N289-R293 PolarHBondContact O-N 3.44Å
290	S	91.6	Very high	93.1	Very high	68 Å²	68	70.1 Å²	70.1	48%	0.476	36%	0.362	S	S	.	.	H	α-helix	trans	-67.7	-33.8	171.8	-158.8	0	0	0	0	112	Q286 S287 A288 V292 R293 R294	Q286-S290 PolarHBondContact O-N 3.46Å; S287-S290 WeakPolarHBondContact O-CA 3.41Å; S287-S290 WeakPolarHBondContact O-CB 3.26Å; S287-S290 PolarHBondContact O-N 2.9Å; A288-S290 PolarHBondContact O-N 3.02Å; S290-V292 VanDerWaalsContact C-N 3.34Å; S290-R293 PolarHBondContact O-N 2.84Å; S290-R294 PolarHBondContact O-N 3.45Å; S290-R294 VanDerWaalsContact O-N 3.09Å
291	H	90.6	Very high	93.2	Very high	11 Å²	11	71 Å²	71	5%	0.051	37%	0.37	C	S	.	.	H	α-helix	trans	-66.5	-35.5	174.7	-72.3	-96.1	0	0	0	111.8	L251 D254 F257 S287 A288 N289 R293 R294 L295	L251-H291 PolarHBondContact O-CD2 3.44Å; L251-H291 PolarHBondContact O-NE2 3.42Å; D254-H291 IonicContact OD1-CE1 3.42Å; D254-H291 PolarHBondContact OD1-CE1 2.79Å; D254-H291 IonicContact OD1-ND1 3.4Å; D254-H291 PolarHBondContact OD1-ND1 2.65Å; F257-H291 HydrophobicContact CD2-CB 4.49Å; F257-H291 AromaticContact CD2-CD2 3.52Å; F257-H291 AromaticContact CD2-CE1 3.76Å; F257-H291 AromaticContact CD2-CG 3.7Å; F257-H291 AromaticContact CD2-ND1 3.84Å; F257-H291 AromaticContact CD2-NE2 3.59Å; F257-H291 HydrophobicContact CE1-CB 4.22Å; F257-H291 HydrophobicContact CE2-CB 3.99Å; F257-H291 AromaticContact CE2-CD2 3.31Å; F257-H291 WeakPolarHBondContact CE2-CD2 3.45Å; F257-H291 AromaticContact CE2-CG 3.55Å; F257-H291 AromaticContact CE2-NE2 3.87Å; F257-H291 HydrophobicContact CZ-CB 3.83Å; F257-H291 AromaticContact CZ-CG 3.91Å; S287-H291 PolarHBondContact O-CD2 3.11Å; A288-H291 WeakPolarHBondContact O-CB 3.33Å; A288-H291 PolarHBondContact O-N 3.39Å; A288-H291 VanDerWaalsContact O-N 3.13Å; N289-H291 VanDerWaalsContact C-N 3.32Å; H291-R293 PolarHBondContact O-N 2.76Å; H291-R294 PolarHBondContact ND1-NH2 3.36Å; H291-R294 PolarHBondContact O-N 2.87Å; H291-L295 WeakPolarHBondContact O-CB 3.15Å; H291-L295 VanDerWaalsContact O-CG 3.22Å; H291-L295 WeakPolarHBondContact O-CG 3.35Å; H291-L295 PolarHBondContact O-N 3.43Å
292	V	90.8	Very high	93.1	Very high	81 Å²	81	76.6 Å²	76.6	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-58.3	-47.3	174.8	-178.9	0	0	0	0	111	N289 S290 L295 M296	N289-V292 PolarHBondContact O-N 2.86Å; S290-V292 VanDerWaalsContact C-N 3.34Å; V292-L295 PolarHBondContact O-N 3.48Å; V292-M296 WeakPolarHBondContact O-CG 3.43Å; V292-M296 PolarHBondContact O-N 3.43Å
293	R	88.9	Confident	92.9	Very high	150 Å²	150	74.2 Å²	74.2	57%	0.566	39%	0.389	S	S	*	.	H	α-helix	trans	-61.6	-44.8	175.4	-83.2	-177	-79	-94.2	-4.6	112.5	N289 S290 H291 M296 S297	N289-R293 PolarHBondContact O-N 3.44Å; S290-R293 PolarHBondContact O-N 2.84Å; H291-R293 PolarHBondContact O-N 2.76Å; R293-M296 PolarHBondContact O-N 2.97Å; R293-S297 PolarHBondContact O-N 3.33Å; R293-S297 VanDerWaalsContact O-N 3.09Å; R293-S297 PolarHBondContact O-OG 3.05Å
294	R	88.8	Confident	92.8	Very high	72 Å²	72	76 Å²	76	27%	0.272	39%	0.391	S	S	.	.	H	α-helix	trans	-58.6	-48.1	177.1	-171	-175	54.7	52	-1.1	111.3	D254 S290 H291 M296 S297 E298	D254-R294 IonicContact OD1-CZ 2.72Å; D254-R294 IonicContact OD1-NE 2.66Å; D254-R294 PolarHBondContact OD1-NE 2.87Å; D254-R294 IonicContact OD1-NH2 2.67Å; D254-R294 PolarHBondContact OD1-NH2 2.68Å; D254-R294 IonicContact OD2-CZ 2.89Å; D254-R294 IonicContact OD2-NE 2.64Å; D254-R294 PolarHBondContact OD2-NE 3.25Å; D254-R294 IonicContact OD2-NH2 2.71Å; D254-R294 PolarHBondContact OD2-NH2 3.35Å; S290-R294 PolarHBondContact O-N 3.45Å; S290-R294 VanDerWaalsContact O-N 3.09Å; H291-R294 PolarHBondContact ND1-NH2 3.36Å; H291-R294 PolarHBondContact O-N 2.87Å; R294-M296 PolarHBondContact O-N 3.44Å; R294-S297 PolarHBondContact O-N 3.26Å; R294-E298 WeakPolarHBondContact CD-OE1 3.33Å; R294-E298 WeakPolarHBondContact CG-OE1 3.28Å; R294-E298 IonicContact CZ-OE1 2.7Å; R294-E298 IonicContact CZ-OE2 3.67Å; R294-E298 IonicContact NE-OE1 3.89Å; R294-E298 IonicContact NH1-OE1 2.7Å; R294-E298 PolarHBondContact NH1-OE1 3.25Å; R294-E298 IonicContact NH1-OE2 3.83Å; R294-E298 PolarHBondContact NH1-OE2 3.41Å; R294-E298 PolarHBondContact O-N 3.44Å
295	L	90.8	Very high	92.8	Very high	91 Å²	91	81.7 Å²	81.7	48%	0.476	42%	0.417	S	S	.	.	H	α-helix	trans	-63.4	-37.2	179.5	-70.7	168.1	0	0	0	112.6	H291 V292 E298 K299	H291-L295 WeakPolarHBondContact O-CB 3.15Å; H291-L295 VanDerWaalsContact O-CG 3.22Å; H291-L295 WeakPolarHBondContact O-CG 3.35Å; H291-L295 PolarHBondContact O-N 3.43Å; V292-L295 PolarHBondContact O-N 3.48Å; L295-E298 PolarHBondContact O-N 2.79Å; L295-K299 WeakPolarHBondContact O-CB 3.18Å; L295-K299 PolarHBondContact O-N 3.43Å
296	M	92.3	Very high	92.5	Very high	118 Å²	118	82.8 Å²	82.8	58%	0.581	42%	0.422	S	S	*	.	H	α-helix	trans	-66.6	-38.4	173.7	-70.4	-61.7	-67	0	0	112.3	V292 R293 R294 A300	V292-M296 WeakPolarHBondContact O-CG 3.43Å; V292-M296 PolarHBondContact O-N 3.43Å; R293-M296 PolarHBondContact O-N 2.97Å; R294-M296 PolarHBondContact O-N 3.44Å; M296-A300 PolarHBondContact O-N 3.04Å; M296-A300 VanDerWaalsContact O-N 3.09Å
297	S	93.4	Very high	92.3	Very high	75 Å²	75	82.1 Å²	82.1	52%	0.524	42%	0.419	S	S	.	.	H	α-helix	trans	-68.4	-38.6	173.3	-60.2	0	0	0	0	112.7	R293 R294 A300 L301	R293-S297 PolarHBondContact O-N 3.33Å; R293-S297 VanDerWaalsContact O-N 3.09Å; R293-S297 PolarHBondContact O-OG 3.05Å; R294-S297 PolarHBondContact O-N 3.26Å; S297-A300 PolarHBondContact O-N 2.99Å; S297-L301 WeakPolarHBondContact O-CG 3.15Å; S297-L301 PolarHBondContact O-N 2.85Å
298	E	92.4	Very high	92.3	Very high	72 Å²	72	86.8 Å²	86.8	34%	0.336	43%	0.433	S	S	.	.	H	α-helix	trans	-66.1	-39.9	174.3	-77.6	168.2	-163.5	0	0	112.3	R294 L295 L301 H302	R294-E298 WeakPolarHBondContact CD-OE1 3.33Å; R294-E298 WeakPolarHBondContact CG-OE1 3.28Å; R294-E298 IonicContact CZ-OE1 2.7Å; R294-E298 IonicContact CZ-OE2 3.67Å; R294-E298 IonicContact NE-OE1 3.89Å; R294-E298 IonicContact NH1-OE1 2.7Å; R294-E298 PolarHBondContact NH1-OE1 3.25Å; R294-E298 IonicContact NH1-OE2 3.83Å; R294-E298 PolarHBondContact NH1-OE2 3.41Å; R294-E298 PolarHBondContact O-N 3.44Å; L295-E298 PolarHBondContact O-N 2.79Å; E298-L301 PolarHBondContact O-N 3.24Å; E298-H302 PolarHBondContact O-CD2 2.9Å; E298-H302 PolarHBondContact O-N 2.81Å
299	K	93.1	Very high	92.2	Very high	103 Å²	103	88.6 Å²	88.6	45%	0.448	45%	0.447	S	S	.	.	H	α-helix	trans	-55.7	-52.9	171.3	-178.2	-173.5	173.9	-81.4	0	110.6	L295 L301 H302 E303	L295-K299 WeakPolarHBondContact O-CB 3.18Å; L295-K299 PolarHBondContact O-N 3.43Å; K299-L301 VanDerWaalsContact C-N 3.31Å; K299-L301 PolarHBondContact O-N 2.87Å; K299-H302 PolarHBondContact O-N 3.5Å; K299-H302 VanDerWaalsContact O-N 3.12Å; K299-E303 VanDerWaalsContact CE-OE1 3.31Å; K299-E303 WeakPolarHBondContact CE-OE1 3.46Å; K299-E303 IonicContact NZ-OE1 3.63Å; K299-E303 PolarHBondContact NZ-OE1 2.85Å; K299-E303 IonicContact NZ-OE2 3.62Å; K299-E303 PolarHBondContact NZ-OE2 3.41Å; K299-E303 WeakPolarHBondContact O-CG 3.28Å; K299-E303 PolarHBondContact O-N 3.49Å
300	A	95.1	Very high	92.1	Very high	51 Å²	51	87.2 Å²	87.2	42%	0.421	44%	0.438	S	S	.	.	H	α-helix	trans	-61	-37.6	180	0	0	0	0	0	112.9	M296 S297 E303 E304	M296-A300 PolarHBondContact O-N 3.04Å; M296-A300 VanDerWaalsContact O-N 3.09Å; S297-A300 PolarHBondContact O-N 2.99Å; A300-E303 PolarHBondContact O-N 3.06Å; A300-E304 WeakPolarHBondContact O-CB 3.49Å; A300-E304 PolarHBondContact O-N 3.1Å
301	L	95.9	Very high	92.1	Very high	104 Å²	104	87.8 Å²	87.8	55%	0.545	43%	0.433	S	S	.	.	H	α-helix	trans	-65.4	-39.9	174.3	-74.2	169.7	0	0	0	112.4	S297 E298 K299 E304 E305	S297-L301 WeakPolarHBondContact O-CG 3.15Å; S297-L301 PolarHBondContact O-N 2.85Å; E298-L301 PolarHBondContact O-N 3.24Å; K299-L301 VanDerWaalsContact C-N 3.31Å; K299-L301 PolarHBondContact O-N 2.87Å; L301-E304 PolarHBondContact O-N 2.79Å; L301-E305 WeakPolarHBondContact O-CB 3.21Å; L301-E305 PolarHBondContact O-N 2.71Å
302	H	94.4	Very high	92.3	Very high	119 Å²	119	93.1 Å²	93.1	55%	0.551	46%	0.46	S	S	*	.	H	α-helix	trans	-71.7	-32.5	176.2	-71.9	-45.9	0	0	0	113	E298 K299 E305 M306	E298-H302 PolarHBondContact O-CD2 2.9Å; E298-H302 PolarHBondContact O-N 2.81Å; K299-H302 PolarHBondContact O-N 3.5Å; K299-H302 VanDerWaalsContact O-N 3.12Å; H302-E305 IonicContact ND1-OE2 2.79Å; H302-E305 PolarHBondContact O-N 3.02Å; H302-M306 WeakPolarHBondContact O-CB 3.28Å; H302-M306 PolarHBondContact O-N 3.42Å
303	E	92.3	Very high	92.3	Very high	87 Å²	87	94.1 Å²	94.1	41%	0.407	46%	0.458	S	S	.	.	H	α-helix	trans	-64.8	-45.5	171.1	-70.9	172.3	142.4	0	0	110.6	K299 A300 E305 M306 E307	K299-E303 VanDerWaalsContact CE-OE1 3.31Å; K299-E303 WeakPolarHBondContact CE-OE1 3.46Å; K299-E303 IonicContact NZ-OE1 3.63Å; K299-E303 PolarHBondContact NZ-OE1 2.85Å; K299-E303 IonicContact NZ-OE2 3.62Å; K299-E303 PolarHBondContact NZ-OE2 3.41Å; K299-E303 WeakPolarHBondContact O-CG 3.28Å; K299-E303 PolarHBondContact O-N 3.49Å; A300-E303 PolarHBondContact O-N 3.06Å; E303-E305 VanDerWaalsContact C-N 3.33Å; E303-E305 PolarHBondContact O-N 2.94Å; E303-M306 WeakPolarHBondContact O-CB 3.5Å; E303-M306 PolarHBondContact O-N 3.42Å; E303-E307 PolarHBondContact O-N 3.42Å
304	E	94.8	Very high	92.4	Very high	97 Å²	97	88.3 Å²	88.3	45%	0.453	44%	0.437	S	S	.	.	H	α-helix	trans	-67.2	-30	175.7	-158.8	-152.8	-164.8	0	0	113.1	A300 L301 R308	A300-E304 WeakPolarHBondContact O-CB 3.49Å; A300-E304 PolarHBondContact O-N 3.1Å; L301-E304 PolarHBondContact O-N 2.79Å; E304-R308 WeakPolarHBondContact O-CG 3.26Å; E304-R308 PolarHBondContact O-N 3.42Å; E304-R308 PolarHBondContact O-NH1 3.05Å; E304-R308 VanDerWaalsContact O-NH1 3.09Å; E304-R308 IonicContact OE1-CZ 3.21Å; E304-R308 IonicContact OE1-NH1 3.98Å; E304-R308 IonicContact OE1-NH2 3.28Å; E304-R308 PolarHBondContact OE1-NH2 3.18Å; E304-R308 IonicContact OE2-CZ 3.6Å; E304-R308 IonicContact OE2-NH1 3.87Å; E304-R308 PolarHBondContact OE2-NH1 2.74Å; E304-R308 IonicContact OE2-NH2 2.71Å; E304-R308 PolarHBondContact OE2-NH2 3.16Å
305	E	94.3	Very high	92.6	Very high	122 Å²	122	88.8 Å²	88.8	57%	0.57	45%	0.445	S	S	*	.	H	α-helix	trans	-72.9	-39.8	172.8	-173.7	170.3	-144.3	0	0	111.8	L301 H302 E303 A309	L301-E305 WeakPolarHBondContact O-CB 3.21Å; L301-E305 PolarHBondContact O-N 2.71Å; H302-E305 IonicContact ND1-OE2 2.79Å; H302-E305 PolarHBondContact O-N 3.02Å; E303-E305 VanDerWaalsContact C-N 3.33Å; E303-E305 PolarHBondContact O-N 2.94Å; E305-A309 PolarHBondContact O-N 3.21Å
306	M	90.2	Very high	92.8	Very high	104 Å²	104	87 Å²	87	51%	0.512	44%	0.443	S	S	.	.	H	α-helix	trans	-60.3	-46.4	173.6	-170.6	-141.1	-52.6	0	0	111.2	H302 E303 A309 K310	H302-M306 WeakPolarHBondContact O-CB 3.28Å; H302-M306 PolarHBondContact O-N 3.42Å; E303-M306 WeakPolarHBondContact O-CB 3.5Å; E303-M306 PolarHBondContact O-N 3.42Å; M306-A309 WeakPolarHBondContact O-CA 3.09Å; M306-A309 WeakPolarHBondContact O-CB 3.37Å; M306-A309 PolarHBondContact O-N 3.42Å; M306-K310 PolarHBondContact O-N 3.18Å
307	E	89	Confident	92.7	Very high	76 Å²	76	81.7 Å²	81.7	36%	0.355	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-40.5	-177.4	-164	51.7	-126.5	0	0	111.7	E303 A309 K310 E311	E303-E307 PolarHBondContact O-N 3.42Å; E307-A309 VanDerWaalsContact C-N 3.26Å; E307-A309 PolarHBondContact O-N 3.45Å; E307-K310 PolarHBondContact O-N 3.3Å; E307-K310 VanDerWaalsContact OE2-CD 3.3Å; E307-K310 WeakPolarHBondContact OE2-CD 3.5Å; E307-K310 IonicContact OE2-NZ 3.69Å; E307-K310 PolarHBondContact OE2-NZ 3.13Å; E307-E311 PolarHBondContact O-N 3.44Å
308	R	93.9	Very high	92.7	Very high	126 Å²	126	82.2 Å²	82.2	48%	0.475	41%	0.412	S	S	.	.	H	α-helix	trans	-59.6	-37.2	169.6	-72.8	-175.6	-164.8	98.4	-12.6	112.4	E304 I312	E304-R308 WeakPolarHBondContact O-CG 3.26Å; E304-R308 PolarHBondContact O-N 3.42Å; E304-R308 PolarHBondContact O-NH1 3.05Å; E304-R308 VanDerWaalsContact O-NH1 3.09Å; E304-R308 IonicContact OE1-CZ 3.21Å; E304-R308 IonicContact OE1-NH1 3.98Å; E304-R308 IonicContact OE1-NH2 3.28Å; E304-R308 PolarHBondContact OE1-NH2 3.18Å; E304-R308 IonicContact OE2-CZ 3.6Å; E304-R308 IonicContact OE2-NH1 3.87Å; E304-R308 PolarHBondContact OE2-NH1 2.74Å; E304-R308 IonicContact OE2-NH2 2.71Å; E304-R308 PolarHBondContact OE2-NH2 3.16Å; R308-I312 WeakPolarHBondContact O-CB 3.33Å; R308-I312 WeakPolarHBondContact O-CD1 3.13Å; R308-I312 WeakPolarHBondContact O-CG1 3.24Å; R308-I312 PolarHBondContact O-N 2.93Å
309	A	91.9	Very high	92.8	Very high	57 Å²	57	80.9 Å²	80.9	47%	0.471	41%	0.414	S	S	.	.	H	α-helix	trans	-69.4	-41.7	178	0	0	0	0	0	112.2	E305 M306 E307 I312 F313	E305-A309 PolarHBondContact O-N 3.21Å; M306-A309 WeakPolarHBondContact O-CA 3.09Å; M306-A309 WeakPolarHBondContact O-CB 3.37Å; M306-A309 PolarHBondContact O-N 3.42Å; E307-A309 VanDerWaalsContact C-N 3.26Å; E307-A309 PolarHBondContact O-N 3.45Å; A309-I312 PolarHBondContact O-N 2.93Å; A309-F313 WeakPolarHBondContact O-CB 3.28Å; A309-F313 PolarHBondContact O-N 3.06Å
310	K	88.9	Confident	92.7	Very high	48 Å²	48	79.4 Å²	79.4	21%	0.209	41%	0.41	C	S	.	.	H	α-helix	trans	-55	-51.7	170.7	-75.1	178.5	180	172.9	0	110.6	M306 E307 I312 F313 K314 E379	M306-K310 PolarHBondContact O-N 3.18Å; E307-K310 PolarHBondContact O-N 3.3Å; E307-K310 VanDerWaalsContact OE2-CD 3.3Å; E307-K310 WeakPolarHBondContact OE2-CD 3.5Å; E307-K310 IonicContact OE2-NZ 3.69Å; E307-K310 PolarHBondContact OE2-NZ 3.13Å; K310-I312 PolarHBondContact O-N 2.96Å; K310-F313 WeakPolarHBondContact O-CB 3.19Å; K310-F313 PolarHBondContact O-N 3.36Å; K310-K314 VanDerWaalsContact O-CB 3.32Å; K310-K314 WeakPolarHBondContact O-CB 3.34Å; K310-K314 PolarHBondContact O-N 3.35Å; K310-E379 IonicContact NZ-OE1 2.82Å; K310-E379 IonicContact NZ-OE2 2.66Å; K310-E379 PolarHBondContact NZ-OE2 3.48Å; K310-E379 VanDerWaalsContact NZ-OE2 3.08Å
311	E	92.1	Very high	92.6	Very high	80 Å²	80	78.4 Å²	78.4	37%	0.374	40%	0.398	S	S	.	.	H	α-helix	trans	-64.9	-38.6	-178.3	-177.5	58.4	-152.8	0	0	112.5	E307 K314 N315	E307-E311 PolarHBondContact O-N 3.44Å; E311-K314 WeakPolarHBondContact OE2-CD 3.3Å; E311-K314 IonicContact OE2-NZ 2.95Å; E311-K314 PolarHBondContact OE2-NZ 3.19Å; E311-N315 WeakPolarHBondContact O-CB 3.21Å; E311-N315 PolarHBondContact O-N 2.67Å; E311-N315 PolarHBondContact O-ND2 2.95Å; E311-N315 PolarHBondContact OE1-ND2 3.4Å
312	I	94.3	Very high	92.5	Very high	123 Å²	123	78.4 Å²	78.4	63%	0.631	40%	0.396	S	S	*	.	H	α-helix	trans	-62.1	-44	173.1	-71.9	165	0	0	0	111.1	R308 A309 K310 N315 A316	R308-I312 WeakPolarHBondContact O-CB 3.33Å; R308-I312 WeakPolarHBondContact O-CD1 3.13Å; R308-I312 WeakPolarHBondContact O-CG1 3.24Å; R308-I312 PolarHBondContact O-N 2.93Å; A309-I312 PolarHBondContact O-N 2.93Å; K310-I312 PolarHBondContact O-N 2.96Å; I312-N315 PolarHBondContact O-N 2.89Å; I312-A316 PolarHBondContact O-N 3.25Å
313	F	91.6	Very high	92.5	Very high	101 Å²	101	78.1 Å²	78.1	44%	0.443	40%	0.395	S	S	.	.	H	α-helix	trans	-63.8	-48.2	178.3	176.6	-104.4	0	0	0	111.9	A309 K310 N315 A316 L317 E368 I372	A309-F313 WeakPolarHBondContact O-CB 3.28Å; A309-F313 PolarHBondContact O-N 3.06Å; K310-F313 WeakPolarHBondContact O-CB 3.19Å; K310-F313 PolarHBondContact O-N 3.36Å; F313-N315 VanDerWaalsContact C-N 3.34Å; F313-N315 PolarHBondContact O-N 3Å; F313-A316 WeakPolarHBondContact O-CB 3.18Å; F313-A316 PolarHBondContact O-N 3.11Å; F313-A316 VanDerWaalsContact O-N 3.11Å; F313-L317 HydrophobicContact CE1-CD2 4.05Å; F313-L317 HydrophobicContact CZ-CD2 4.3Å; F313-L317 WeakPolarHBondContact O-CB 3.36Å; F313-L317 PolarHBondContact O-N 3.27Å; F313-E368 WeakPolarHBondContact CZ-OE1 3.44Å; F313-I372 HydrophobicContact CD1-CD1 4.17Å; F313-I372 HydrophobicContact CE1-CD1 4.04Å
314	K	90.7	Very high	92.5	Very high	29 Å²	29	75.7 Å²	75.7	13%	0.126	38%	0.383	C	S	.	.	H	α-helix	trans	-54.9	-45.4	175.3	-178.5	-179.9	177.6	-176.1	0	112.2	K310 E311 L317 M318 I372 E376	K310-K314 VanDerWaalsContact O-CB 3.32Å; K310-K314 WeakPolarHBondContact O-CB 3.34Å; K310-K314 PolarHBondContact O-N 3.35Å; E311-K314 WeakPolarHBondContact OE2-CD 3.3Å; E311-K314 IonicContact OE2-NZ 2.95Å; E311-K314 PolarHBondContact OE2-NZ 3.19Å; K314-L317 PolarHBondContact O-N 3.36Å; K314-M318 WeakPolarHBondContact O-CG 3.17Å; K314-M318 PolarHBondContact O-N 2.89Å; K314-I372 HydrophobicContact CD-CG2 4.42Å; K314-E376 WeakPolarHBondContact CE-OE1 3.43Å; K314-E376 IonicContact NZ-OE1 3.85Å; K314-E376 PolarHBondContact NZ-OE1 3.48Å; K314-E376 IonicContact NZ-OE2 3.92Å; K314-E376 PolarHBondContact NZ-OE2 2.91Å
315	N	93.2	Very high	92.4	Very high	82 Å²	82	77.6 Å²	77.6	44%	0.439	39%	0.392	S	S	.	.	H	α-helix	trans	-64.4	-40.8	175.3	-80.6	-67.2	0	0	0	112.9	E311 I312 F313 M318 A319	E311-N315 WeakPolarHBondContact O-CB 3.21Å; E311-N315 PolarHBondContact O-N 2.67Å; E311-N315 PolarHBondContact O-ND2 2.95Å; E311-N315 PolarHBondContact OE1-ND2 3.4Å; I312-N315 PolarHBondContact O-N 2.89Å; F313-N315 VanDerWaalsContact C-N 3.34Å; F313-N315 PolarHBondContact O-N 3Å; N315-M318 PolarHBondContact O-N 3.08Å; N315-A319 PolarHBondContact O-N 3.02Å
316	A	94.4	Very high	92.4	Very high	53 Å²	53	77.1 Å²	77.1	44%	0.438	39%	0.39	S	S	.	.	H	α-helix	trans	-63.5	-41.8	175	0	0	0	0	0	111.8	I312 F313 A319 I320	I312-A316 PolarHBondContact O-N 3.25Å; F313-A316 WeakPolarHBondContact O-CB 3.18Å; F313-A316 PolarHBondContact O-N 3.11Å; F313-A316 VanDerWaalsContact O-N 3.11Å; A316-A319 WeakPolarHBondContact O-CB 3.37Å; A316-A319 PolarHBondContact O-N 2.64Å; A316-I320 WeakPolarHBondContact O-CG1 3.3Å; A316-I320 PolarHBondContact O-N 2.71Å
317	L	91.3	Very high	92.6	Very high	6 Å²	6	75.5 Å²	75.5	3%	0.031	38%	0.382	C	S	.	.	H	α-helix	trans	-67.4	-39.7	178.3	-169.7	56	0	0	0	112.1	F313 K314 A319 I320 L321 H365 E368 I369	F313-L317 HydrophobicContact CE1-CD2 4.05Å; F313-L317 HydrophobicContact CZ-CD2 4.3Å; F313-L317 WeakPolarHBondContact O-CB 3.36Å; F313-L317 PolarHBondContact O-N 3.27Å; K314-L317 PolarHBondContact O-N 3.36Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 3.05Å; L317-I320 PolarHBondContact O-N 2.83Å; L317-L321 PolarHBondContact O-N 3.47Å; L317-H365 HydrophobicContact CD1-CB 3.88Å; L317-E368 HydrophobicContact CD2-CB 4.06Å; L317-E368 HydrophobicContact CD2-CG 3.64Å; L317-I369 HydrophobicContact CB-CD1 4.21Å; L317-I369 HydrophobicContact CB-CG1 4.33Å; L317-I369 HydrophobicContact CD2-CD1 4.22Å; L317-I369 HydrophobicContact CD2-CG1 3.5Å; L317-I369 HydrophobicContact CG-CD1 3.88Å; L317-I369 HydrophobicContact CG-CG1 3.74Å
318	M	92.1	Very high	92.7	Very high	86 Å²	86	72.6 Å²	72.6	42%	0.424	37%	0.37	S	S	.	.	H	α-helix	trans	-60.4	-40.4	170.7	-74.8	-178.2	61.4	0	0	112.2	K314 N315 I320 L321 M322 I369	K314-M318 WeakPolarHBondContact O-CG 3.17Å; K314-M318 PolarHBondContact O-N 2.89Å; N315-M318 PolarHBondContact O-N 3.08Å; M318-I320 VanDerWaalsContact C-N 3.33Å; M318-I320 PolarHBondContact O-N 2.88Å; M318-L321 PolarHBondContact O-N 3.48Å; M318-M322 PolarHBondContact O-N 3.5Å; M318-I369 HydrophobicContact CB-CD1 4.44Å; M318-I369 HydrophobicContact CG-CD1 3.59Å
319	A	94.5	Very high	92.8	Very high	44 Å²	44	69.3 Å²	69.3	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-66.4	-33.9	176.3	0	0	0	0	0	112.7	N315 A316 L317 Q323	N315-A319 PolarHBondContact O-N 3.02Å; A316-A319 WeakPolarHBondContact O-CB 3.37Å; A316-A319 PolarHBondContact O-N 2.64Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 3.05Å; A319-Q323 PolarHBondContact O-N 3.38Å
320	I	92.9	Very high	92.9	Very high	72 Å²	72	72 Å²	72	37%	0.369	38%	0.375	S	S	.	.	H	α-helix	trans	-68	-46	173.2	-70.6	166.2	0	0	0	110.8	A316 L317 M318 M322 Q323 F324	A316-I320 WeakPolarHBondContact O-CG1 3.3Å; A316-I320 PolarHBondContact O-N 2.71Å; L317-I320 PolarHBondContact O-N 2.83Å; M318-I320 VanDerWaalsContact C-N 3.33Å; M318-I320 PolarHBondContact O-N 2.88Å; I320-M322 VanDerWaalsContact C-N 3.31Å; I320-M322 PolarHBondContact O-N 2.96Å; I320-Q323 WeakPolarHBondContact O-CB 3.4Å; I320-Q323 PolarHBondContact O-N 2.71Å; I320-Q323 VanDerWaalsContact O-N 3.07Å; I320-F324 HydrophobicContact CG2-CD2 3.72Å; I320-F324 HydrophobicContact CG2-CE2 3.5Å; I320-F324 VanDerWaalsContact CG2-CE2 3.5Å; I320-F324 WeakPolarHBondContact O-CD2 3.44Å; I320-F324 PolarHBondContact O-N 2.82Å
321	L	92	Very high	93.2	Very high	31 Å²	31	71.4 Å²	71.4	16%	0.162	37%	0.372	C	S	.	.	H	α-helix	trans	-58.8	-41	176.1	-78.4	-173.2	0	0	0	112.8	L317 M318 Q323 F324 E325 R362 H365 I369	L317-L321 PolarHBondContact O-N 3.47Å; M318-L321 PolarHBondContact O-N 3.48Å; L321-Q323 VanDerWaalsContact C-N 3.25Å; L321-Q323 PolarHBondContact O-N 3.38Å; L321-F324 PolarHBondContact O-N 3.34Å; L321-F324 VanDerWaalsContact O-N 3.13Å; L321-E325 PolarHBondContact O-N 3.3Å; L321-R362 HydrophobicContact CD2-CG 4.07Å; L321-R362 WeakPolarHBondContact CD2-O 3.34Å; L321-H365 HydrophobicContact CD2-CB 3.56Å; L321-H365 HydrophobicContact CG-CB 4.19Å; L321-I369 HydrophobicContact CD1-CD1 3.62Å; L321-I369 HydrophobicContact CG-CD1 4.44Å
322	M	93.6	Very high	93.2	Very high	103 Å²	103	70.1 Å²	70.1	51%	0.507	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-36	175.7	-174.6	-176.6	63.5	0	0	112	M318 I320 Q326	M318-M322 PolarHBondContact O-N 3.5Å; I320-M322 VanDerWaalsContact C-N 3.31Å; I320-M322 PolarHBondContact O-N 2.96Å; M322-Q326 WeakPolarHBondContact O-CG 3.21Å; M322-Q326 PolarHBondContact O-N 3.35Å
323	Q	94.6	Very high	93.2	Very high	113 Å²	113	66.2 Å²	66.2	53%	0.528	36%	0.357	S	S	.	.	H	α-helix	trans	-69.4	-42.3	173.7	-66.8	177.9	43.3	0	0	111.7	A319 I320 L321 E325 Q326 I327	A319-Q323 PolarHBondContact O-N 3.38Å; I320-Q323 WeakPolarHBondContact O-CB 3.4Å; I320-Q323 PolarHBondContact O-N 2.71Å; I320-Q323 VanDerWaalsContact O-N 3.07Å; L321-Q323 VanDerWaalsContact C-N 3.25Å; L321-Q323 PolarHBondContact O-N 3.38Å; Q323-E325 VanDerWaalsContact C-N 3.3Å; Q323-E325 PolarHBondContact O-N 3.3Å; Q323-Q326 PolarHBondContact O-N 3.38Å; Q323-I327 VanDerWaalsContact O-CG1 3.3Å; Q323-I327 WeakPolarHBondContact O-CG1 3.42Å; Q323-I327 PolarHBondContact O-N 2.83Å
324	F	92.9	Very high	93.3	Very high	37 Å²	37	62.3 Å²	62.3	16%	0.162	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-36.4	174.1	-80.6	-60	0	0	0	112.9	I320 L321 I327 T328 L361 R362 H365	I320-F324 HydrophobicContact CG2-CD2 3.72Å; I320-F324 HydrophobicContact CG2-CE2 3.5Å; I320-F324 VanDerWaalsContact CG2-CE2 3.5Å; I320-F324 WeakPolarHBondContact O-CD2 3.44Å; I320-F324 PolarHBondContact O-N 2.82Å; L321-F324 PolarHBondContact O-N 3.34Å; L321-F324 VanDerWaalsContact O-N 3.13Å; F324-I327 PolarHBondContact O-N 2.92Å; F324-T328 VanDerWaalsContact O-CB 3.32Å; F324-T328 WeakPolarHBondContact O-CB 3.2Å; F324-T328 PolarHBondContact O-N 3.41Å; F324-T328 PolarHBondContact O-OG1 2.66Å; F324-L361 HydrophobicContact CE1-CB 3.94Å; F324-L361 HydrophobicContact CE1-CD1 4.17Å; F324-L361 HydrophobicContact CE2-CB 4.46Å; F324-L361 HydrophobicContact CZ-CB 3.81Å; F324-L361 HydrophobicContact CZ-CD1 4.18Å; F324-R362 HydrophobicContact CB-CB 4.03Å; F324-R362 HydrophobicContact CB-CG 4.03Å; F324-R362 HydrophobicContact CG-CB 4.41Å; F324-H365 AromaticContact CE2-CD2 3.59Å
325	E	91.6	Very high	93.4	Very high	136 Å²	136	62.9 Å²	62.9	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-64.2	-45.6	174.7	-171	178.7	-172.5	0	0	111.5	L321 Q323 I327 T328 A329	L321-E325 PolarHBondContact O-N 3.3Å; Q323-E325 VanDerWaalsContact C-N 3.3Å; Q323-E325 PolarHBondContact O-N 3.3Å; E325-I327 PolarHBondContact O-N 3.04Å; E325-T328 WeakPolarHBondContact O-CB 3.36Å; E325-T328 PolarHBondContact O-N 3.44Å; E325-A329 PolarHBondContact O-N 3.11Å
326	Q	95	Very high	93.5	Very high	113 Å²	113	66.6 Å²	66.6	53%	0.528	36%	0.356	S	S	.	.	H	α-helix	trans	-60	-44	175.2	-68.9	172.2	20	0	0	112	M322 Q323 A329 I330	M322-Q326 WeakPolarHBondContact O-CG 3.21Å; M322-Q326 PolarHBondContact O-N 3.35Å; Q323-Q326 PolarHBondContact O-N 3.38Å; Q326-A329 WeakPolarHBondContact O-CB 3.22Å; Q326-A329 PolarHBondContact O-N 3.1Å; Q326-I330 WeakPolarHBondContact O-CG1 3.12Å; Q326-I330 PolarHBondContact O-N 2.87Å; Q326-I330 VanDerWaalsContact O-N 3.11Å
327	I	94.2	Very high	93.3	Very high	70 Å²	70	69.8 Å²	69.8	36%	0.359	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-41.9	176.9	-65.8	165.2	0	0	0	110.8	Q323 F324 E325 A329 I330 F331	Q323-I327 VanDerWaalsContact O-CG1 3.3Å; Q323-I327 WeakPolarHBondContact O-CG1 3.42Å; Q323-I327 PolarHBondContact O-N 2.83Å; F324-I327 PolarHBondContact O-N 2.92Å; E325-I327 PolarHBondContact O-N 3.04Å; I327-A329 VanDerWaalsContact C-N 3.29Å; I327-A329 PolarHBondContact O-N 3.31Å; I327-I330 WeakPolarHBondContact O-CB 3.4Å; I327-I330 PolarHBondContact O-N 3.05Å; I327-I330 VanDerWaalsContact O-N 3.14Å; I327-F331 HydrophobicContact CG2-CD2 3.87Å; I327-F331 HydrophobicContact CG2-CE2 3.4Å; I327-F331 HydrophobicContact CG2-CZ 4.07Å; I327-F331 WeakPolarHBondContact O-CD2 3.43Å; I327-F331 PolarHBondContact O-N 3.18Å
328	T	91.9	Very high	93.4	Very high	14 Å²	14	78.6 Å²	78.6	9%	0.086	40%	0.4	C	S	.	.	H	α-helix	trans	-59.5	-41.2	174.6	-58.6	0	0	0	0	111.1	F324 E325 I330 F331 T332	F324-T328 VanDerWaalsContact O-CB 3.32Å; F324-T328 WeakPolarHBondContact O-CB 3.2Å; F324-T328 PolarHBondContact O-N 3.41Å; F324-T328 PolarHBondContact O-OG1 2.66Å; E325-T328 WeakPolarHBondContact O-CB 3.36Å; E325-T328 PolarHBondContact O-N 3.44Å; T328-I330 VanDerWaalsContact C-N 3.34Å; T328-I330 PolarHBondContact O-N 2.86Å; T328-F331 PolarHBondContact O-N 2.83Å; T328-T332 VanDerWaalsContact O-CB 3.27Å; T328-T332 WeakPolarHBondContact O-CB 3.47Å; T328-T332 PolarHBondContact O-N 2.74Å; T328-T332 PolarHBondContact O-OG1 2.84Å
329	A	94.6	Very high	93.4	Very high	58 Å²	58	76.1 Å²	76.1	48%	0.479	39%	0.393	S	S	.	.	H	α-helix	trans	-63.4	-38.2	176.4	0	0	0	0	0	112.1	E325 Q326 I327 T332 A333	E325-A329 PolarHBondContact O-N 3.11Å; Q326-A329 WeakPolarHBondContact O-CB 3.22Å; Q326-A329 PolarHBondContact O-N 3.1Å; I327-A329 VanDerWaalsContact C-N 3.29Å; I327-A329 PolarHBondContact O-N 3.31Å; A329-T332 PolarHBondContact O-N 2.71Å; A329-A333 WeakPolarHBondContact O-CB 3.33Å; A329-A333 PolarHBondContact O-N 2.85Å
330	I	95.3	Very high	93.3	Very high	113 Å²	113	76.1 Å²	76.1	58%	0.579	38%	0.384	S	S	*	.	H	α-helix	trans	-63.6	-49.2	174	-66.3	166.4	0	0	0	110.8	Q326 I327 T328 T332 A333 A334	Q326-I330 WeakPolarHBondContact O-CG1 3.12Å; Q326-I330 PolarHBondContact O-N 2.87Å; Q326-I330 VanDerWaalsContact O-N 3.11Å; I327-I330 WeakPolarHBondContact O-CB 3.4Å; I327-I330 PolarHBondContact O-N 3.05Å; I327-I330 VanDerWaalsContact O-N 3.14Å; T328-I330 VanDerWaalsContact C-N 3.34Å; T328-I330 PolarHBondContact O-N 2.86Å; I330-T332 VanDerWaalsContact C-N 3.31Å; I330-T332 PolarHBondContact O-N 3.28Å; I330-A333 WeakPolarHBondContact O-CB 3.47Å; I330-A333 PolarHBondContact O-N 3.27Å; I330-A333 VanDerWaalsContact O-N 3.1Å; I330-A334 WeakPolarHBondContact O-CB 3.17Å; I330-A334 PolarHBondContact O-N 2.88Å
331	F	94.3	Very high	93.3	Very high	35 Å²	35	76.8 Å²	76.8	15%	0.154	39%	0.388	C	S	.	.	H	α-helix	trans	-62.3	-39.3	176.9	-68.2	-45.9	0	0	0	112.2	I327 T328 A333 A334 T335 I351 W354 R355 C358	I327-F331 HydrophobicContact CG2-CD2 3.87Å; I327-F331 HydrophobicContact CG2-CE2 3.4Å; I327-F331 HydrophobicContact CG2-CZ 4.07Å; I327-F331 WeakPolarHBondContact O-CD2 3.43Å; I327-F331 PolarHBondContact O-N 3.18Å; T328-F331 PolarHBondContact O-N 2.83Å; F331-A333 VanDerWaalsContact C-N 3.26Å; F331-A333 PolarHBondContact O-N 2.92Å; F331-A334 PolarHBondContact O-N 3.42Å; F331-T335 WeakPolarHBondContact O-CG2 3.31Å; F331-T335 PolarHBondContact O-N 3.28Å; F331-T335 PolarHBondContact O-OG1 3.21Å; F331-T335 VanDerWaalsContact O-OG1 3.1Å; F331-I351 HydrophobicContact CD1-CG2 4.26Å; F331-W354 HydrophobicContact CE1-CB 4.02Å; F331-W354 HydrophobicContact CE1-CE3 4.37Å; F331-W354 HydrophobicContact CE2-CB 4.22Å; F331-W354 HydrophobicContact CZ-CB 3.62Å; F331-R355 HydrophobicContact CB-CB 3.91Å; F331-R355 HydrophobicContact CB-CG 3.83Å; F331-R355 HydrophobicContact CD2-CB 4.19Å; F331-R355 HydrophobicContact CG-CB 4.06Å; F331-R355 HydrophobicContact CG-CG 4.42Å; F331-C358 HydrophobicContact CD2-CB 4.19Å; F331-C358 HydrophobicContact CE2-CB 3.87Å
332	T	92	Very high	93.5	Very high	53 Å²	53	83 Å²	83	33%	0.325	42%	0.416	S	S	.	.	H	α-helix	trans	-67.3	-25.3	175.3	-56.3	0	0	0	0	112.6	T328 A329 I330 T335 R336	T328-T332 VanDerWaalsContact O-CB 3.27Å; T328-T332 WeakPolarHBondContact O-CB 3.47Å; T328-T332 PolarHBondContact O-N 2.74Å; T328-T332 PolarHBondContact O-OG1 2.84Å; A329-T332 PolarHBondContact O-N 2.71Å; I330-T332 VanDerWaalsContact C-N 3.31Å; I330-T332 PolarHBondContact O-N 3.28Å; T332-T335 PolarHBondContact O-OG1 2.9Å; T332-R336 WeakPolarHBondContact O-CG 3.48Å; T332-R336 PolarHBondContact O-NE 2.85Å
333	A	95	Very high	93.6	Very high	42 Å²	42	81 Å²	81	35%	0.347	41%	0.405	S	S	.	.	H	α-helix	trans	-79	-40	170.6	0	0	0	0	0	112	A329 I330 F331 T335 R336	A329-A333 WeakPolarHBondContact O-CB 3.33Å; A329-A333 PolarHBondContact O-N 2.85Å; I330-A333 WeakPolarHBondContact O-CB 3.47Å; I330-A333 PolarHBondContact O-N 3.27Å; I330-A333 VanDerWaalsContact O-N 3.1Å; F331-A333 VanDerWaalsContact C-N 3.26Å; F331-A333 PolarHBondContact O-N 2.92Å; A333-T335 PolarHBondContact O-N 3.41Å; A333-R336 WeakPolarHBondContact O-CB 3.2Å; A333-R336 WeakPolarHBondContact O-CG 3.49Å; A333-R336 PolarHBondContact O-N 3.45Å
334	A	94.1	Very high	93.7	Very high	18 Å²	18	78.4 Å²	78.4	15%	0.149	40%	0.399	C	S	.	.	H	α-helix	trans	-66.8	-31.8	179.8	0	0	0	0	0	113.5	I330 F331 R336 W340 F343 I351	I330-A334 WeakPolarHBondContact O-CB 3.17Å; I330-A334 PolarHBondContact O-N 2.88Å; F331-A334 PolarHBondContact O-N 3.42Å; A334-R336 VanDerWaalsContact C-N 3.3Å; A334-R336 PolarHBondContact O-N 2.88Å; A334-W340 PolarHBondContact O-N 2.87Å; A334-F343 HydrophobicContact CB-CE2 4.1Å; A334-I351 HydrophobicContact CB-CG2 4.35Å
335	T	92.6	Very high	93.8	Very high	41 Å²	41	85.8 Å²	85.8	25%	0.252	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.1	175.6	53.4	0	0	0	0	114	F331 T332 A333 W340 I351	F331-T335 WeakPolarHBondContact O-CG2 3.31Å; F331-T335 PolarHBondContact O-N 3.28Å; F331-T335 PolarHBondContact O-OG1 3.21Å; F331-T335 VanDerWaalsContact O-OG1 3.1Å; T332-T335 PolarHBondContact O-OG1 2.9Å; A333-T335 PolarHBondContact O-N 3.41Å; T335-W340 HydrophobicContact CG2-CE3 4.33Å; T335-W340 HydrophobicContact CG2-CH2 4.41Å; T335-W340 HydrophobicContact CG2-CZ3 3.92Å; T335-I351 HydrophobicContact CG2-CG2 4.23Å
336	R	93.8	Very high	94	Very high	160 Å²	160	82.4 Å²	82.4	60%	0.604	43%	0.426	S	S	*	.	S	Bend	trans	-68.8	136	173.2	-60.5	174.9	-175	178.7	-1.5	109.7	T332 A333 A334 K338 A339 W340	T332-R336 WeakPolarHBondContact O-CG 3.48Å; T332-R336 PolarHBondContact O-NE 2.85Å; A333-R336 WeakPolarHBondContact O-CB 3.2Å; A333-R336 WeakPolarHBondContact O-CG 3.49Å; A333-R336 PolarHBondContact O-N 3.45Å; A334-R336 VanDerWaalsContact C-N 3.3Å; A334-R336 PolarHBondContact O-N 2.88Å; R336-K338 PolarHBondContact O-N 2.93Å; R336-A339 PolarHBondContact O-N 2.89Å; R336-W340 WeakPolarHBondContact O-CB 3.25Å; R336-W340 PolarHBondContact O-N 2.8Å
337	Q	91.8	Very high	94	Very high	121 Å²	121	81.7 Å²	81.7	57%	0.565	42%	0.423	S	S	*	.	H	α-helix	trans	-41.2	-44.3	-176.7	-160.2	69.1	27.4	0	0	114.4	A339 W340 D341	Q337-A339 VanDerWaalsContact C-N 3.31Å; Q337-A339 PolarHBondContact O-N 3.49Å; Q337-W340 PolarHBondContact O-N 2.91Å; Q337-D341 PolarHBondContact NE2-OD1 3.37Å; Q337-D341 VanDerWaalsContact NE2-OD1 3.11Å; Q337-D341 PolarHBondContact NE2-OD2 2.9Å; Q337-D341 PolarHBondContact O-N 3.41Å; Q337-D341 VanDerWaalsContact O-N 3.11Å
338	K	92.3	Very high	94.1	Very high	191 Å²	191	81.1 Å²	81.1	83%	0.83	42%	0.416	S	S	*	.	H	α-helix	trans	-55.5	-37.9	179.1	-64.2	-173.3	178.3	-176.4	0	114.1	R336 H342	R336-K338 PolarHBondContact O-N 2.93Å; K338-H342 PolarHBondContact O-CE1 3.34Å; K338-H342 PolarHBondContact O-ND1 3.44Å
339	A	91.6	Very high	94.2	Very high	33 Å²	33	87 Å²	87	27%	0.273	44%	0.441	S	S	.	.	H	α-helix	trans	-91.6	-42.1	174.7	0	0	0	0	0	110.9	R336 Q337 D341 H342 F343	R336-A339 PolarHBondContact O-N 2.89Å; Q337-A339 VanDerWaalsContact C-N 3.31Å; Q337-A339 PolarHBondContact O-N 3.49Å; A339-D341 VanDerWaalsContact C-N 3.3Å; A339-D341 PolarHBondContact O-N 2.85Å; A339-H342 WeakPolarHBondContact O-CB 3.45Å; A339-H342 PolarHBondContact O-N 3.23Å; A339-F343 HydrophobicContact CB-CE2 4.18Å
340	W	93.3	Very high	94.3	Very high	44 Å²	44	87.7 Å²	87.7	17%	0.167	44%	0.436	C	S	.	.	H	α-helix	trans	-51.4	-44.7	-175.3	-165.7	-123.9	0	0	0	113.7	A334 T335 R336 Q337 H342 F343 R348 I351 D352	A334-W340 PolarHBondContact O-N 2.87Å; T335-W340 HydrophobicContact CG2-CE3 4.33Å; T335-W340 HydrophobicContact CG2-CH2 4.41Å; T335-W340 HydrophobicContact CG2-CZ3 3.92Å; R336-W340 WeakPolarHBondContact O-CB 3.25Å; R336-W340 PolarHBondContact O-N 2.8Å; Q337-W340 PolarHBondContact O-N 2.91Å; W340-H342 PolarHBondContact O-N 3.01Å; W340-F343 HydrophobicContact CE3-CD2 4.3Å; W340-F343 PolarHBondContact O-N 3.01Å; W340-F343 VanDerWaalsContact O-N 3.14Å; W340-R348 HydrophobicContact CD2-CG 3.88Å; W340-R348 HydrophobicContact CE3-CB 4.44Å; W340-R348 HydrophobicContact CE3-CG 3.9Å; W340-R348 HydrophobicContact CH2-CB 3.48Å; W340-R348 VanDerWaalsContact CH2-CB 3.48Å; W340-R348 HydrophobicContact CH2-CG 3.83Å; W340-R348 WeakPolarHBondContact CH2-O 3.24Å; W340-R348 HydrophobicContact CZ2-CB 3.62Å; W340-R348 HydrophobicContact CZ2-CG 3.8Å; W340-R348 HydrophobicContact CZ3-CB 3.91Å; W340-R348 HydrophobicContact CZ3-CG 3.87Å; W340-R348 PolarHBondContact O-NE 3.43Å; W340-R348 VanDerWaalsContact O-NE 3.08Å; W340-R348 PolarHBondContact O-NH1 2.74Å; W340-R348 PolarHBondContact O-NH2 2.96Å; W340-I351 HydrophobicContact CZ3-CB 4.32Å; W340-I351 HydrophobicContact CZ3-CG2 4.12Å; W340-D352 WeakPolarHBondContact CH2-OD1 3.48Å; W340-D352 WeakPolarHBondContact CH2-OD2 3.22Å
341	D	93.2	Very high	94.2	Very high	86 Å²	86	83.1 Å²	83.1	46%	0.46	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.3	-176.3	-75.7	-29.2	0	0	0	114.6	Q337 A339 R348	Q337-D341 PolarHBondContact NE2-OD1 3.37Å; Q337-D341 VanDerWaalsContact NE2-OD1 3.11Å; Q337-D341 PolarHBondContact NE2-OD2 2.9Å; Q337-D341 PolarHBondContact O-N 3.41Å; Q337-D341 VanDerWaalsContact O-N 3.11Å; A339-D341 VanDerWaalsContact C-N 3.3Å; A339-D341 PolarHBondContact O-N 2.85Å; D341-R348 PolarHBondContact O-NH2 3.23Å; D341-R348 IonicContact OD1-NH1 3.04Å; D341-R348 PolarHBondContact OD1-NH1 3.07Å
342	H	95.6	Very high	94.2	Very high	161 Å²	161	84.6 Å²	84.6	75%	0.745	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-18.2	176.4	-61.6	90.9	0	0	0	113.1	K338 A339 W340	K338-H342 PolarHBondContact O-CE1 3.34Å; K338-H342 PolarHBondContact O-ND1 3.44Å; A339-H342 WeakPolarHBondContact O-CB 3.45Å; A339-H342 PolarHBondContact O-N 3.23Å; W340-H342 PolarHBondContact O-N 3.01Å
343	F	96.6	Very high	94.3	Very high	63 Å²	63	85.5 Å²	85.5	28%	0.276	43%	0.425	S	S	.	.	S	Bend	trans	-81.4	144.5	177.3	-62.6	-54.5	0	0	0	111.8	A334 A339 W340 Q347 R348 I351	A334-F343 HydrophobicContact CB-CE2 4.1Å; A339-F343 HydrophobicContact CB-CE2 4.18Å; W340-F343 HydrophobicContact CE3-CD2 4.3Å; W340-F343 PolarHBondContact O-N 3.01Å; W340-F343 VanDerWaalsContact O-N 3.14Å; F343-Q347 HydrophobicContact CB-CB 4.13Å; F343-R348 HydrophobicContact CB-CG 3.82Å; F343-R348 VanDerWaalsContact O-CZ 3.28Å; F343-R348 PolarHBondContact O-NE 3.48Å; F343-R348 PolarHBondContact O-NH2 2.8Å; F343-I351 HydrophobicContact CD1-CD1 4.31Å; F343-I351 HydrophobicContact CD2-CD1 3.78Å; F343-I351 HydrophobicContact CE1-CD1 4.37Å; F343-I351 HydrophobicContact CE2-CD1 3.86Å; F343-I351 HydrophobicContact CG-CD1 4.03Å; F343-I351 HydrophobicContact CZ-CD1 4.16Å
344	S	96.8	Very high	94.3	Very high	58 Å²	58	90 Å²	90	41%	0.406	43%	0.433	S	S	.	.			trans	-67.9	159.8	170.7	69.2	0	0	0	0	112.1	A346 Q347 R348	S344-A346 PolarHBondContact O-N 3.47Å; S344-A346 VanDerWaalsContact O-N 3.16Å; S344-Q347 VanDerWaalsContact CB-OE1 3.29Å; S344-Q347 PolarHBondContact O-N 3.39Å; S344-Q347 VanDerWaalsContact O-N 3.1Å; S344-Q347 VanDerWaalsContact OG-CD 3.27Å; S344-Q347 WeakPolarHBondContact OG-CG 3.41Å; S344-Q347 PolarHBondContact OG-N 3.41Å; S344-Q347 PolarHBondContact OG-OE1 2.95Å; S344-R348 WeakPolarHBondContact O-CG 3.15Å; S344-R348 PolarHBondContact O-N 3.04Å
345	K	94.8	Very high	94.3	Very high	191 Å²	191	93.1 Å²	93.1	83%	0.83	44%	0.44	S	S	*	.	H	α-helix	trans	-56.2	-32.7	178.4	-171.6	174	-179.4	177.1	0	113.3	K349	K345-K349 PolarHBondContact O-N 3.18Å
346	A	95.3	Very high	94.3	Very high	65 Å²	65	97.7 Å²	97.7	54%	0.537	46%	0.457	S	S	.	.	H	α-helix	trans	-73.4	-44.7	175.9	0	0	0	0	0	112.1	S344 R348 K349 N350	S344-A346 PolarHBondContact O-N 3.47Å; S344-A346 VanDerWaalsContact O-N 3.16Å; A346-R348 PolarHBondContact O-N 3.07Å; A346-K349 PolarHBondContact O-N 3.46Å; A346-N350 PolarHBondContact O-N 3.21Å; A346-N350 VanDerWaalsContact O-N 3.08Å; A346-N350 PolarHBondContact O-OD1 2.98Å
347	Q	95.2	Very high	94.2	Very high	98 Å²	98	94.7 Å²	94.7	46%	0.458	45%	0.45	S	S	.	.	H	α-helix	trans	-62.1	-42.9	176.5	-74	159.9	-39.4	0	0	111.8	F343 S344 K349 N350 I351	F343-Q347 HydrophobicContact CB-CB 4.13Å; S344-Q347 VanDerWaalsContact CB-OE1 3.29Å; S344-Q347 PolarHBondContact O-N 3.39Å; S344-Q347 VanDerWaalsContact O-N 3.1Å; S344-Q347 VanDerWaalsContact OG-CD 3.27Å; S344-Q347 WeakPolarHBondContact OG-CG 3.41Å; S344-Q347 PolarHBondContact OG-N 3.41Å; S344-Q347 PolarHBondContact OG-OE1 2.95Å; Q347-K349 PolarHBondContact O-N 3.39Å; Q347-N350 PolarHBondContact O-N 2.89Å; Q347-I351 VanDerWaalsContact O-CG1 3.31Å; Q347-I351 WeakPolarHBondContact O-CG1 3.2Å; Q347-I351 PolarHBondContact O-N 3.09Å
348	R	95.8	Very high	94.3	Very high	58 Å²	58	89.4 Å²	89.4	22%	0.219	43%	0.426	C	S	.	.	H	α-helix	trans	-55	-50	174.2	-70	-178.8	-151.3	-151.2	7.6	111.8	W340 D341 F343 S344 A346 N350 I351 D352	W340-R348 HydrophobicContact CD2-CG 3.88Å; W340-R348 HydrophobicContact CE3-CB 4.44Å; W340-R348 HydrophobicContact CE3-CG 3.9Å; W340-R348 HydrophobicContact CH2-CB 3.48Å; W340-R348 VanDerWaalsContact CH2-CB 3.48Å; W340-R348 HydrophobicContact CH2-CG 3.83Å; W340-R348 WeakPolarHBondContact CH2-O 3.24Å; W340-R348 HydrophobicContact CZ2-CB 3.62Å; W340-R348 HydrophobicContact CZ2-CG 3.8Å; W340-R348 HydrophobicContact CZ3-CB 3.91Å; W340-R348 HydrophobicContact CZ3-CG 3.87Å; W340-R348 PolarHBondContact O-NE 3.43Å; W340-R348 VanDerWaalsContact O-NE 3.08Å; W340-R348 PolarHBondContact O-NH1 2.74Å; W340-R348 PolarHBondContact O-NH2 2.96Å; D341-R348 PolarHBondContact O-NH2 3.23Å; D341-R348 IonicContact OD1-NH1 3.04Å; D341-R348 PolarHBondContact OD1-NH1 3.07Å; F343-R348 HydrophobicContact CB-CG 3.82Å; F343-R348 VanDerWaalsContact O-CZ 3.28Å; F343-R348 PolarHBondContact O-NE 3.48Å; F343-R348 PolarHBondContact O-NH2 2.8Å; S344-R348 WeakPolarHBondContact O-CG 3.15Å; S344-R348 PolarHBondContact O-N 3.04Å; A346-R348 PolarHBondContact O-N 3.07Å; R348-N350 VanDerWaalsContact C-N 3.31Å; R348-N350 PolarHBondContact O-N 3.43Å; R348-I351 PolarHBondContact O-N 2.79Å; R348-D352 PolarHBondContact O-N 3.19Å
349	K	94.7	Very high	94.2	Very high	139 Å²	139	82.8 Å²	82.8	60%	0.604	40%	0.398	S	S	*	.	H	α-helix	trans	-58.3	-41.5	177	-173.3	-176.5	176.6	-172.4	0	112.2	K345 A346 Q347 I353	K345-K349 PolarHBondContact O-N 3.18Å; A346-K349 PolarHBondContact O-N 3.46Å; Q347-K349 PolarHBondContact O-N 3.39Å; K349-I353 HydrophobicContact CG-CD1 4.08Å; K349-I353 WeakPolarHBondContact O-CD1 3.16Å; K349-I353 VanDerWaalsContact O-CG1 3.28Å; K349-I353 WeakPolarHBondContact O-CG1 3.39Å; K349-I353 PolarHBondContact O-N 3.2Å; K349-I353 VanDerWaalsContact O-N 3.14Å
350	N	95.6	Very high	94.2	Very high	72 Å²	72	87 Å²	87	39%	0.385	41%	0.412	S	S	.	.	H	α-helix	trans	-68.6	-42.3	178.4	-68.2	-0.3	0	0	0	111.9	A346 Q347 R348 D352 I353 W354	A346-N350 PolarHBondContact O-N 3.21Å; A346-N350 VanDerWaalsContact O-N 3.08Å; A346-N350 PolarHBondContact O-OD1 2.98Å; Q347-N350 PolarHBondContact O-N 2.89Å; R348-N350 VanDerWaalsContact C-N 3.31Å; R348-N350 PolarHBondContact O-N 3.43Å; N350-D352 VanDerWaalsContact C-N 3.34Å; N350-D352 PolarHBondContact O-N 3.4Å; N350-I353 PolarHBondContact O-N 3.31Å; N350-W354 HydrophobicContact CB-CE3 4.48Å; N350-W354 HydrophobicContact CB-CH2 4.15Å; N350-W354 HydrophobicContact CB-CZ2 4.14Å; N350-W354 HydrophobicContact CB-CZ3 4.31Å; N350-W354 VanDerWaalsContact O-CG 3.27Å; N350-W354 PolarHBondContact O-N 3.01Å
351	I	94.9	Very high	94.1	Very high	16 Å²	16	89.1 Å²	89.1	8%	0.082	43%	0.426	C	S	.	.	H	α-helix	trans	-60.5	-42.8	176.2	-69.3	163.6	0	0	0	110.9	F331 A334 T335 W340 F343 Q347 R348 I353 R355	F331-I351 HydrophobicContact CD1-CG2 4.26Å; A334-I351 HydrophobicContact CB-CG2 4.35Å; T335-I351 HydrophobicContact CG2-CG2 4.23Å; W340-I351 HydrophobicContact CZ3-CB 4.32Å; W340-I351 HydrophobicContact CZ3-CG2 4.12Å; F343-I351 HydrophobicContact CD1-CD1 4.31Å; F343-I351 HydrophobicContact CD2-CD1 3.78Å; F343-I351 HydrophobicContact CE1-CD1 4.37Å; F343-I351 HydrophobicContact CE2-CD1 3.86Å; F343-I351 HydrophobicContact CG-CD1 4.03Å; F343-I351 HydrophobicContact CZ-CD1 4.16Å; Q347-I351 VanDerWaalsContact O-CG1 3.31Å; Q347-I351 WeakPolarHBondContact O-CG1 3.2Å; Q347-I351 PolarHBondContact O-N 3.09Å; R348-I351 PolarHBondContact O-N 2.79Å; I351-I353 PolarHBondContact O-N 3.25Å; I351-R355 WeakPolarHBondContact O-CB 3.25Å; I351-R355 PolarHBondContact O-N 2.89Å
352	D	93.6	Very high	94	Very high	66 Å²	66	87.7 Å²	87.7	35%	0.353	41%	0.414	S	S	.	.	H	α-helix	trans	-63.9	-38.8	176	-76.9	-28.7	0	0	0	112.7	W340 R348 N350 K356	W340-D352 WeakPolarHBondContact CH2-OD1 3.48Å; W340-D352 WeakPolarHBondContact CH2-OD2 3.22Å; R348-D352 PolarHBondContact O-N 3.19Å; N350-D352 VanDerWaalsContact C-N 3.34Å; N350-D352 PolarHBondContact O-N 3.4Å; D352-K356 WeakPolarHBondContact O-CG 3.39Å; D352-K356 PolarHBondContact O-N 2.93Å; D352-K356 VanDerWaalsContact O-N 3.14Å
353	I	94.2	Very high	93.7	Very high	73 Å²	73	84 Å²	84	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-51.9	176.7	-70	164.7	0	0	0	110.4	K349 N350 I351 R355 K356 Q357	K349-I353 HydrophobicContact CG-CD1 4.08Å; K349-I353 WeakPolarHBondContact O-CD1 3.16Å; K349-I353 VanDerWaalsContact O-CG1 3.28Å; K349-I353 WeakPolarHBondContact O-CG1 3.39Å; K349-I353 PolarHBondContact O-N 3.2Å; K349-I353 VanDerWaalsContact O-N 3.14Å; N350-I353 PolarHBondContact O-N 3.31Å; I351-I353 PolarHBondContact O-N 3.25Å; I353-R355 VanDerWaalsContact C-N 3.28Å; I353-R355 PolarHBondContact O-N 3.13Å; I353-K356 PolarHBondContact O-N 3.49Å; I353-Q357 HydrophobicContact CG2-CG 4.49Å; I353-Q357 WeakPolarHBondContact O-CG 3.35Å; I353-Q357 PolarHBondContact O-N 3.09Å
354	W	95.3	Very high	93.4	Very high	137 Å²	137	83.6 Å²	83.6	52%	0.519	41%	0.408	S	S	.	.	H	α-helix	trans	-62.7	-35.9	179.4	-61.3	-31.3	0	0	0	112.4	F331 N350 C358	F331-W354 HydrophobicContact CE1-CB 4.02Å; F331-W354 HydrophobicContact CE1-CE3 4.37Å; F331-W354 HydrophobicContact CE2-CB 4.22Å; F331-W354 HydrophobicContact CZ-CB 3.62Å; N350-W354 HydrophobicContact CB-CE3 4.48Å; N350-W354 HydrophobicContact CB-CH2 4.15Å; N350-W354 HydrophobicContact CB-CZ2 4.14Å; N350-W354 HydrophobicContact CB-CZ3 4.31Å; N350-W354 VanDerWaalsContact O-CG 3.27Å; N350-W354 PolarHBondContact O-N 3.01Å; W354-C358 WeakPolarHBondContact O-CB 3.48Å; W354-C358 PolarHBondContact O-N 3.05Å
355	R	93.5	Very high	93	Very high	82 Å²	82	83.2 Å²	83.2	31%	0.309	40%	0.4	S	S	.	.	H	α-helix	trans	-61.1	-46.7	174.1	-176.7	178.2	170.2	-116.2	-24.3	111.5	F331 I351 I353 C358 E359	F331-R355 HydrophobicContact CB-CB 3.91Å; F331-R355 HydrophobicContact CB-CG 3.83Å; F331-R355 HydrophobicContact CD2-CB 4.19Å; F331-R355 HydrophobicContact CG-CB 4.06Å; F331-R355 HydrophobicContact CG-CG 4.42Å; I351-R355 WeakPolarHBondContact O-CB 3.25Å; I351-R355 PolarHBondContact O-N 2.89Å; I353-R355 VanDerWaalsContact C-N 3.28Å; I353-R355 PolarHBondContact O-N 3.13Å; R355-C358 PolarHBondContact O-N 3.41Å; R355-E359 IonicContact CZ-OE2 2.85Å; R355-E359 IonicContact NE-OE2 3.23Å; R355-E359 IonicContact NH2-OE2 3.86Å; R355-E359 PolarHBondContact NH2-OE2 3.23Å; R355-E359 WeakPolarHBondContact O-CB 3.47Å; R355-E359 PolarHBondContact O-N 3.07Å
356	K	92.7	Very high	92.8	Very high	138 Å²	138	76.7 Å²	76.7	60%	0.6	38%	0.378	S	S	*	.	H	α-helix	trans	-62.5	-49.1	177.9	-74.5	-178	176.9	-164.6	0	111.9	D352 I353 C358 E359 E360	D352-K356 WeakPolarHBondContact O-CG 3.39Å; D352-K356 PolarHBondContact O-N 2.93Å; D352-K356 VanDerWaalsContact O-N 3.14Å; I353-K356 PolarHBondContact O-N 3.49Å; K356-C358 VanDerWaalsContact C-N 3.28Å; K356-C358 PolarHBondContact O-N 2.93Å; K356-E359 PolarHBondContact O-N 3Å; K356-E359 VanDerWaalsContact O-N 3.11Å; K356-E360 WeakPolarHBondContact O-CB 3.39Å; K356-E360 VanDerWaalsContact O-CG 3.3Å; K356-E360 WeakPolarHBondContact O-CG 3.43Å; K356-E360 PolarHBondContact O-N 3.08Å
357	Q	92.6	Very high	92.4	Very high	97 Å²	97	80 Å²	80	45%	0.453	38%	0.382	S	S	.	.	H	α-helix	trans	-58.8	-39.4	177.5	-68.5	175.9	-44.4	0	0	112.4	I353 L361	I353-Q357 HydrophobicContact CG2-CG 4.49Å; I353-Q357 WeakPolarHBondContact O-CG 3.35Å; I353-Q357 PolarHBondContact O-N 3.09Å; Q357-L361 WeakPolarHBondContact O-CB 3.41Å; Q357-L361 VanDerWaalsContact O-CG 3.31Å; Q357-L361 WeakPolarHBondContact O-CG 3.45Å; Q357-L361 PolarHBondContact O-N 3.35Å
358	C	93	Very high	92	Very high	9 Å²	9	79 Å²	79	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-68.7	-37.9	176.4	-178	0	0	0	0	112.7	F331 W354 R355 K356 R362	F331-C358 HydrophobicContact CD2-CB 4.19Å; F331-C358 HydrophobicContact CE2-CB 3.87Å; W354-C358 WeakPolarHBondContact O-CB 3.48Å; W354-C358 PolarHBondContact O-N 3.05Å; R355-C358 PolarHBondContact O-N 3.41Å; K356-C358 VanDerWaalsContact C-N 3.28Å; K356-C358 PolarHBondContact O-N 2.93Å; C358-R362 VanDerWaalsContact O-CB 3.27Å; C358-R362 WeakPolarHBondContact O-CB 3.18Å; C358-R362 PolarHBondContact O-N 3.09Å
359	E	90	Very high	91.6	Very high	53 Å²	53	76.6 Å²	76.6	25%	0.248	37%	0.369	C	S	.	.	H	α-helix	trans	-70.5	-38.8	177	-170.9	119.5	-122.9	0	0	111.3	R355 K356 R362 N363	R355-E359 IonicContact CZ-OE2 2.85Å; R355-E359 IonicContact NE-OE2 3.23Å; R355-E359 IonicContact NH2-OE2 3.86Å; R355-E359 PolarHBondContact NH2-OE2 3.23Å; R355-E359 WeakPolarHBondContact O-CB 3.47Å; R355-E359 PolarHBondContact O-N 3.07Å; K356-E359 PolarHBondContact O-N 3Å; K356-E359 VanDerWaalsContact O-N 3.11Å; E359-R362 IonicContact OE1-CZ 2.83Å; E359-R362 VanDerWaalsContact OE1-CZ 3.23Å; E359-R362 IonicContact OE1-NH1 3.29Å; E359-R362 PolarHBondContact OE1-NH1 3Å; E359-R362 IonicContact OE1-NH2 2.74Å; E359-R362 PolarHBondContact OE1-NH2 3.23Å; E359-N363 WeakPolarHBondContact O-CB 3.39Å; E359-N363 PolarHBondContact O-N 3.35Å; E359-N363 PolarHBondContact O-ND2 2.71Å; E359-N363 PolarHBondContact O-OD1 2.69Å
360	E	92.2	Very high	91.1	Very high	121 Å²	121	74.4 Å²	74.4	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-62.2	-52.1	172.6	-73.1	157	-165.6	0	0	111.6	K356 R362 N363 A364	K356-E360 WeakPolarHBondContact O-CB 3.39Å; K356-E360 VanDerWaalsContact O-CG 3.3Å; K356-E360 WeakPolarHBondContact O-CG 3.43Å; K356-E360 PolarHBondContact O-N 3.08Å; E360-R362 PolarHBondContact O-N 3.43Å; E360-N363 PolarHBondContact O-N 3.45Å; E360-A364 PolarHBondContact O-N 3.44Å
361	L	90.4	Very high	90.5	Very high	88 Å²	88	72.3 Å²	72.3	46%	0.461	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-41.2	177.4	-73.5	168.6	0	0	0	112.8	F324 Q357 N363 A364 H365	F324-L361 HydrophobicContact CE1-CB 3.94Å; F324-L361 HydrophobicContact CE1-CD1 4.17Å; F324-L361 HydrophobicContact CE2-CB 4.46Å; F324-L361 HydrophobicContact CZ-CB 3.81Å; F324-L361 HydrophobicContact CZ-CD1 4.18Å; Q357-L361 WeakPolarHBondContact O-CB 3.41Å; Q357-L361 VanDerWaalsContact O-CG 3.31Å; Q357-L361 WeakPolarHBondContact O-CG 3.45Å; Q357-L361 PolarHBondContact O-N 3.35Å; L361-N363 VanDerWaalsContact C-N 3.31Å; L361-N363 PolarHBondContact O-N 2.87Å; L361-A364 PolarHBondContact O-N 3.33Å; L361-H365 PolarHBondContact O-CD2 3.02Å; L361-H365 PolarHBondContact O-N 3.46Å; L361-H365 VanDerWaalsContact O-N 3.12Å
362	R	91.6	Very high	89.9	Confident	57 Å²	57	72.9 Å²	72.9	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-60.7	-41.9	175.4	-173.5	-158.2	67.6	-144.5	-4	111.3	L321 F324 C358 E359 E360 S366	L321-R362 HydrophobicContact CD2-CG 4.07Å; L321-R362 WeakPolarHBondContact CD2-O 3.34Å; F324-R362 HydrophobicContact CB-CB 4.03Å; F324-R362 HydrophobicContact CB-CG 4.03Å; F324-R362 HydrophobicContact CG-CB 4.41Å; C358-R362 VanDerWaalsContact O-CB 3.27Å; C358-R362 WeakPolarHBondContact O-CB 3.18Å; C358-R362 PolarHBondContact O-N 3.09Å; E359-R362 IonicContact OE1-CZ 2.83Å; E359-R362 VanDerWaalsContact OE1-CZ 3.23Å; E359-R362 IonicContact OE1-NH1 3.29Å; E359-R362 PolarHBondContact OE1-NH1 3Å; E359-R362 IonicContact OE1-NH2 2.74Å; E359-R362 PolarHBondContact OE1-NH2 3.23Å; E360-R362 PolarHBondContact O-N 3.43Å; R362-S366 VanDerWaalsContact O-CB 3.24Å; R362-S366 WeakPolarHBondContact O-CB 3.45Å; R362-S366 PolarHBondContact O-N 3.18Å
363	N	90.1	Very high	89.1	Confident	83 Å²	83	74.7 Å²	74.7	44%	0.444	36%	0.363	S	S	.	.	H	α-helix	trans	-67.1	-43.2	-180	-68.3	-9.4	0	0	0	111.3	E359 E360 L361 S366 E367	E359-N363 WeakPolarHBondContact O-CB 3.39Å; E359-N363 PolarHBondContact O-N 3.35Å; E359-N363 PolarHBondContact O-ND2 2.71Å; E359-N363 PolarHBondContact O-OD1 2.69Å; E360-N363 PolarHBondContact O-N 3.45Å; L361-N363 VanDerWaalsContact C-N 3.31Å; L361-N363 PolarHBondContact O-N 2.87Å; N363-S366 WeakPolarHBondContact O-CB 3.49Å; N363-S366 PolarHBondContact O-N 3.43Å; N363-S366 VanDerWaalsContact O-N 3.16Å; N363-E367 PolarHBondContact O-N 3.32Å
364	A	89.8	Confident	88.4	Confident	54 Å²	54	77 Å²	77	45%	0.446	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-50.1	176.7	0	0	0	0	0	112.5	E360 L361 S366 E367 E368	E360-A364 PolarHBondContact O-N 3.44Å; L361-A364 PolarHBondContact O-N 3.33Å; A364-S366 VanDerWaalsContact C-N 3.26Å; A364-S366 PolarHBondContact O-N 2.67Å; A364-E367 WeakPolarHBondContact O-CB 3.42Å; A364-E367 PolarHBondContact O-N 3.34Å; A364-E367 VanDerWaalsContact O-N 3.15Å; A364-E368 PolarHBondContact O-N 3.27Å
365	H	88.5	Confident	87.2	Confident	50 Å²	50	75.8 Å²	75.8	23%	0.231	37%	0.367	C	S	.	.	H	α-helix	trans	-68.3	-24.7	176.7	-69.3	-52.8	0	0	0	113.4	L317 L321 F324 L361 E368 I369	L317-H365 HydrophobicContact CD1-CB 3.88Å; L321-H365 HydrophobicContact CD2-CB 3.56Å; L321-H365 HydrophobicContact CG-CB 4.19Å; F324-H365 AromaticContact CE2-CD2 3.59Å; L361-H365 PolarHBondContact O-CD2 3.02Å; L361-H365 PolarHBondContact O-N 3.46Å; L361-H365 VanDerWaalsContact O-N 3.12Å; H365-E368 IonicContact CE1-OE2 3.35Å; H365-E368 IonicContact CG-OE2 2.92Å; H365-E368 IonicContact ND1-OE2 3.65Å; H365-E368 PolarHBondContact ND1-OE2 3.21Å; H365-I369 PolarHBondContact O-N 3.13Å
366	S	89.1	Confident	86	Confident	54 Å²	54	73.9 Å²	73.9	38%	0.378	36%	0.361	S	S	.	.	H	α-helix	trans	-74.2	-33.2	172.4	-173.5	0	0	0	0	112	R362 N363 A364 M370	R362-S366 VanDerWaalsContact O-CB 3.24Å; R362-S366 WeakPolarHBondContact O-CB 3.45Å; R362-S366 PolarHBondContact O-N 3.18Å; N363-S366 WeakPolarHBondContact O-CB 3.49Å; N363-S366 PolarHBondContact O-N 3.43Å; N363-S366 VanDerWaalsContact O-N 3.16Å; A364-S366 VanDerWaalsContact C-N 3.26Å; A364-S366 PolarHBondContact O-N 2.67Å; S366-M370 WeakPolarHBondContact O-CB 3.28Å; S366-M370 VanDerWaalsContact O-CG 3.23Å; S366-M370 WeakPolarHBondContact O-CG 3.44Å; S366-M370 PolarHBondContact O-N 2.73Å; S366-M370 VanDerWaalsContact O-N 3.14Å
367	E	88.4	Confident	84.7	Confident	134 Å²	134	74 Å²	74	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-70.7	-40.3	173.8	-178.8	159.8	-149.9	0	0	111.4	N363 A364 I369 M370 G371	N363-E367 PolarHBondContact O-N 3.32Å; A364-E367 WeakPolarHBondContact O-CB 3.42Å; A364-E367 PolarHBondContact O-N 3.34Å; A364-E367 VanDerWaalsContact O-N 3.15Å; E367-I369 PolarHBondContact O-N 3.34Å; E367-M370 CarbonylContact O-C 3.45Å; E367-M370 WeakPolarHBondContact O-CA 3.31Å; E367-M370 PolarHBondContact O-N 3.08Å; E367-M370 VanDerWaalsContact O-N 3.09Å; E367-G371 PolarHBondContact O-N 3.09Å
368	E	86.5	Confident	83.2	Confident	77 Å²	77	76.3 Å²	76.3	36%	0.36	38%	0.377	S	S	.	.	H	α-helix	trans	-54.6	-49.6	173	-170.6	176.9	-166.7	0	0	111.8	F313 L317 A364 H365 M370 G371 I372	F313-E368 WeakPolarHBondContact CZ-OE1 3.44Å; L317-E368 HydrophobicContact CD2-CB 4.06Å; L317-E368 HydrophobicContact CD2-CG 3.64Å; A364-E368 PolarHBondContact O-N 3.27Å; H365-E368 IonicContact CE1-OE2 3.35Å; H365-E368 IonicContact CG-OE2 2.92Å; H365-E368 IonicContact ND1-OE2 3.65Å; H365-E368 PolarHBondContact ND1-OE2 3.21Å; E368-M370 PolarHBondContact O-N 3.05Å; E368-G371 PolarHBondContact O-N 3.4Å; E368-I372 WeakPolarHBondContact O-CG1 3.37Å; E368-I372 PolarHBondContact O-N 3.39Å; E368-I372 VanDerWaalsContact O-N 3.09Å
369	I	87.3	Confident	81.6	Confident	8 Å²	8	81.3 Å²	81.3	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-63.7	-38.8	173.7	-69.8	-175.5	0	0	0	112.5	L317 M318 L321 H365 E367 G371 I372 R373	L317-I369 HydrophobicContact CB-CD1 4.21Å; L317-I369 HydrophobicContact CB-CG1 4.33Å; L317-I369 HydrophobicContact CD2-CD1 4.22Å; L317-I369 HydrophobicContact CD2-CG1 3.5Å; L317-I369 HydrophobicContact CG-CD1 3.88Å; L317-I369 HydrophobicContact CG-CG1 3.74Å; M318-I369 HydrophobicContact CB-CD1 4.44Å; M318-I369 HydrophobicContact CG-CD1 3.59Å; L321-I369 HydrophobicContact CD1-CD1 3.62Å; L321-I369 HydrophobicContact CG-CD1 4.44Å; H365-I369 PolarHBondContact O-N 3.13Å; E367-I369 PolarHBondContact O-N 3.34Å; I369-G371 VanDerWaalsContact C-N 3.25Å; I369-G371 PolarHBondContact O-N 3.48Å; I369-I372 PolarHBondContact O-N 2.88Å; I369-R373 WeakPolarHBondContact O-CG 3.37Å; I369-R373 PolarHBondContact O-N 3.49Å
370	M	84.6	Confident	79.6	Confident	94 Å²	94	85.6 Å²	85.6	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-70.6	-22.6	176.9	-73.3	-67.6	-69.6	0	0	112.5	S366 E367 E368 R374	S366-M370 WeakPolarHBondContact O-CB 3.28Å; S366-M370 VanDerWaalsContact O-CG 3.23Å; S366-M370 WeakPolarHBondContact O-CG 3.44Å; S366-M370 PolarHBondContact O-N 2.73Å; S366-M370 VanDerWaalsContact O-N 3.14Å; E367-M370 CarbonylContact O-C 3.45Å; E367-M370 WeakPolarHBondContact O-CA 3.31Å; E367-M370 PolarHBondContact O-N 3.08Å; E367-M370 VanDerWaalsContact O-N 3.09Å; E368-M370 PolarHBondContact O-N 3.05Å; M370-R374 WeakPolarHBondContact O-CG 3.46Å; M370-R374 PolarHBondContact O-N 3.21Å; M370-R374 PolarHBondContact O-NE 3.11Å; M370-R374 PolarHBondContact O-NH2 3.45Å
371	G	83.2	Confident	77.4	Confident	27 Å²	27	84.7 Å²	84.7	28%	0.278	43%	0.428	S	S	.	.	H	α-helix	trans	-68.9	-55.4	169.4	0	0	0	0	0	110.8	E367 E368 I369 R373 R374 E375	E367-G371 PolarHBondContact O-N 3.09Å; E368-G371 PolarHBondContact O-N 3.4Å; I369-G371 VanDerWaalsContact C-N 3.25Å; I369-G371 PolarHBondContact O-N 3.48Å; G371-R373 VanDerWaalsContact C-N 3.29Å; G371-R373 PolarHBondContact O-N 3.01Å; G371-R374 WeakPolarHBondContact O-CB 3.35Å; G371-R374 PolarHBondContact O-N 3.42Å; G371-E375 PolarHBondContact O-N 3.01Å
372	I	81.9	Confident	75.5	Confident	29 Å²	29	87.6 Å²	87.6	15%	0.149	44%	0.444	C	S	.	.	H	α-helix	trans	-52.9	-45.3	178.2	-65.1	164.9	0	0	0	111.3	F313 K314 E368 I369 R374 E375 E376	F313-I372 HydrophobicContact CD1-CD1 4.17Å; F313-I372 HydrophobicContact CE1-CD1 4.04Å; K314-I372 HydrophobicContact CD-CG2 4.42Å; E368-I372 WeakPolarHBondContact O-CG1 3.37Å; E368-I372 PolarHBondContact O-N 3.39Å; E368-I372 VanDerWaalsContact O-N 3.09Å; I369-I372 PolarHBondContact O-N 2.88Å; I372-R374 PolarHBondContact O-N 3.26Å; I372-E375 WeakPolarHBondContact O-CB 3.16Å; I372-E375 PolarHBondContact O-N 3.49Å; I372-E376 HydrophobicContact CG2-CG 4.49Å; I372-E376 VanDerWaalsContact CG2-OE1 3.25Å; I372-E376 WeakPolarHBondContact CG2-OE1 3.22Å; I372-E376 WeakPolarHBondContact O-CG 3.35Å; I372-E376 PolarHBondContact O-N 2.92Å
373	R	77.2	Confident	73.4	Confident	104 Å²	104	91.2 Å²	91.2	39%	0.392	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-35.1	177.2	-73.5	179	-178.9	169.2	1.1	114.2	I369 G371 E375 E377	I369-R373 WeakPolarHBondContact O-CG 3.37Å; I369-R373 PolarHBondContact O-N 3.49Å; G371-R373 VanDerWaalsContact C-N 3.29Å; G371-R373 PolarHBondContact O-N 3.01Å; R373-E375 VanDerWaalsContact C-N 3.34Å; R373-E377 WeakPolarHBondContact O-CB 3.24Å; R373-E377 VanDerWaalsContact O-CG 3.28Å; R373-E377 WeakPolarHBondContact O-CG 3.44Å; R373-E377 PolarHBondContact O-N 2.95Å
374	R	78.7	Confident	71.3	Confident	122 Å²	122	95.3 Å²	95.3	46%	0.46	49%	0.489	S	S	.	.	H	α-helix	trans	-71.5	-32.6	176.8	-82.8	175.2	-76.5	155.5	-5.9	111.6	M370 G371 I372 M378	M370-R374 WeakPolarHBondContact O-CG 3.46Å; M370-R374 PolarHBondContact O-N 3.21Å; M370-R374 PolarHBondContact O-NE 3.11Å; M370-R374 PolarHBondContact O-NH2 3.45Å; G371-R374 WeakPolarHBondContact O-CB 3.35Å; G371-R374 PolarHBondContact O-N 3.42Å; I372-R374 PolarHBondContact O-N 3.26Å; R374-M378 WeakPolarHBondContact O-CB 3.4Å; R374-M378 WeakPolarHBondContact O-CG 3.36Å; R374-M378 PolarHBondContact O-N 2.96Å
375	E	70.8	Confident	69.4	Low	111 Å²	111	97.4 Å²	97.4	52%	0.519	50%	0.5	S	S	.	.	H	α-helix	trans	-66.2	-50.7	172.1	-164.3	169.5	-155.1	0	0	110.1	G371 I372 R373 E377 M378 E379	G371-E375 PolarHBondContact O-N 3.01Å; I372-E375 WeakPolarHBondContact O-CB 3.16Å; I372-E375 PolarHBondContact O-N 3.49Å; R373-E375 VanDerWaalsContact C-N 3.34Å; E375-E377 PolarHBondContact O-N 3.34Å; E375-M378 PolarHBondContact O-N 3.29Å; E375-M378 VanDerWaalsContact O-N 3.11Å; E375-E379 WeakPolarHBondContact O-CG 3.28Å; E375-E379 PolarHBondContact O-N 3.45Å
376	E	66.8	Low	67.2	Low	41 Å²	41	102.4 Å²	102.4	19%	0.192	53%	0.529	C	S	.	.	H	α-helix	trans	-56	-45.1	174	-70.1	168.7	-169.7	0	0	113.1	K314 I372 M378 E379 M380	K314-E376 WeakPolarHBondContact CE-OE1 3.43Å; K314-E376 IonicContact NZ-OE1 3.85Å; K314-E376 PolarHBondContact NZ-OE1 3.48Å; K314-E376 IonicContact NZ-OE2 3.92Å; K314-E376 PolarHBondContact NZ-OE2 2.91Å; I372-E376 HydrophobicContact CG2-CG 4.49Å; I372-E376 VanDerWaalsContact CG2-OE1 3.25Å; I372-E376 WeakPolarHBondContact CG2-OE1 3.22Å; I372-E376 WeakPolarHBondContact O-CG 3.35Å; I372-E376 PolarHBondContact O-N 2.92Å; E376-M378 VanDerWaalsContact C-N 3.28Å; E376-M378 PolarHBondContact O-N 3.47Å; E376-E379 PolarHBondContact O-N 3.33Å; E376-M380 VanDerWaalsContact O-CG 3.27Å; E376-M380 WeakPolarHBondContact O-CG 3.47Å; E376-M380 PolarHBondContact O-N 2.78Å
377	E	66.5	Low	65.2	Low	141 Å²	141	107.5 Å²	107.5	66%	0.659	55%	0.552	S	S	*	*	H	α-helix	trans	-66.5	-27.2	178.4	-77.5	172.4	-170.6	0	0	113	R373 E375	R373-E377 WeakPolarHBondContact O-CB 3.24Å; R373-E377 VanDerWaalsContact O-CG 3.28Å; R373-E377 WeakPolarHBondContact O-CG 3.44Å; R373-E377 PolarHBondContact O-N 2.95Å; E375-E377 PolarHBondContact O-N 3.34Å
378	M	60.4	Low	62.8	Low	146 Å²	146	108.1 Å²	108.1	72%	0.719	56%	0.558	S	S	*	*	H	α-helix	trans	-83.1	-32.5	175.5	-70.5	175.5	-164.1	0	0	112.4	R374 E375 E376 M380	R374-M378 WeakPolarHBondContact O-CB 3.4Å; R374-M378 WeakPolarHBondContact O-CG 3.36Å; R374-M378 PolarHBondContact O-N 2.96Å; E375-M378 PolarHBondContact O-N 3.29Å; E375-M378 VanDerWaalsContact O-N 3.11Å; E376-M378 VanDerWaalsContact C-N 3.28Å; E376-M378 PolarHBondContact O-N 3.47Å; M378-M380 VanDerWaalsContact C-N 3.32Å
379	E	59.3	Low	60.6	Low	113 Å²	113	110.1 Å²	110.1	53%	0.528	58%	0.578	S	S	.	*	H	α-helix	trans	-68.7	-28.6	175	-71.9	179.9	156.5	0	0	112.4	K310 E375 E376	K310-E379 IonicContact NZ-OE1 2.82Å; K310-E379 IonicContact NZ-OE2 2.66Å; K310-E379 PolarHBondContact NZ-OE2 3.48Å; K310-E379 VanDerWaalsContact NZ-OE2 3.08Å; E375-E379 WeakPolarHBondContact O-CG 3.28Å; E375-E379 PolarHBondContact O-N 3.45Å; E376-E379 PolarHBondContact O-N 3.33Å
380	M	48	Very low	58	Low	144 Å²	144	117.6 Å²	117.6	71%	0.709	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-80	-9.5	-178.8	-71.2	-77.9	-65.6	0	0	115.2	E376 M378 D382	E376-M380 VanDerWaalsContact O-CG 3.27Å; E376-M380 WeakPolarHBondContact O-CG 3.47Å; E376-M380 PolarHBondContact O-N 2.78Å; M378-M380 VanDerWaalsContact C-N 3.32Å; M380-D382 VanDerWaalsContact C-N 3.32Å; M380-D382 PolarHBondContact O-N 2.97Å
381	S	46.7	Very low	55.6	Low	102 Å²	102	122.3 Å²	122.3	71%	0.713	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-80.1	-5.6	-171.4	-171.9	0	0	0	0	115.1
382	D	49.7	Very low	53.1	Low	149 Å²	149	131.5 Å²	131.5	80%	0.797	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-100.8	-7.8	-173.4	-136.2	17.2	0	0	0	113.4	M380	M380-D382 VanDerWaalsContact C-N 3.32Å; M380-D382 PolarHBondContact O-N 2.97Å
383	D	48.9	Very low	50.7	Low	132 Å²	132	137.8 Å²	137.8	71%	0.706	69%	0.693	S	S	*	*	S	Bend	trans	-93	-11.6	-169.8	-157.5	37.8	0	0	0	114.7	S385	D383-S385 PolarHBondContact O-N 2.89Å
384	D	45.3	Very low	48.4	Very low	169 Å²	169	142.9 Å²	142.9	90%	0.904	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	18.9	-176	-100.2	-9.4	0	0	0	114.4
385	S	49.3	Very low	46	Very low	98 Å²	98	141.3 Å²	141.3	69%	0.685	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-10.2	-175.2	-65	0	0	0	0	115.6	D383	D383-S385 PolarHBondContact O-N 2.89Å
386	D	43.7	Very low	44.2	Very low	155 Å²	155	144.4 Å²	144.4	83%	0.829	73%	0.731	S	S	*	*			trans	-100.1	17.7	-158.6	-118.9	16.4	0	0	0	116.3	I388	D386-I388 PolarHBondContact O-N 2.96Å
387	D	46.2	Very low	42.8	Very low	162 Å²	162	151 Å²	151	87%	0.866	76%	0.761	S	S	*	*			trans	-99.5	65.1	-178.1	-142.6	0.5	0	0	0	113.7
388	I	38.6	Very low	41.3	Very low	146 Å²	146	149.4 Å²	149.4	75%	0.749	76%	0.757	S	S	*	*			trans	-125.6	120	164.7	-57.5	-177.3	0	0	0	110.5	D386 N390	D386-I388 PolarHBondContact O-N 2.96Å; I388-N390 PolarHBondContact O-N 3.39Å
389	P	40.2	Very low	40.4	Very low	119 Å²	119	146.4 Å²	146.4	77%	0.773	76%	0.764	S	S	*	*			trans	-73.8	119.7	-169.4	27.8	-35	0	0	0	113.7	K391	P389-K391 PolarHBondContact O-N 2.98Å
390	N	32.7	Very low	39.4	Very low	165 Å²	165	146.7 Å²	146.7	88%	0.882	77%	0.773	S	S	*	*			trans	-49.2	126.8	178.7	-103.2	-63.8	0	0	0	115.1	I388	I388-N390 PolarHBondContact O-N 3.39Å
391	K	34.4	Very low	39.3	Very low	194 Å²	194	142.8 Å²	142.8	84%	0.843	76%	0.759	S	S	*	*			trans	-140.3	75.7	167.1	-146.9	177	-168.3	176.1	0	115.3	P389	P389-K391 PolarHBondContact O-N 2.98Å
392	R	30.8	Very low	39.4	Very low	219 Å²	219	143.3 Å²	143.3	83%	0.826	75%	0.754	S	S	*	*			trans	63.4	123.9	149.4	-61.1	-175.8	177.9	-170.5	-1.4	119.6
393	M	30.6	Very low	39.4	Very low	162 Å²	162	143.9 Å²	143.9	80%	0.798	75%	0.752	S	S	*	*			trans	61.1	133.3	143.8	-61.1	179.1	69	0	0	116.4
394	R	29	Very low	39.5	Very low	210 Å²	210	141.3 Å²	141.3	79%	0.792	74%	0.741	S	S	*	*			cis	-173.2	161.8	36	-144.5	-173.5	-171.8	-135.6	5.6	109.5
395	T	28.3	Very low	40	Very low	89 Å²	89	137 Å²	137	55%	0.546	72%	0.715	S	S	.	*			trans	70.8	101.7	146.4	-60.9	0	0	0	0	119.7
396	E	32.8	Very low	40.6	Very low	177 Å²	177	134.7 Å²	134.7	83%	0.827	70%	0.703	S	S	*	*				69.2	142.8	129.8	-63.3	171	175	0	0	123.4
397	E	38.4	Very low	41.5	Very low	178 Å²	178	130.5 Å²	130.5	83%	0.832	69%	0.685	S	S	*	*			trans	71.1	142.6	165.2	-69.4	-162.6	135	0	0	122
398	N	33.1	Very low	42.4	Very low	108 Å²	108	127.4 Å²	127.4	58%	0.578	67%	0.669	S	S	*	*			trans	75.9	72.9	162.2	-58.3	-22.8	0	0	0	120.3	V400 C401	N398-V400 PolarHBondContact O-N 2.97Å; N398-C401 HydrophobicContact CB-CB 4.04Å; N398-C401 WeakPolarHBondContact O-CB 3.25Å; N398-C401 PolarHBondContact O-N 3.39Å
399	G	41.4	Very low	44	Very low	84 Å²	84	127.9 Å²	127.9	87%	0.866	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	8.5	159.3	0	0	0	0	0	115.8
400	V	40.2	Very low	45.5	Very low	119 Å²	119	128.8 Å²	128.8	72%	0.721	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-11.2	166.7	-178.4	0	0	0	0	110.4	N398 T404	N398-V400 PolarHBondContact O-N 2.97Å; V400-T404 PolarHBondContact O-OG1 3.33Å
401	C	44	Very low	47.5	Very low	61 Å²	61	126 Å²	126	41%	0.412	64%	0.637	S	S	.	*	H	α-helix	trans	-71.1	-42.2	-175.5	-159.3	0	0	0	0	112.4	N398 Q403 T404 Q405	N398-C401 HydrophobicContact CB-CB 4.04Å; N398-C401 WeakPolarHBondContact O-CB 3.25Å; N398-C401 PolarHBondContact O-N 3.39Å; C401-Q403 PolarHBondContact O-N 2.98Å; C401-T404 CarbonylContact O-C 3.6Å; C401-T404 PolarHBondContact O-N 2.85Å; C401-Q405 VanDerWaalsContact O-CB 3.22Å; C401-Q405 WeakPolarHBondContact O-CB 3.4Å; C401-Q405 PolarHBondContact O-N 3.09Å
402	D	49.6	Very low	49.5	Very low	114 Å²	114	120.7 Å²	120.7	61%	0.61	62%	0.617	S	S	*	*	H	α-helix	trans	-63.5	-43.6	-168.4	-73.6	-41	0	0	0	114.1	T404 Q405 A406	D402-T404 VanDerWaalsContact C-N 3.32Å; D402-T404 PolarHBondContact O-N 2.87Å; D402-Q405 PolarHBondContact O-N 3.49Å; D402-A406 WeakPolarHBondContact O-CB 3.36Å; D402-A406 PolarHBondContact O-N 2.96Å
403	Q	50.1	Low	51.8	Low	161 Å²	161	113.9 Å²	113.9	75%	0.752	60%	0.597	S	S	*	*	H	α-helix	trans	-64.3	-39.5	177	-163.1	74	58.5	0	0	111.5	C401 S407	C401-Q403 PolarHBondContact O-N 2.98Å; Q403-S407 WeakPolarHBondContact O-CB 3.47Å; Q403-S407 PolarHBondContact O-N 3.32Å; Q403-S407 VanDerWaalsContact O-N 3.1Å
404	T	50.6	Low	54.1	Low	77 Å²	77	108.9 Å²	108.9	47%	0.472	58%	0.579	S	S	.	*	H	α-helix	trans	-70.3	-35.5	175.7	-46.9	0	0	0	0	111.2	V400 C401 D402 L408	V400-T404 PolarHBondContact O-OG1 3.33Å; C401-T404 CarbonylContact O-C 3.6Å; C401-T404 PolarHBondContact O-N 2.85Å; D402-T404 VanDerWaalsContact C-N 3.32Å; D402-T404 PolarHBondContact O-N 2.87Å; T404-L408 HydrophobicContact CG2-CD1 3.96Å; T404-L408 HydrophobicContact CG2-CG 4.41Å; T404-L408 WeakPolarHBondContact O-CB 3.44Å; T404-L408 WeakPolarHBondContact O-CD1 3.49Å; T404-L408 WeakPolarHBondContact O-CG 3.37Å; T404-L408 PolarHBondContact O-N 3.07Å
405	Q	55.2	Low	56.6	Low	78 Å²	78	102.6 Å²	102.6	36%	0.364	56%	0.56	S	S	.	*	H	α-helix	trans	-75.6	-34.1	179.8	-171.2	173.7	17.8	0	0	112	C401 D402 R409	C401-Q405 VanDerWaalsContact O-CB 3.22Å; C401-Q405 WeakPolarHBondContact O-CB 3.4Å; C401-Q405 PolarHBondContact O-N 3.09Å; D402-Q405 PolarHBondContact O-N 3.49Å; Q405-R409 WeakPolarHBondContact O-CB 3.35Å; Q405-R409 WeakPolarHBondContact O-CG 3.39Å; Q405-R409 PolarHBondContact O-N 3.05Å
406	A	63	Low	59.1	Low	51 Å²	51	105.3 Å²	105.3	42%	0.421	56%	0.56	S	S	.	*	H	α-helix	trans	-65.4	-50.1	170.7	0	0	0	0	0	110.6	D402 L408 R409 E410	D402-A406 WeakPolarHBondContact O-CB 3.36Å; D402-A406 PolarHBondContact O-N 2.96Å; A406-L408 PolarHBondContact O-N 3.43Å; A406-R409 WeakPolarHBondContact O-CB 3.29Å; A406-R409 PolarHBondContact O-N 2.84Å; A406-E410 PolarHBondContact O-N 2.9Å
407	S	62.4	Low	61.3	Low	66 Å²	66	106 Å²	106	46%	0.462	56%	0.556	S	S	.	*	H	α-helix	trans	-60.3	-42.4	175.6	179.1	0	0	0	0	112.4	Q403 R409 E410 E411	Q403-S407 WeakPolarHBondContact O-CB 3.47Å; Q403-S407 PolarHBondContact O-N 3.32Å; Q403-S407 VanDerWaalsContact O-N 3.1Å; S407-R409 VanDerWaalsContact C-N 3.31Å; S407-R409 PolarHBondContact O-N 2.59Å; S407-E410 PolarHBondContact O-N 2.68Å; S407-E411 WeakPolarHBondContact O-CB 3.37Å; S407-E411 PolarHBondContact O-N 3.12Å
408	L	65.1	Low	63.1	Low	98 Å²	98	102.3 Å²	102.3	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-68.9	-24.3	174.6	-74.2	170.3	0	0	0	113.4	T404 A406 N412	T404-L408 HydrophobicContact CG2-CD1 3.96Å; T404-L408 HydrophobicContact CG2-CG 4.41Å; T404-L408 WeakPolarHBondContact O-CB 3.44Å; T404-L408 WeakPolarHBondContact O-CD1 3.49Å; T404-L408 WeakPolarHBondContact O-CG 3.37Å; T404-L408 PolarHBondContact O-N 3.07Å; A406-L408 PolarHBondContact O-N 3.43Å; L408-N412 VanDerWaalsContact O-CB 3.3Å; L408-N412 WeakPolarHBondContact O-CB 3.42Å; L408-N412 PolarHBondContact O-N 3.09Å
409	R	73.1	Confident	65.2	Low	155 Å²	155	102.8 Å²	102.8	59%	0.585	54%	0.54	S	S	*	.	H	α-helix	trans	-75.1	-46.8	171.9	-81	174.4	-171	-148.3	10.8	110.9	Q405 A406 S407 E411 N412 D413	Q405-R409 WeakPolarHBondContact O-CB 3.35Å; Q405-R409 WeakPolarHBondContact O-CG 3.39Å; Q405-R409 PolarHBondContact O-N 3.05Å; A406-R409 WeakPolarHBondContact O-CB 3.29Å; A406-R409 PolarHBondContact O-N 2.84Å; S407-R409 VanDerWaalsContact C-N 3.31Å; S407-R409 PolarHBondContact O-N 2.59Å; R409-E411 VanDerWaalsContact C-N 3.29Å; R409-E411 PolarHBondContact O-N 3.2Å; R409-N412 CarbonylContact O-C 3.59Å; R409-N412 WeakPolarHBondContact O-CA 3.36Å; R409-N412 WeakPolarHBondContact O-CB 3.48Å; R409-N412 PolarHBondContact O-N 3Å; R409-D413 PolarHBondContact O-N 3.33Å
410	E	71.5	Confident	67	Low	138 Å²	138	102.8 Å²	102.8	65%	0.645	52%	0.52	S	S	*	.	H	α-helix	trans	-59.5	-40.5	174.9	-173.4	-179.2	-166.3	0	0	111.7	A406 S407 D413 S414	A406-E410 PolarHBondContact O-N 2.9Å; S407-E410 PolarHBondContact O-N 2.68Å; E410-D413 PolarHBondContact O-N 3.36Å; E410-S414 VanDerWaalsContact O-CB 3.31Å; E410-S414 WeakPolarHBondContact O-CB 3.36Å; E410-S414 PolarHBondContact O-N 2.89Å; E410-S414 PolarHBondContact O-OG 2.79Å
411	E	73.2	Confident	68.9	Low	108 Å²	108	99.8 Å²	99.8	51%	0.505	51%	0.508	S	S	.	.	H	α-helix	trans	-65.9	-40.7	170.9	-168.2	179.6	-172.9	0	0	111.4	S407 R409 D413 S414 L415	S407-E411 WeakPolarHBondContact O-CB 3.37Å; S407-E411 PolarHBondContact O-N 3.12Å; R409-E411 VanDerWaalsContact C-N 3.29Å; R409-E411 PolarHBondContact O-N 3.2Å; E411-D413 PolarHBondContact O-N 3.4Å; E411-S414 PolarHBondContact O-N 3.41Å; E411-L415 HydrophobicContact CG-CD1 4.1Å; E411-L415 VanDerWaalsContact O-CB 3.3Å; E411-L415 WeakPolarHBondContact O-CB 3.43Å; E411-L415 WeakPolarHBondContact O-CG 3.39Å; E411-L415 PolarHBondContact O-N 2.72Å
412	N	77	Confident	70.5	Confident	81 Å²	81	103 Å²	103	43%	0.433	51%	0.512	S	S	.	.	H	α-helix	trans	-63.9	-40.6	175.9	-153.1	-104	0	0	0	112.4	L408 R409 L415 R416	L408-N412 VanDerWaalsContact O-CB 3.3Å; L408-N412 WeakPolarHBondContact O-CB 3.42Å; L408-N412 PolarHBondContact O-N 3.09Å; R409-N412 CarbonylContact O-C 3.59Å; R409-N412 WeakPolarHBondContact O-CA 3.36Å; R409-N412 WeakPolarHBondContact O-CB 3.48Å; R409-N412 PolarHBondContact O-N 3Å; N412-L415 PolarHBondContact O-N 3.09Å; N412-R416 WeakPolarHBondContact O-CB 3.37Å; N412-R416 WeakPolarHBondContact O-CD 3.47Å; N412-R416 WeakPolarHBondContact O-CG 3.28Å; N412-R416 PolarHBondContact O-N 2.87Å; N412-R416 PolarHBondContact OD1-NE 2.98Å
413	D	78.4	Confident	72.1	Confident	76 Å²	76	105.2 Å²	105.2	41%	0.406	51%	0.512	S	S	.	.	H	α-helix	trans	-74	-37	-179.6	-72.6	-29.7	0	0	0	111.4	R409 E410 E411 R416 W417	R409-D413 PolarHBondContact O-N 3.33Å; E410-D413 PolarHBondContact O-N 3.36Å; E411-D413 PolarHBondContact O-N 3.4Å; D413-R416 WeakPolarHBondContact O-CB 3.46Å; D413-R416 PolarHBondContact O-N 3.42Å; D413-R416 VanDerWaalsContact OD1-CD 3.28Å; D413-R416 WeakPolarHBondContact OD1-CD 3.37Å; D413-R416 IonicContact OD1-NE 3.19Å; D413-W417 PolarHBondContact O-N 2.97Å
414	S	79.8	Confident	73.3	Confident	58 Å²	58	102.8 Å²	102.8	41%	0.406	51%	0.505	S	S	.	.	H	α-helix	trans	-59.8	-46.8	167.6	-65.9	0	0	0	0	111.7	E410 E411 R416 W417 Q418	E410-S414 VanDerWaalsContact O-CB 3.31Å; E410-S414 WeakPolarHBondContact O-CB 3.36Å; E410-S414 PolarHBondContact O-N 2.89Å; E410-S414 PolarHBondContact O-OG 2.79Å; E411-S414 PolarHBondContact O-N 3.41Å; S414-R416 VanDerWaalsContact C-N 3.32Å; S414-R416 PolarHBondContact O-N 3.47Å; S414-W417 PolarHBondContact O-N 3.19Å; S414-Q418 WeakPolarHBondContact O-CB 3.4Å; S414-Q418 PolarHBondContact O-N 2.79Å
415	L	81.9	Confident	74.7	Confident	78 Å²	78	104.3 Å²	104.3	41%	0.408	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-33.1	175.8	-72.3	169.4	0	0	0	112.2	E411 N412 L419	E411-L415 HydrophobicContact CG-CD1 4.1Å; E411-L415 VanDerWaalsContact O-CB 3.3Å; E411-L415 WeakPolarHBondContact O-CB 3.43Å; E411-L415 WeakPolarHBondContact O-CG 3.39Å; E411-L415 PolarHBondContact O-N 2.72Å; N412-L415 PolarHBondContact O-N 3.09Å; L415-L419 VanDerWaalsContact O-CB 3.28Å; L415-L419 WeakPolarHBondContact O-CB 3.46Å; L415-L419 WeakPolarHBondContact O-CG 3.5Å; L415-L419 PolarHBondContact O-N 2.66Å
416	R	81.1	Confident	75.6	Confident	146 Å²	146	104 Å²	104	55%	0.551	51%	0.51	S	S	*	.	H	α-helix	trans	-65.8	-48.5	173.2	-78.8	158.4	164.5	-97.1	-1.6	111.6	N412 D413 S414 Q418 L419 D420	N412-R416 WeakPolarHBondContact O-CB 3.37Å; N412-R416 WeakPolarHBondContact O-CD 3.47Å; N412-R416 WeakPolarHBondContact O-CG 3.28Å; N412-R416 PolarHBondContact O-N 2.87Å; N412-R416 PolarHBondContact OD1-NE 2.98Å; D413-R416 WeakPolarHBondContact O-CB 3.46Å; D413-R416 PolarHBondContact O-N 3.42Å; D413-R416 VanDerWaalsContact OD1-CD 3.28Å; D413-R416 WeakPolarHBondContact OD1-CD 3.37Å; D413-R416 IonicContact OD1-NE 3.19Å; S414-R416 VanDerWaalsContact C-N 3.32Å; S414-R416 PolarHBondContact O-N 3.47Å; R416-Q418 VanDerWaalsContact C-N 3.3Å; R416-Q418 PolarHBondContact O-N 3.44Å; R416-L419 PolarHBondContact O-N 3.1Å; R416-D420 PolarHBondContact O-N 2.91Å
417	W	77.6	Confident	76.3	Confident	192 Å²	192	107.3 Å²	107.3	73%	0.727	52%	0.516	S	S	*	.	H	α-helix	trans	-62.3	-39.1	175.3	-66.9	-25	0	0	0	111.9	D413 S414 D420 A421	D413-W417 PolarHBondContact O-N 2.97Å; S414-W417 PolarHBondContact O-N 3.19Å; W417-D420 PolarHBondContact O-N 3.13Å; W417-A421 WeakPolarHBondContact O-CB 3.46Å; W417-A421 PolarHBondContact O-N 2.89Å
418	Q	76.3	Confident	76.9	Confident	100 Å²	100	109.9 Å²	109.9	47%	0.467	52%	0.524	S	S	.	.	H	α-helix	trans	-67.4	-38.5	176	-157.1	176.6	18.2	0	0	111.9	S414 R416 A421 Y422	S414-Q418 WeakPolarHBondContact O-CB 3.4Å; S414-Q418 PolarHBondContact O-N 2.79Å; R416-Q418 VanDerWaalsContact C-N 3.3Å; R416-Q418 PolarHBondContact O-N 3.44Å; Q418-A421 PolarHBondContact O-N 2.86Å; Q418-Y422 HydrophobicContact CG-CD2 4.27Å; Q418-Y422 HydrophobicContact CG-CE2 3.77Å; Q418-Y422 WeakPolarHBondContact O-CD2 3.48Å; Q418-Y422 PolarHBondContact O-N 2.88Å
419	L	78.4	Confident	77	Confident	118 Å²	118	109.9 Å²	109.9	62%	0.618	52%	0.524	S	S	*	.	H	α-helix	trans	-67.3	-39.9	173.2	-77.9	170.5	0	0	0	112.6	L415 R416 Y422 R423	L415-L419 VanDerWaalsContact O-CB 3.28Å; L415-L419 WeakPolarHBondContact O-CB 3.46Å; L415-L419 WeakPolarHBondContact O-CG 3.5Å; L415-L419 PolarHBondContact O-N 2.66Å; R416-L419 PolarHBondContact O-N 3.1Å; L419-Y422 PolarHBondContact O-N 2.97Å; L419-R423 WeakPolarHBondContact O-CB 2.98Å; L419-R423 PolarHBondContact O-N 3.18Å
420	D	79.1	Confident	76.8	Confident	83 Å²	83	108.7 Å²	108.7	44%	0.444	52%	0.523	S	S	.	.	H	α-helix	trans	-70.8	-31.3	175.1	-86.5	-18.8	0	0	0	112.1	R416 W417 R423 N424	R416-D420 PolarHBondContact O-N 2.91Å; W417-D420 PolarHBondContact O-N 3.13Å; D420-R423 PolarHBondContact O-N 3.43Å; D420-R423 IonicContact OD1-NH1 2.79Å; D420-N424 WeakPolarHBondContact O-CB 3.39Å; D420-N424 PolarHBondContact O-N 3.43Å
421	A	80	Confident	76.5	Confident	57 Å²	57	108.8 Å²	108.8	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-62.4	-51.3	168.9	0	0	0	0	0	111.4	W417 Q418 R423 N424 E425	W417-A421 WeakPolarHBondContact O-CB 3.46Å; W417-A421 PolarHBondContact O-N 2.89Å; Q418-A421 PolarHBondContact O-N 2.86Å; A421-R423 VanDerWaalsContact C-N 3.27Å; A421-R423 PolarHBondContact O-N 3.04Å; A421-N424 PolarHBondContact O-N 3.29Å; A421-E425 PolarHBondContact O-N 3.49Å
422	Y	77.2	Confident	75.8	Confident	127 Å²	127	109.5 Å²	109.5	50%	0.498	53%	0.525	S	S	.	.	H	α-helix	trans	-63.2	-31.6	174.3	-70.9	-48.7	0	0	0	112.8	Q418 L419 E425 V426	Q418-Y422 HydrophobicContact CG-CD2 4.27Å; Q418-Y422 HydrophobicContact CG-CE2 3.77Å; Q418-Y422 WeakPolarHBondContact O-CD2 3.48Å; Q418-Y422 PolarHBondContact O-N 2.88Å; L419-Y422 PolarHBondContact O-N 2.97Å; Y422-E425 PolarHBondContact O-N 3.35Å; Y422-V426 WeakPolarHBondContact O-CB 3.39Å; Y422-V426 VanDerWaalsContact O-CG2 3.24Å; Y422-V426 WeakPolarHBondContact O-CG2 3.4Å; Y422-V426 PolarHBondContact O-N 2.98Å
423	R	82.4	Confident	74.6	Confident	162 Å²	162	112.6 Å²	112.6	61%	0.611	54%	0.537	S	S	*	.	H	α-helix	trans	-68.7	-42.5	176.1	-168.9	179.4	-169	166.6	3.6	111.5	L419 D420 A421 V426 E427	L419-R423 WeakPolarHBondContact O-CB 2.98Å; L419-R423 PolarHBondContact O-N 3.18Å; D420-R423 PolarHBondContact O-N 3.43Å; D420-R423 IonicContact OD1-NH1 2.79Å; A421-R423 VanDerWaalsContact C-N 3.27Å; A421-R423 PolarHBondContact O-N 3.04Å; R423-V426 PolarHBondContact O-N 2.94Å; R423-E427 PolarHBondContact O-N 3.46Å
424	N	76.5	Confident	73.2	Confident	110 Å²	110	113.5 Å²	113.5	59%	0.588	55%	0.549	S	S	*	.	H	α-helix	trans	-62.6	-42.3	171.5	-83.1	-23.4	0	0	0	111.5	D420 A421 E427 L428	D420-N424 WeakPolarHBondContact O-CB 3.39Å; D420-N424 PolarHBondContact O-N 3.43Å; A421-N424 PolarHBondContact O-N 3.29Å; N424-E427 PolarHBondContact O-N 2.92Å; N424-L428 WeakPolarHBondContact O-CB 3.33Å; N424-L428 PolarHBondContact O-N 2.89Å
425	E	80.4	Confident	72	Confident	109 Å²	109	121.2 Å²	121.2	51%	0.509	57%	0.569	S	S	.	*	H	α-helix	trans	-64.8	-42.3	177	-167.7	173.4	-148.4	0	0	111.6	A421 Y422 L428 L429	A421-E425 PolarHBondContact O-N 3.49Å; Y422-E425 PolarHBondContact O-N 3.35Å; E425-L428 WeakPolarHBondContact O-CB 3.44Å; E425-L428 PolarHBondContact O-N 3.47Å; E425-L429 HydrophobicContact CG-CD1 4.45Å; E425-L429 WeakPolarHBondContact O-CB 3.41Å; E425-L429 WeakPolarHBondContact O-CG 3.28Å; E425-L429 PolarHBondContact O-N 3.39Å
426	V	73.9	Confident	70.4	Confident	71 Å²	71	121.7 Å²	121.7	43%	0.43	58%	0.584	S	S	.	*	H	α-helix	trans	-66.5	-34.9	172.9	168.1	0	0	0	0	112.2	Y422 R423 K430	Y422-V426 WeakPolarHBondContact O-CB 3.39Å; Y422-V426 VanDerWaalsContact O-CG2 3.24Å; Y422-V426 WeakPolarHBondContact O-CG2 3.4Å; Y422-V426 PolarHBondContact O-N 2.98Å; R423-V426 PolarHBondContact O-N 2.94Å; V426-K430 HydrophobicContact CG1-CD 4.26Å; V426-K430 VanDerWaalsContact O-CB 3.28Å; V426-K430 WeakPolarHBondContact O-CB 3.31Å; V426-K430 VanDerWaalsContact O-CG 3.28Å; V426-K430 WeakPolarHBondContact O-CG 3.46Å; V426-K430 PolarHBondContact O-N 3Å
427	E	76.3	Confident	68.7	Low	120 Å²	120	117.2 Å²	117.2	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-67.3	-37.3	170.1	-80	-161.2	171.5	0	0	112.1	R423 N424 K430 K431	R423-E427 PolarHBondContact O-N 3.46Å; N424-E427 PolarHBondContact O-N 2.92Å; E427-K430 PolarHBondContact O-N 3.36Å; E427-K431 WeakPolarHBondContact O-CB 3.37Å; E427-K431 PolarHBondContact O-N 3.05Å
428	L	75	Confident	67	Low	121 Å²	121	119.7 Å²	119.7	63%	0.634	59%	0.593	S	S	*	*	H	α-helix	trans	-62.2	-50	174.5	-147.6	78.3	0	0	0	110.7	N424 E425 K430 K431 E432	N424-L428 WeakPolarHBondContact O-CB 3.33Å; N424-L428 PolarHBondContact O-N 2.89Å; E425-L428 WeakPolarHBondContact O-CB 3.44Å; E425-L428 PolarHBondContact O-N 3.47Å; L428-K430 PolarHBondContact O-N 3.33Å; L428-K431 CarbonylContact O-C 3.47Å; L428-K431 WeakPolarHBondContact O-CB 3.34Å; L428-K431 PolarHBondContact O-N 3.27Å; L428-K431 VanDerWaalsContact O-N 3.1Å; L428-E432 WeakPolarHBondContact O-CB 3.36Å; L428-E432 PolarHBondContact O-N 2.85Å
429	L	68.1	Low	65.7	Low	98 Å²	98	119.9 Å²	119.9	51%	0.513	60%	0.603	S	S	.	*	H	α-helix	trans	-63.5	-38.7	176.8	-70	168.9	0	0	0	112.1	E425 K431 E432 Q433	E425-L429 HydrophobicContact CG-CD1 4.45Å; E425-L429 WeakPolarHBondContact O-CB 3.41Å; E425-L429 WeakPolarHBondContact O-CG 3.28Å; E425-L429 PolarHBondContact O-N 3.39Å; L429-K431 VanDerWaalsContact C-N 3.35Å; L429-E432 PolarHBondContact O-N 3.26Å; L429-Q433 VanDerWaalsContact O-CB 3.26Å; L429-Q433 WeakPolarHBondContact O-CB 3.49Å; L429-Q433 PolarHBondContact O-N 3.4Å
430	K	69.1	Low	63.7	Low	129 Å²	129	121 Å²	121	56%	0.561	61%	0.609	S	S	*	*	H	α-helix	trans	-65.2	-37.4	171.4	-81.2	176.9	178.3	176	0	112.1	V426 E427 L428 S434	V426-K430 HydrophobicContact CG1-CD 4.26Å; V426-K430 VanDerWaalsContact O-CB 3.28Å; V426-K430 WeakPolarHBondContact O-CB 3.31Å; V426-K430 VanDerWaalsContact O-CG 3.28Å; V426-K430 WeakPolarHBondContact O-CG 3.46Å; V426-K430 PolarHBondContact O-N 3Å; E427-K430 PolarHBondContact O-N 3.36Å; L428-K430 PolarHBondContact O-N 3.33Å; K430-S434 WeakPolarHBondContact O-CB 3.4Å; K430-S434 PolarHBondContact O-N 2.7Å; K430-S434 PolarHBondContact O-OG 2.94Å
431	K	64.9	Low	61.7	Low	140 Å²	140	124 Å²	124	61%	0.609	63%	0.625	S	S	*	*	H	α-helix	trans	-71.9	-31.4	178.7	-165.2	173.6	-170.7	173.3	0	111.8	E427 L428 L429 R435	E427-K431 WeakPolarHBondContact O-CB 3.37Å; E427-K431 PolarHBondContact O-N 3.05Å; L428-K431 CarbonylContact O-C 3.47Å; L428-K431 WeakPolarHBondContact O-CB 3.34Å; L428-K431 PolarHBondContact O-N 3.27Å; L428-K431 VanDerWaalsContact O-N 3.1Å; L429-K431 VanDerWaalsContact C-N 3.35Å; K431-R435 WeakPolarHBondContact O-CG 3.44Å; K431-R435 PolarHBondContact O-N 3.41Å
432	E	58.5	Low	59.6	Low	124 Å²	124	127.3 Å²	127.3	58%	0.579	64%	0.635	S	S	*	*	H	α-helix	trans	-71.9	-47.4	170.9	-167.6	164.1	-135.9	0	0	111.4	L428 L429 S434 R435 A436	L428-E432 WeakPolarHBondContact O-CB 3.36Å; L428-E432 PolarHBondContact O-N 2.85Å; L429-E432 PolarHBondContact O-N 3.26Å; E432-S434 VanDerWaalsContact C-N 3.34Å; E432-S434 PolarHBondContact O-N 3.15Å; E432-R435 WeakPolarHBondContact O-CB 3.36Å; E432-R435 PolarHBondContact O-N 2.98Å; E432-A436 PolarHBondContact O-N 3.5Å; E432-A436 VanDerWaalsContact O-N 3.12Å
433	Q	51.5	Low	57.6	Low	146 Å²	146	128.7 Å²	128.7	68%	0.682	65%	0.646	S	S	*	*	H	α-helix	trans	-65.5	-34	175.4	-168.4	169.7	64.7	0	0	112.8	L429 R435 A436 G437	L429-Q433 VanDerWaalsContact O-CB 3.26Å; L429-Q433 WeakPolarHBondContact O-CB 3.49Å; L429-Q433 PolarHBondContact O-N 3.4Å; Q433-R435 PolarHBondContact O-N 3.05Å; Q433-A436 PolarHBondContact O-N 3.15Å; Q433-A436 VanDerWaalsContact O-N 3.11Å; Q433-G437 PolarHBondContact O-N 3.28Å; Q433-G437 VanDerWaalsContact O-N 3.12Å
434	S	50.2	Low	55.5	Low	95 Å²	95	125 Å²	125	66%	0.664	65%	0.65	S	S	*	*	H	α-helix	trans	-68.8	-21.5	172.9	-60.8	0	0	0	0	113.1	K430 E432	K430-S434 WeakPolarHBondContact O-CB 3.4Å; K430-S434 PolarHBondContact O-N 2.7Å; K430-S434 PolarHBondContact O-OG 2.94Å; E432-S434 VanDerWaalsContact C-N 3.34Å; E432-S434 PolarHBondContact O-N 3.15Å
435	R	53.3	Low	53.7	Low	220 Å²	220	128 Å²	128	83%	0.83	66%	0.66	S	S	*	*	H	α-helix	trans	-83.4	-23	170	-77.1	175.3	169	-169.2	-4	112.6	K431 E432 Q433	K431-R435 WeakPolarHBondContact O-CG 3.44Å; K431-R435 PolarHBondContact O-N 3.41Å; E432-R435 WeakPolarHBondContact O-CB 3.36Å; E432-R435 PolarHBondContact O-N 2.98Å; Q433-R435 PolarHBondContact O-N 3.05Å
436	A	49.3	Very low	51.8	Low	87 Å²	87	128.1 Å²	128.1	72%	0.719	67%	0.668	S	S	*	*	H	α-helix	trans	-89.5	-11.5	178.5	0	0	0	0	0	114.5	E432 Q433	E432-A436 PolarHBondContact O-N 3.5Å; E432-A436 VanDerWaalsContact O-N 3.12Å; Q433-A436 PolarHBondContact O-N 3.15Å; Q433-A436 VanDerWaalsContact O-N 3.11Å
437	G	44.4	Very low	50.2	Low	52 Å²	52	132.1 Å²	132.1	54%	0.536	69%	0.686	S	S	.	*			trans	-117.7	67.9	-167.5	0	0	0	0	0	116.5	Q433	Q433-G437 PolarHBondContact O-N 3.28Å; Q433-G437 VanDerWaalsContact O-N 3.12Å
438	R	41.8	Very low	48.9	Very low	244 Å²	244	131.5 Å²	131.5	92%	0.921	69%	0.693	S	S	*	*			trans	-147.9	106.7	156.5	-76.4	-162	179.7	-134.8	0.2	111.5
439	P	48.5	Very low	47.3	Very low	105 Å²	105	133.2 Å²	133.2	68%	0.682	70%	0.697	S	S	*	*			trans	-88.9	153.9	161.4	34.8	-29.6	0	0	0	111.3
440	D	38.2	Very low	46.3	Very low	141 Å²	141	134.4 Å²	134.4	75%	0.754	71%	0.709	S	S	*	*			trans	61.5	122.3	160.5	-45.3	-17.4	0	0	0	116.6
441	D	36.9	Very low	45.4	Very low	145 Å²	145	136.2 Å²	136.2	78%	0.775	72%	0.719	S	S	*	*			cis	-138.5	-169	-5.1	-65.7	-59.8	0	0	0	107.3
442	D	35.1	Very low	44.6	Very low	127 Å²	127	132.9 Å²	132.9	68%	0.679	72%	0.717	S	S	*	*			cis	-164.3	178.4	12.4	-155.1	-9.4	0	0	0	111.9
443	H	35.8	Very low	44.2	Very low	157 Å²	157	133 Å²	133	73%	0.727	72%	0.718	S	S	*	*			trans	51	84.3	160	-74.5	90.3	0	0	0	120.1
444	A	38.5	Very low	44.4	Very low	84 Å²	84	129.6 Å²	129.6	69%	0.694	71%	0.71	S	S	*	*				90.6	135.8	119	0	0	0	0	0	123
445	H	39.1	Very low	44.7	Very low	173 Å²	173	127.5 Å²	127.5	80%	0.801	70%	0.699	S	S	*	*			trans	87.2	89.3	152.1	-71.6	-56.4	0	0	0	123
446	T	39.5	Very low	45.2	Very low	111 Å²	111	122.2 Å²	122.2	68%	0.681	68%	0.683	S	S	*	*				93.8	128.7	117.1	-42	0	0	0	0	120.5
447	L	40.3	Very low	46.1	Very low	155 Å²	155	120.6 Å²	120.6	81%	0.812	67%	0.67	S	S	*	*			trans	82.4	134.3	163.2	-77.9	153.7	0	0	0	120.4
448	P	48.6	Very low	47.3	Very low	107 Å²	107	124.7 Å²	124.7	70%	0.695	68%	0.675	S	S	*	*			trans	-113.6	103.8	-174.8	37.7	-23.4	0	0	0	113.8
449	H	42.1	Very low	48.7	Very low	157 Å²	157	117.7 Å²	117.7	73%	0.727	66%	0.655	S	S	*	*			trans	-145.8	0.6	173.6	-92.3	-65.2	0	0	0	116.6
450	T	47.8	Very low	49.9	Very low	124 Å²	124	118.3 Å²	118.3	76%	0.761	65%	0.649	S	S	*	*	S	Bend	trans	-91.5	-19.7	-168.9	46.9	0	0	0	0	115.7
451	H	48.6	Very low	51.9	Low	166 Å²	166	118 Å²	118	77%	0.769	65%	0.647	S	S	*	*	H	α-helix	trans	-80.5	-30	-170.7	-123.4	-64.2	0	0	0	114.8
452	A	48.8	Very low	53.7	Low	70 Å²	70	116.9 Å²	116.9	58%	0.579	64%	0.64	S	S	*	*	H	α-helix	trans	-68.9	-45	-178.2	0	0	0	0	0	112.2	S454 A455 E456	A452-S454 PolarHBondContact O-N 3.15Å; A452-A455 PolarHBondContact O-N 3.42Å; A452-A455 VanDerWaalsContact O-N 3.13Å; A452-E456 PolarHBondContact O-N 2.97Å
453	H	49.9	Very low	55.5	Low	128 Å²	128	116.9 Å²	116.9	59%	0.593	64%	0.636	S	S	*	*	H	α-helix	trans	-61.6	-27.6	179	-69.1	-52.8	0	0	0	113.4	E456 A457	H453-E456 IonicContact ND1-OE2 3.91Å; H453-A457 VanDerWaalsContact O-CB 3.28Å; H453-A457 WeakPolarHBondContact O-CB 3.49Å; H453-A457 PolarHBondContact O-N 3.42Å; H453-A457 VanDerWaalsContact O-N 3.09Å
454	S	56.8	Low	57.6	Low	74 Å²	74	114.5 Å²	114.5	52%	0.517	63%	0.625	S	S	.	*	H	α-helix	trans	-70.9	-39.4	175.2	-171.1	0	0	0	0	112.7	A452 Q458	A452-S454 PolarHBondContact O-N 3.15Å; S454-Q458 WeakPolarHBondContact O-CB 3.27Å; S454-Q458 PolarHBondContact O-N 2.97Å
455	A	54.9	Low	59.5	Low	51 Å²	51	113.6 Å²	113.6	42%	0.421	61%	0.613	S	S	.	*	H	α-helix	trans	-73.4	-39.2	179.1	0	0	0	0	0	111.1	A452 Q458 I459	A452-A455 PolarHBondContact O-N 3.42Å; A452-A455 VanDerWaalsContact O-N 3.13Å; A455-Q458 PolarHBondContact O-N 3.42Å; A455-I459 WeakPolarHBondContact O-CG1 3.49Å; A455-I459 PolarHBondContact O-N 3.38Å
456	E	64.7	Low	61.3	Low	108 Å²	108	110.9 Å²	110.9	51%	0.505	60%	0.602	S	S	.	*	H	α-helix	trans	-65.3	-41.5	178.3	-162.5	168	-140.8	0	0	111.9	A452 H453 Q458 I459 Q460	A452-E456 PolarHBondContact O-N 2.97Å; H453-E456 IonicContact ND1-OE2 3.91Å; E456-Q458 VanDerWaalsContact C-N 3.35Å; E456-Q458 PolarHBondContact O-N 3.42Å; E456-I459 PolarHBondContact O-N 3.45Å; E456-Q460 WeakPolarHBondContact O-CG 3.44Å; E456-Q460 PolarHBondContact O-N 3.47Å
457	A	68.6	Low	63.4	Low	53 Å²	53	110.7 Å²	110.7	44%	0.438	59%	0.594	S	S	.	*	H	α-helix	trans	-64.1	-36.5	172.1	0	0	0	0	0	113	H453 Q460 L461	H453-A457 VanDerWaalsContact O-CB 3.28Å; H453-A457 WeakPolarHBondContact O-CB 3.49Å; H453-A457 PolarHBondContact O-N 3.42Å; H453-A457 VanDerWaalsContact O-N 3.09Å; A457-Q460 PolarHBondContact O-N 2.98Å; A457-L461 PolarHBondContact O-N 3.28Å
458	Q	68.4	Low	65.5	Low	139 Å²	139	107.2 Å²	107.2	65%	0.65	58%	0.576	S	S	*	*	H	α-helix	trans	-70	-36.7	178.3	-161.8	170.6	14.7	0	0	111.8	S454 A455 E456 L461 L462	S454-Q458 WeakPolarHBondContact O-CB 3.27Å; S454-Q458 PolarHBondContact O-N 2.97Å; A455-Q458 PolarHBondContact O-N 3.42Å; E456-Q458 VanDerWaalsContact C-N 3.35Å; E456-Q458 PolarHBondContact O-N 3.42Å; Q458-L461 PolarHBondContact O-N 3.46Å; Q458-L462 PolarHBondContact O-N 3.4Å; Q458-L462 VanDerWaalsContact O-N 3.11Å
459	I	71.7	Confident	67	Low	96 Å²	96	106.7 Å²	106.7	49%	0.492	57%	0.565	S	S	.	*	H	α-helix	trans	-65.7	-43.6	172	-68.9	165.1	0	0	0	111	A455 E456 L461 L462 Q463	A455-I459 WeakPolarHBondContact O-CG1 3.49Å; A455-I459 PolarHBondContact O-N 3.38Å; E456-I459 PolarHBondContact O-N 3.45Å; I459-L461 VanDerWaalsContact C-N 3.34Å; I459-L461 PolarHBondContact O-N 3.16Å; I459-L462 PolarHBondContact O-N 3.3Å; I459-Q463 HydrophobicContact CG2-CG 4.37Å; I459-Q463 WeakPolarHBondContact O-CB 3.43Å; I459-Q463 WeakPolarHBondContact O-CG 3.35Å; I459-Q463 PolarHBondContact O-N 3.46Å
460	Q	74.5	Confident	68.9	Low	118 Å²	118	105 Å²	105	55%	0.551	56%	0.558	S	S	*	*	H	α-helix	trans	-61.2	-41.2	176.5	-73.5	173.8	15.1	0	0	112	E456 A457 L462 Q463 Q464	E456-Q460 WeakPolarHBondContact O-CG 3.44Å; E456-Q460 PolarHBondContact O-N 3.47Å; A457-Q460 PolarHBondContact O-N 2.98Å; Q460-L462 PolarHBondContact O-N 2.88Å; Q460-Q463 PolarHBondContact O-N 2.9Å; Q460-Q464 WeakPolarHBondContact O-CB 3.42Å; Q460-Q464 PolarHBondContact O-N 2.91Å
461	L	79.1	Confident	70.7	Confident	136 Å²	136	105 Å²	105	71%	0.712	55%	0.549	S	S	*	.	H	α-helix	trans	-63.6	-40.7	176.4	-152.3	86.8	0	0	0	111.9	A457 Q458 I459 Q464 S465	A457-L461 PolarHBondContact O-N 3.28Å; Q458-L461 PolarHBondContact O-N 3.46Å; I459-L461 VanDerWaalsContact C-N 3.34Å; I459-L461 PolarHBondContact O-N 3.16Å; L461-Q464 PolarHBondContact O-N 2.74Å; L461-S465 WeakPolarHBondContact O-CB 3.23Å; L461-S465 PolarHBondContact O-N 3.22Å
462	L	74.3	Confident	72.4	Confident	121 Å²	121	103.3 Å²	103.3	63%	0.634	54%	0.541	S	S	*	.	H	α-helix	trans	-68.5	-39.8	177.6	-163.2	74.5	0	0	0	111.8	Q458 I459 Q460 S465 M466	Q458-L462 PolarHBondContact O-N 3.4Å; Q458-L462 VanDerWaalsContact O-N 3.11Å; I459-L462 PolarHBondContact O-N 3.3Å; Q460-L462 PolarHBondContact O-N 2.88Å; L462-S465 PolarHBondContact O-N 3.4Å; L462-M466 WeakPolarHBondContact O-CB 3.43Å; L462-M466 WeakPolarHBondContact O-CG 3.32Å; L462-M466 PolarHBondContact O-N 3.41Å
463	Q	74.5	Confident	74.1	Confident	127 Å²	127	105.1 Å²	105.1	59%	0.593	54%	0.541	S	S	*	.	H	α-helix	trans	-63.1	-41.7	173.5	-75.4	177.1	-15.8	0	0	111.8	I459 Q460 M466 H467	I459-Q463 HydrophobicContact CG2-CG 4.37Å; I459-Q463 WeakPolarHBondContact O-CB 3.43Å; I459-Q463 WeakPolarHBondContact O-CG 3.35Å; I459-Q463 PolarHBondContact O-N 3.46Å; Q460-Q463 PolarHBondContact O-N 2.9Å; Q463-M466 PolarHBondContact O-N 3.02Å; Q463-H467 WeakPolarHBondContact O-CB 3.41Å; Q463-H467 PolarHBondContact O-N 3.4Å
464	Q	79.9	Confident	75.9	Confident	107 Å²	107	103.9 Å²	103.9	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-63.6	-42.7	174.5	-172.8	66.6	65.7	0	0	111.7	Q460 L461 H467 N468	Q460-Q464 WeakPolarHBondContact O-CB 3.42Å; Q460-Q464 PolarHBondContact O-N 2.91Å; L461-Q464 PolarHBondContact O-N 2.74Å; Q464-H467 PolarHBondContact O-N 2.89Å; Q464-N468 PolarHBondContact NE2-OD1 2.89Å; Q464-N468 PolarHBondContact O-N 3.15Å; Q464-N468 PolarHBondContact O-OD1 3.21Å; Q464-N468 VanDerWaalsContact O-OD1 3.1Å
465	S	78.1	Confident	77.3	Confident	64 Å²	64	102.3 Å²	102.3	45%	0.448	53%	0.527	S	S	.	.	H	α-helix	trans	-64.1	-44.6	177.2	-179.8	0	0	0	0	112.1	L461 L462 H467 N468 M469	L461-S465 WeakPolarHBondContact O-CB 3.23Å; L461-S465 PolarHBondContact O-N 3.22Å; L462-S465 PolarHBondContact O-N 3.4Å; S465-H467 VanDerWaalsContact C-N 3.34Å; S465-H467 PolarHBondContact O-N 3.13Å; S465-N468 PolarHBondContact O-N 2.94Å; S465-M469 WeakPolarHBondContact O-CB 3.37Å; S465-M469 PolarHBondContact O-N 3.15Å
466	M	76.4	Confident	78.8	Confident	116 Å²	116	104 Å²	104	57%	0.571	53%	0.529	S	S	*	.	H	α-helix	trans	-59.2	-42.2	173.2	-78.3	-70.4	-63.6	0	0	112.3	L462 Q463 M469 Q470	L462-M466 WeakPolarHBondContact O-CB 3.43Å; L462-M466 WeakPolarHBondContact O-CG 3.32Å; L462-M466 PolarHBondContact O-N 3.41Å; Q463-M466 PolarHBondContact O-N 3.02Å; M466-M469 PolarHBondContact O-N 3.48Å; M466-M469 HydrophobicContact SD-CE 4.33Å; M466-Q470 WeakPolarHBondContact O-CB 3.24Å; M466-Q470 PolarHBondContact O-N 2.88Å
467	H	83.6	Confident	79.6	Confident	108 Å²	108	105.2 Å²	105.2	50%	0.5	53%	0.534	S	S	.	.	H	α-helix	trans	-66	-44.9	178.8	-171.7	59.4	0	0	0	112.1	Q463 Q464 S465 M469 Q470 Q471	Q463-H467 WeakPolarHBondContact O-CB 3.41Å; Q463-H467 PolarHBondContact O-N 3.4Å; Q464-H467 PolarHBondContact O-N 2.89Å; S465-H467 VanDerWaalsContact C-N 3.34Å; S465-H467 PolarHBondContact O-N 3.13Å; H467-M469 PolarHBondContact O-N 2.99Å; H467-Q470 PolarHBondContact O-N 3.44Å; H467-Q471 WeakPolarHBondContact O-CB 3.47Å; H467-Q471 PolarHBondContact O-N 3.38Å
468	N	84	Confident	80.6	Confident	82 Å²	82	109.8 Å²	109.8	44%	0.439	55%	0.546	S	S	.	.	H	α-helix	trans	-60.9	-44.8	176.3	-66.2	4.9	0	0	0	111.3	Q464 S465 Q470 Q471 E472	Q464-N468 PolarHBondContact NE2-OD1 2.89Å; Q464-N468 PolarHBondContact O-N 3.15Å; Q464-N468 PolarHBondContact O-OD1 3.21Å; Q464-N468 VanDerWaalsContact O-OD1 3.1Å; S465-N468 PolarHBondContact O-N 2.94Å; N468-Q470 PolarHBondContact O-N 2.92Å; N468-Q471 WeakPolarHBondContact O-CB 3.22Å; N468-Q471 PolarHBondContact O-N 3.22Å; N468-E472 PolarHBondContact O-N 2.89Å
469	M	80.8	Confident	81.6	Confident	95 Å²	95	109 Å²	109	47%	0.468	54%	0.541	S	S	.	.	H	α-helix	trans	-63.3	-39.7	177.7	-166.5	-163.7	-43.2	0	0	112.1	S465 M466 H467 Q471 E472 L473	S465-M469 WeakPolarHBondContact O-CB 3.37Å; S465-M469 PolarHBondContact O-N 3.15Å; M466-M469 PolarHBondContact O-N 3.48Å; M466-M469 HydrophobicContact SD-CE 4.33Å; H467-M469 PolarHBondContact O-N 2.99Å; M469-Q471 VanDerWaalsContact C-N 3.33Å; M469-E472 PolarHBondContact O-N 2.65Å; M469-L473 WeakPolarHBondContact O-CG 3.4Å; M469-L473 PolarHBondContact O-N 2.98Å
470	Q	81.4	Confident	82.2	Confident	122 Å²	122	110.4 Å²	110.4	57%	0.57	55%	0.549	S	S	*	.	H	α-helix	trans	-64.7	-37.8	174.7	-171.2	176.7	23.9	0	0	111.8	M466 H467 N468 L474	M466-Q470 WeakPolarHBondContact O-CB 3.24Å; M466-Q470 PolarHBondContact O-N 2.88Å; H467-Q470 PolarHBondContact O-N 3.44Å; N468-Q470 PolarHBondContact O-N 2.92Å; Q470-L474 WeakPolarHBondContact O-CG 3.4Å; Q470-L474 PolarHBondContact O-N 2.87Å; Q470-L474 VanDerWaalsContact O-N 3.13Å
471	Q	85.4	Confident	82.9	Confident	125 Å²	125	107.9 Å²	107.9	58%	0.584	54%	0.544	S	S	*	.	H	α-helix	trans	-69.9	-37	176.6	-166.7	172.9	13.6	0	0	112.2	H467 N468 M469 L474 S475	H467-Q471 WeakPolarHBondContact O-CB 3.47Å; H467-Q471 PolarHBondContact O-N 3.38Å; N468-Q471 WeakPolarHBondContact O-CB 3.22Å; N468-Q471 PolarHBondContact O-N 3.22Å; M469-Q471 VanDerWaalsContact C-N 3.33Å; Q471-L474 PolarHBondContact O-N 3.49Å; Q471-S475 PolarHBondContact O-N 3.39Å
472	E	85.4	Confident	83.5	Confident	129 Å²	129	104.1 Å²	104.1	60%	0.603	53%	0.529	S	S	*	.	H	α-helix	trans	-67.6	-42.3	174.9	-172.8	164.9	-154.1	0	0	112.1	N468 M469 L474 S475 L476	N468-E472 PolarHBondContact O-N 2.89Å; M469-E472 PolarHBondContact O-N 2.65Å; E472-L474 VanDerWaalsContact C-N 3.34Å; E472-L474 PolarHBondContact O-N 2.97Å; E472-S475 PolarHBondContact O-N 3.21Å; E472-L476 HydrophobicContact CG-CD1 4.46Å; E472-L476 WeakPolarHBondContact O-CG 3.42Å; E472-L476 PolarHBondContact O-N 3.43Å
473	L	83.9	Confident	84.1	Confident	108 Å²	108	104.3 Å²	104.3	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-59.7	-41.2	172.6	-76.4	169.2	0	0	0	112.5	M469 L476 Q477	M469-L473 WeakPolarHBondContact O-CG 3.4Å; M469-L473 PolarHBondContact O-N 2.98Å; L473-L476 PolarHBondContact O-N 3.2Å; L473-Q477 WeakPolarHBondContact O-CB 3.34Å; L473-Q477 PolarHBondContact O-N 3.44Å
474	L	87	Confident	84.5	Confident	103 Å²	103	105 Å²	105	54%	0.539	53%	0.528	S	S	.	.	H	α-helix	trans	-64.2	-41.3	174.5	-73.1	168.5	0	0	0	111.9	Q470 Q471 E472 L476 Q477 E478	Q470-L474 WeakPolarHBondContact O-CG 3.4Å; Q470-L474 PolarHBondContact O-N 2.87Å; Q470-L474 VanDerWaalsContact O-N 3.13Å; Q471-L474 PolarHBondContact O-N 3.49Å; E472-L474 VanDerWaalsContact C-N 3.34Å; E472-L474 PolarHBondContact O-N 2.97Å; L474-L476 PolarHBondContact O-N 3.48Å; L474-Q477 PolarHBondContact O-N 2.93Å; L474-E478 PolarHBondContact O-N 2.79Å
475	S	86.4	Confident	85	Confident	41 Å²	41	103.5 Å²	103.5	29%	0.287	53%	0.526	S	S	.	.	H	α-helix	trans	-64.3	-38	174.9	-176	0	0	0	0	112.5	Q471 E472 K479	Q471-S475 PolarHBondContact O-N 3.39Å; E472-S475 PolarHBondContact O-N 3.21Å; S475-K479 WeakPolarHBondContact O-CB 3.31Å; S475-K479 WeakPolarHBondContact O-CD 3.37Å; S475-K479 VanDerWaalsContact O-CG 3.23Å; S475-K479 WeakPolarHBondContact O-CG 3.45Å; S475-K479 PolarHBondContact O-N 2.97Å; S475-K479 PolarHBondContact OG-NZ 3.03Å
476	L	85.6	Confident	85.5	Confident	87 Å²	87	104.3 Å²	104.3	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-67.2	-39	174.5	-72.1	169.9	0	0	0	111.8	E472 L473 L474 K479 L480	E472-L476 HydrophobicContact CG-CD1 4.46Å; E472-L476 WeakPolarHBondContact O-CG 3.42Å; E472-L476 PolarHBondContact O-N 3.43Å; L473-L476 PolarHBondContact O-N 3.2Å; L474-L476 PolarHBondContact O-N 3.48Å; L476-K479 PolarHBondContact O-N 3.3Å; L476-L480 WeakPolarHBondContact O-CB 3.38Å; L476-L480 WeakPolarHBondContact O-CG 3.43Å; L476-L480 PolarHBondContact O-N 3.17Å
477	Q	82.2	Confident	85.8	Confident	133 Å²	133	103.1 Å²	103.1	62%	0.621	52%	0.519	S	S	*	.	H	α-helix	trans	-66.4	-40	176.5	-169.4	173.9	-2.4	0	0	112.2	L473 L474 L480 S481	L473-Q477 WeakPolarHBondContact O-CB 3.34Å; L473-Q477 PolarHBondContact O-N 3.44Å; L474-Q477 PolarHBondContact O-N 2.93Å; Q477-L480 PolarHBondContact O-N 2.97Å; Q477-S481 PolarHBondContact O-N 2.97Å
478	E	90.8	Very high	86	Confident	148 Å²	148	102.3 Å²	102.3	69%	0.692	52%	0.515	S	S	*	.	H	α-helix	trans	-63.8	-44.7	172.6	-174.9	175.6	-149.4	0	0	111.7	L474 L480 S481 S482	L474-E478 PolarHBondContact O-N 2.79Å; E478-L480 PolarHBondContact O-N 3.36Å; E478-S481 PolarHBondContact O-N 3.39Å; E478-S482 PolarHBondContact O-N 3.44Å
479	K	88.4	Confident	86.3	Confident	124 Å²	124	104 Å²	104	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-61.6	-41.4	174.9	-74.9	165.5	-178	165.3	0	112.7	S475 L476 S482 K483	S475-K479 WeakPolarHBondContact O-CB 3.31Å; S475-K479 WeakPolarHBondContact O-CD 3.37Å; S475-K479 VanDerWaalsContact O-CG 3.23Å; S475-K479 WeakPolarHBondContact O-CG 3.45Å; S475-K479 PolarHBondContact O-N 2.97Å; S475-K479 PolarHBondContact OG-NZ 3.03Å; L476-K479 PolarHBondContact O-N 3.3Å; K479-S482 PolarHBondContact O-N 3.24Å; K479-K483 WeakPolarHBondContact O-CB 3.39Å; K479-K483 VanDerWaalsContact O-CG 3.32Å; K479-K483 WeakPolarHBondContact O-CG 3.46Å; K479-K483 PolarHBondContact O-N 3.41Å
480	L	83.9	Confident	86.4	Confident	124 Å²	124	102 Å²	102	65%	0.649	52%	0.519	S	S	*	.	H	α-helix	trans	-64.2	-42.6	175.6	-76.8	170.8	0	0	0	111.3	L476 Q477 E478 K483 E484	L476-L480 WeakPolarHBondContact O-CB 3.38Å; L476-L480 WeakPolarHBondContact O-CG 3.43Å; L476-L480 PolarHBondContact O-N 3.17Å; Q477-L480 PolarHBondContact O-N 2.97Å; E478-L480 PolarHBondContact O-N 3.36Å; L480-K483 PolarHBondContact O-N 3.11Å; L480-E484 WeakPolarHBondContact O-CB 3.45Å; L480-E484 PolarHBondContact O-N 3.2Å
481	S	88.9	Confident	86.6	Confident	66 Å²	66	103.2 Å²	103.2	46%	0.462	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-40.8	175.2	-173.4	0	0	0	0	112.4	Q477 E478 E484 T485	Q477-S481 PolarHBondContact O-N 2.97Å; E478-S481 PolarHBondContact O-N 3.39Å; S481-E484 PolarHBondContact O-N 3.4Å; S481-T485 PolarHBondContact O-N 2.91Å; S481-T485 PolarHBondContact O-OG1 2.95Å
482	S	91.9	Very high	86.8	Confident	56 Å²	56	103.5 Å²	103.5	39%	0.392	52%	0.519	S	S	.	.	H	α-helix	trans	-58.5	-48.5	171.9	-170.7	0	0	0	0	111.2	E478 K479 E484 T485 E486	E478-S482 PolarHBondContact O-N 3.44Å; K479-S482 PolarHBondContact O-N 3.24Å; S482-E484 VanDerWaalsContact C-N 3.33Å; S482-E484 PolarHBondContact O-N 3.08Å; S482-T485 PolarHBondContact O-N 3.04Å; S482-T485 VanDerWaalsContact O-N 3.15Å; S482-T485 PolarHBondContact O-OG1 2.91Å; S482-E486 WeakPolarHBondContact O-CG 3.41Å; S482-E486 PolarHBondContact O-N 3.21Å; S482-E486 PolarHBondContact OG-OE1 2.82Å
483	K	86.5	Confident	86.9	Confident	125 Å²	125	103.5 Å²	103.5	54%	0.543	52%	0.519	S	S	.	.	H	α-helix	trans	-65.7	-33	179.5	-71.7	-72	162.2	-161	0	113.2	K479 L480 E486 L487	K479-K483 WeakPolarHBondContact O-CB 3.39Å; K479-K483 VanDerWaalsContact O-CG 3.32Å; K479-K483 WeakPolarHBondContact O-CG 3.46Å; K479-K483 PolarHBondContact O-N 3.41Å; L480-K483 PolarHBondContact O-N 3.11Å; K483-E486 WeakPolarHBondContact CE-OE2 3.34Å; K483-E486 IonicContact NZ-OE1 3.8Å; K483-E486 IonicContact NZ-OE2 2.76Å; K483-E486 PolarHBondContact NZ-OE2 2.79Å; K483-L487 WeakPolarHBondContact O-CB 3.48Å; K483-L487 PolarHBondContact O-N 3.09Å
484	E	84	Confident	86.9	Confident	143 Å²	143	104.2 Å²	104.2	67%	0.668	52%	0.52	S	S	*	.	H	α-helix	trans	-65.3	-42.3	172.1	-171.7	168.7	-150.2	0	0	111.1	L480 S481 S482 L487 E488	L480-E484 WeakPolarHBondContact O-CB 3.45Å; L480-E484 PolarHBondContact O-N 3.2Å; S481-E484 PolarHBondContact O-N 3.4Å; S482-E484 VanDerWaalsContact C-N 3.33Å; S482-E484 PolarHBondContact O-N 3.08Å; E484-L487 PolarHBondContact O-N 3.03Å; E484-E488 PolarHBondContact O-N 2.89Å
485	T	89.5	Confident	86.9	Confident	75 Å²	75	104.7 Å²	104.7	46%	0.46	52%	0.519	S	S	.	.	H	α-helix	trans	-69	-38.5	175.1	54.1	0	0	0	0	113.8	S481 S482 L487 E488 Q489	S481-T485 PolarHBondContact O-N 2.91Å; S481-T485 PolarHBondContact O-OG1 2.95Å; S482-T485 PolarHBondContact O-N 3.04Å; S482-T485 VanDerWaalsContact O-N 3.15Å; S482-T485 PolarHBondContact O-OG1 2.91Å; T485-L487 VanDerWaalsContact C-N 3.32Å; T485-L487 PolarHBondContact O-N 3.34Å; T485-E488 PolarHBondContact O-N 3.41Å; T485-Q489 WeakPolarHBondContact O-CG 3.42Å; T485-Q489 PolarHBondContact O-N 3.26Å
486	E	89.9	Confident	87	Confident	80 Å²	80	109.8 Å²	109.8	37%	0.374	53%	0.533	S	S	.	.	H	α-helix	trans	-62.3	-40.3	173.1	-71.5	167.7	-136.4	0	0	111.3	S482 K483 Q489 A490	S482-E486 WeakPolarHBondContact O-CG 3.41Å; S482-E486 PolarHBondContact O-N 3.21Å; S482-E486 PolarHBondContact OG-OE1 2.82Å; K483-E486 WeakPolarHBondContact CE-OE2 3.34Å; K483-E486 IonicContact NZ-OE1 3.8Å; K483-E486 IonicContact NZ-OE2 2.76Å; K483-E486 PolarHBondContact NZ-OE2 2.79Å; E486-Q489 PolarHBondContact O-N 3.05Å; E486-A490 WeakPolarHBondContact O-CB 3.44Å; E486-A490 PolarHBondContact O-N 2.74Å
487	L	82	Confident	87	Confident	92 Å²	92	110.5 Å²	110.5	48%	0.482	54%	0.537	S	S	.	.	H	α-helix	trans	-70	-34.9	-180	-171	149.5	0	0	0	112.2	K483 E484 T485 R491	K483-L487 WeakPolarHBondContact O-CB 3.48Å; K483-L487 PolarHBondContact O-N 3.09Å; E484-L487 PolarHBondContact O-N 3.03Å; T485-L487 VanDerWaalsContact C-N 3.32Å; T485-L487 PolarHBondContact O-N 3.34Å; L487-R491 WeakPolarHBondContact O-CG 3.46Å; L487-R491 PolarHBondContact O-N 3.07Å; L487-R491 VanDerWaalsContact O-N 3.15Å
488	E	88.1	Confident	87	Confident	90 Å²	90	109.2 Å²	109.2	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-71.2	-39.3	173.4	-159.7	63.4	-167.9	0	0	111.8	E484 T485 A490 R491 E492	E484-E488 PolarHBondContact O-N 2.89Å; T485-E488 PolarHBondContact O-N 3.41Å; E488-A490 PolarHBondContact O-N 3.28Å; E488-R491 WeakPolarHBondContact O-CB 3.45Å; E488-R491 PolarHBondContact O-N 3.46Å; E488-R491 VanDerWaalsContact O-N 3.15Å; E488-R491 VanDerWaalsContact OE2-CD 3.24Å; E488-R491 WeakPolarHBondContact OE2-CD 3.33Å; E488-R491 IonicContact OE2-CZ 3.17Å; E488-R491 IonicContact OE2-NE 2.74Å; E488-R491 IonicContact OE2-NH1 3.52Å; E488-R491 PolarHBondContact OE2-NH1 3.01Å; E488-E492 PolarHBondContact O-N 2.83Å
489	Q	90.9	Very high	86.6	Confident	117 Å²	117	106.3 Å²	106.3	55%	0.547	52%	0.52	S	S	.	.	H	α-helix	trans	-59.4	-45.7	171.6	-74.8	174.9	-7.1	0	0	111.8	T485 E486 R491 E492 E493	T485-Q489 WeakPolarHBondContact O-CG 3.42Å; T485-Q489 PolarHBondContact O-N 3.26Å; E486-Q489 PolarHBondContact O-N 3.05Å; Q489-R491 PolarHBondContact O-N 3.08Å; Q489-E492 PolarHBondContact O-N 3.37Å; Q489-E492 VanDerWaalsContact O-N 3.13Å; Q489-E493 WeakPolarHBondContact O-CG 3.49Å; Q489-E493 PolarHBondContact O-N 3.08Å
490	A	82.3	Confident	86.3	Confident	53 Å²	53	104.5 Å²	104.5	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-61.9	-30.3	176.1	0	0	0	0	0	113.2	E486 E488 H494	E486-A490 WeakPolarHBondContact O-CB 3.44Å; E486-A490 PolarHBondContact O-N 2.74Å; E488-A490 PolarHBondContact O-N 3.28Å; A490-H494 WeakPolarHBondContact O-CB 3.49Å; A490-H494 PolarHBondContact O-N 3.49Å
491	R	85	Confident	86.2	Confident	148 Å²	148	103.1 Å²	103.1	56%	0.558	51%	0.509	S	S	*	.	H	α-helix	trans	-70.9	-42.6	172.3	-74.9	166.1	171.4	167.6	2.5	112.1	L487 E488 Q489 H494 H495	L487-R491 WeakPolarHBondContact O-CG 3.46Å; L487-R491 PolarHBondContact O-N 3.07Å; L487-R491 VanDerWaalsContact O-N 3.15Å; E488-R491 WeakPolarHBondContact O-CB 3.45Å; E488-R491 PolarHBondContact O-N 3.46Å; E488-R491 VanDerWaalsContact O-N 3.15Å; E488-R491 VanDerWaalsContact OE2-CD 3.24Å; E488-R491 WeakPolarHBondContact OE2-CD 3.33Å; E488-R491 IonicContact OE2-CZ 3.17Å; E488-R491 IonicContact OE2-NE 2.74Å; E488-R491 IonicContact OE2-NH1 3.52Å; E488-R491 PolarHBondContact OE2-NH1 3.01Å; Q489-R491 PolarHBondContact O-N 3.08Å; R491-H494 PolarHBondContact O-N 3.48Å; R491-H495 WeakPolarHBondContact O-CB 3.29Å; R491-H495 PolarHBondContact O-N 2.99Å
492	E	90.4	Very high	85.8	Confident	131 Å²	131	104.5 Å²	104.5	61%	0.612	51%	0.511	S	S	*	.	H	α-helix	trans	-63.1	-42.6	175.5	-70	-173.4	164.1	0	0	111.3	E488 Q489 H495 Y496	E488-E492 PolarHBondContact O-N 2.83Å; Q489-E492 PolarHBondContact O-N 3.37Å; Q489-E492 VanDerWaalsContact O-N 3.13Å; E492-H495 PolarHBondContact O-N 3.01Å; E492-Y496 WeakPolarHBondContact O-CB 3.35Å; E492-Y496 PolarHBondContact O-N 2.79Å
493	E	87.3	Confident	85.2	Confident	129 Å²	129	104.8 Å²	104.8	60%	0.603	51%	0.51	S	S	*	.	H	α-helix	trans	-62.7	-45.9	173.9	-72.7	-178.6	172.6	0	0	112.2	Q489 H495 Y496 L497	Q489-E493 WeakPolarHBondContact O-CG 3.49Å; Q489-E493 PolarHBondContact O-N 3.08Å; E493-H495 VanDerWaalsContact C-N 3.34Å; E493-H495 PolarHBondContact O-N 3.09Å; E493-Y496 PolarHBondContact O-N 3.26Å; E493-L497 WeakPolarHBondContact O-CB 3.19Å; E493-L497 WeakPolarHBondContact O-CG 3.27Å; E493-L497 PolarHBondContact O-N 3.44Å
494	H	83.6	Confident	84.6	Confident	124 Å²	124	103.4 Å²	103.4	57%	0.574	51%	0.509	S	S	*	.	H	α-helix	trans	-58.5	-45.4	175	-178.7	-71.2	0	0	0	111.6	A490 R491 Y496 L497 E498	A490-H494 WeakPolarHBondContact O-CB 3.49Å; A490-H494 PolarHBondContact O-N 3.49Å; R491-H494 PolarHBondContact O-N 3.48Å; H494-Y496 VanDerWaalsContact C-N 3.35Å; H494-L497 PolarHBondContact O-N 3.17Å; H494-E498 IonicContact CE1-OE2 3.62Å; H494-E498 WeakPolarHBondContact O-CB 3.3Å; H494-E498 PolarHBondContact O-N 3.4Å
495	H	86.4	Confident	84.1	Confident	112 Å²	112	103.2 Å²	103.2	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-38.1	177.4	177.2	-91.4	0	0	0	112.1	R491 E492 E493 L499	R491-H495 WeakPolarHBondContact O-CB 3.29Å; R491-H495 PolarHBondContact O-N 2.99Å; E492-H495 PolarHBondContact O-N 3.01Å; E493-H495 VanDerWaalsContact C-N 3.34Å; E493-H495 PolarHBondContact O-N 3.09Å; H495-L499 PolarHBondContact O-N 3.45Å; H495-L499 VanDerWaalsContact O-N 3.15Å
496	Y	90.3	Very high	83.3	Confident	148 Å²	148	105.8 Å²	105.8	58%	0.58	51%	0.509	S	S	*	.	H	α-helix	trans	-63.3	-47.8	173.9	178.5	-88.4	0	0	0	111.8	E492 E493 H494 E498 L499 E500	E492-Y496 WeakPolarHBondContact O-CB 3.35Å; E492-Y496 PolarHBondContact O-N 2.79Å; E493-Y496 PolarHBondContact O-N 3.26Å; H494-Y496 VanDerWaalsContact C-N 3.35Å; Y496-E498 VanDerWaalsContact C-N 3.34Å; Y496-E498 PolarHBondContact O-N 3.06Å; Y496-L499 WeakPolarHBondContact O-CB 3.38Å; Y496-L499 PolarHBondContact O-N 2.97Å; Y496-E500 VanDerWaalsContact CE1-OE2 3.32Å; Y496-E500 WeakPolarHBondContact CE1-OE2 3.38Å; Y496-E500 PolarHBondContact O-N 3.05Å
497	L	84.3	Confident	82.5	Confident	103 Å²	103	108.6 Å²	108.6	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-38.1	177.4	-71.2	170.3	0	0	0	112.1	E493 H494 L499 E500 V501	E493-L497 WeakPolarHBondContact O-CB 3.19Å; E493-L497 WeakPolarHBondContact O-CG 3.27Å; E493-L497 PolarHBondContact O-N 3.44Å; H494-L497 PolarHBondContact O-N 3.17Å; L497-L499 VanDerWaalsContact C-N 3.35Å; L497-L499 PolarHBondContact O-N 2.77Å; L497-E500 PolarHBondContact O-N 3.45Å; L497-V501 WeakPolarHBondContact O-CB 3.46Å; L497-V501 WeakPolarHBondContact O-CG2 3.44Å; L497-V501 PolarHBondContact O-N 3.46Å
498	E	82.2	Confident	81.7	Confident	106 Å²	106	111.2 Å²	111.2	50%	0.495	53%	0.533	S	S	.	.	H	α-helix	trans	-61.9	-41.5	174.8	-171.8	170.8	-169.6	0	0	111.7	H494 Y496 L502	H494-E498 IonicContact CE1-OE2 3.62Å; H494-E498 WeakPolarHBondContact O-CB 3.3Å; H494-E498 PolarHBondContact O-N 3.4Å; Y496-E498 VanDerWaalsContact C-N 3.34Å; Y496-E498 PolarHBondContact O-N 3.06Å; E498-L502 VanDerWaalsContact O-CG 3.31Å; E498-L502 WeakPolarHBondContact O-CG 3.32Å; E498-L502 PolarHBondContact O-N 2.76Å
499	L	83.1	Confident	80.5	Confident	87 Å²	87	113.3 Å²	113.3	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-64.2	-39.3	172.4	-102.6	69.2	0	0	0	112.8	H495 Y496 L497 L502 T503	H495-L499 PolarHBondContact O-N 3.45Å; H495-L499 VanDerWaalsContact O-N 3.15Å; Y496-L499 WeakPolarHBondContact O-CB 3.38Å; Y496-L499 PolarHBondContact O-N 2.97Å; L497-L499 VanDerWaalsContact C-N 3.35Å; L497-L499 PolarHBondContact O-N 2.77Å; L499-L502 PolarHBondContact O-N 2.66Å; L499-T503 WeakPolarHBondContact O-CB 3.46Å; L499-T503 PolarHBondContact O-N 2.99Å; L499-T503 PolarHBondContact O-OG1 2.88Å
500	E	82.6	Confident	78.6	Confident	86 Å²	86	112.2 Å²	112.2	40%	0.402	55%	0.552	S	S	.	*	H	α-helix	trans	-69.7	-40.3	178.8	-173.1	150.9	-148.9	0	0	111.7	Y496 L497 L502 T503 L504	Y496-E500 VanDerWaalsContact CE1-OE2 3.32Å; Y496-E500 WeakPolarHBondContact CE1-OE2 3.38Å; Y496-E500 PolarHBondContact O-N 3.05Å; L497-E500 PolarHBondContact O-N 3.45Å; E500-L502 PolarHBondContact O-N 3Å; E500-T503 WeakPolarHBondContact O-CB 3.5Å; E500-T503 PolarHBondContact O-N 3.42Å; E500-L504 HydrophobicContact CG-CD1 4.26Å; E500-L504 WeakPolarHBondContact O-CB 3.34Å; E500-L504 WeakPolarHBondContact O-CG 3.38Å; E500-L504 PolarHBondContact O-N 3.45Å
501	V	81	Confident	76.9	Confident	94 Å²	94	113.1 Å²	113.1	57%	0.57	57%	0.566	S	S	*	*	H	α-helix	trans	-60.6	-43	171.7	168.6	0	0	0	0	111.5	L497 T503 L504 R505	L497-V501 WeakPolarHBondContact O-CB 3.46Å; L497-V501 WeakPolarHBondContact O-CG2 3.44Å; L497-V501 PolarHBondContact O-N 3.46Å; V501-T503 VanDerWaalsContact C-N 3.35Å; V501-L504 PolarHBondContact O-N 3.19Å; V501-R505 VanDerWaalsContact O-CB 3.29Å; V501-R505 WeakPolarHBondContact O-CB 3.35Å; V501-R505 PolarHBondContact O-N 3.3Å
502	L	79.9	Confident	74.8	Confident	96 Å²	96	115.3 Å²	115.3	50%	0.503	58%	0.58	S	S	.	*	H	α-helix	trans	-61.1	-43.3	174	-74.1	168.3	0	0	0	111.7	E498 L499 E500 R505 E506	E498-L502 VanDerWaalsContact O-CG 3.31Å; E498-L502 WeakPolarHBondContact O-CG 3.32Å; E498-L502 PolarHBondContact O-N 2.76Å; L499-L502 PolarHBondContact O-N 2.66Å; E500-L502 PolarHBondContact O-N 3Å; L502-R505 WeakPolarHBondContact O-CB 3.45Å; L502-R505 PolarHBondContact O-N 3.15Å; L502-E506 PolarHBondContact O-N 3.09Å
503	T	80.1	Confident	72.5	Confident	61 Å²	61	112.2 Å²	112.2	37%	0.374	58%	0.583	S	S	.	*	H	α-helix	trans	-66.2	-40.4	178.6	-56.4	0	0	0	0	112.2	L499 E500 V501 E506 K507	L499-T503 WeakPolarHBondContact O-CB 3.46Å; L499-T503 PolarHBondContact O-N 2.99Å; L499-T503 PolarHBondContact O-OG1 2.88Å; E500-T503 WeakPolarHBondContact O-CB 3.5Å; E500-T503 PolarHBondContact O-N 3.42Å; V501-T503 VanDerWaalsContact C-N 3.35Å; T503-E506 PolarHBondContact O-N 3.14Å; T503-K507 WeakPolarHBondContact O-CG 3.49Å; T503-K507 PolarHBondContact O-N 3.34Å; T503-K507 VanDerWaalsContact O-N 3.08Å
504	L	74.7	Confident	69.8	Low	97 Å²	97	115.4 Å²	115.4	51%	0.508	60%	0.598	S	S	.	*	H	α-helix	trans	-65.8	-39.7	174.3	-72.9	169.5	0	0	0	111.4	E500 V501 K507 L508	E500-L504 HydrophobicContact CG-CD1 4.26Å; E500-L504 WeakPolarHBondContact O-CB 3.34Å; E500-L504 WeakPolarHBondContact O-CG 3.38Å; E500-L504 PolarHBondContact O-N 3.45Å; V501-L504 PolarHBondContact O-N 3.19Å; L504-K507 PolarHBondContact O-N 2.98Å; L504-L508 WeakPolarHBondContact O-CB 3.47Å; L504-L508 PolarHBondContact O-N 2.89Å
505	R	72.6	Confident	67.4	Low	138 Å²	138	115.3 Å²	115.3	52%	0.521	61%	0.612	S	S	.	*	H	α-helix	trans	-63.3	-39.5	175.6	-170.8	178	-173.6	172	3.6	112.2	V501 L502 L508 L509	V501-R505 VanDerWaalsContact O-CB 3.29Å; V501-R505 WeakPolarHBondContact O-CB 3.35Å; V501-R505 PolarHBondContact O-N 3.3Å; L502-R505 WeakPolarHBondContact O-CB 3.45Å; L502-R505 PolarHBondContact O-N 3.15Å; R505-L508 PolarHBondContact O-N 3.34Å; R505-L509 WeakPolarHBondContact O-CG 3.5Å; R505-L509 PolarHBondContact O-N 2.98Å
506	E	73.6	Confident	64.8	Low	130 Å²	130	116.6 Å²	116.6	61%	0.607	63%	0.627	S	S	*	*	H	α-helix	trans	-65.1	-46.3	174.3	-173.4	175.4	-152	0	0	111.9	L502 T503 L508 L509 S510	L502-E506 PolarHBondContact O-N 3.09Å; T503-E506 PolarHBondContact O-N 3.14Å; E506-L508 PolarHBondContact O-N 3.48Å; E506-L509 PolarHBondContact O-N 3.47Å; E506-L509 VanDerWaalsContact O-N 3.08Å; E506-S510 PolarHBondContact O-N 3.28Å; E506-S510 PolarHBondContact O-OG 2.92Å
507	K	72.4	Confident	62	Low	139 Å²	139	118.6 Å²	118.6	60%	0.604	64%	0.641	S	S	*	*	H	α-helix	trans	-57.2	-38.3	174.5	-72	168.5	-178	170	0	112.3	T503 L504 L509 S510 G511	T503-K507 WeakPolarHBondContact O-CG 3.49Å; T503-K507 PolarHBondContact O-N 3.34Å; T503-K507 VanDerWaalsContact O-N 3.08Å; L504-K507 PolarHBondContact O-N 2.98Å; K507-L509 VanDerWaalsContact C-N 3.32Å; K507-L509 PolarHBondContact O-N 3.35Å; K507-S510 PolarHBondContact O-N 3.39Å; K507-G511 PolarHBondContact O-N 3Å
508	L	65.8	Low	59.3	Low	147 Å²	147	117 Å²	117	77%	0.77	65%	0.65	S	S	*	*	H	α-helix	trans	-73.4	-22.3	179.6	-146.6	131.4	0	0	0	113.3	L504 R505 E506	L504-L508 WeakPolarHBondContact O-CB 3.47Å; L504-L508 PolarHBondContact O-N 2.89Å; R505-L508 PolarHBondContact O-N 3.34Å; E506-L508 PolarHBondContact O-N 3.48Å
509	L	61.6	Low	56.8	Low	133 Å²	133	120.3 Å²	120.3	70%	0.696	67%	0.669	S	S	*	*	H	α-helix	trans	-82	-38.7	172.4	-72.1	163.7	0	0	0	111.9	R505 E506 K507	R505-L509 WeakPolarHBondContact O-CG 3.5Å; R505-L509 PolarHBondContact O-N 2.98Å; E506-L509 PolarHBondContact O-N 3.47Å; E506-L509 VanDerWaalsContact O-N 3.08Å; K507-L509 VanDerWaalsContact C-N 3.32Å; K507-L509 PolarHBondContact O-N 3.35Å
510	S	50.8	Low	54	Low	95 Å²	95	124.2 Å²	124.2	66%	0.664	69%	0.69	S	S	*	*	H	α-helix	trans	-73.7	-26.4	177.9	-67	0	0	0	0	113.8	E506 K507 K512	E506-S510 PolarHBondContact O-N 3.28Å; E506-S510 PolarHBondContact O-OG 2.92Å; K507-S510 PolarHBondContact O-N 3.39Å; S510-K512 PolarHBondContact O-N 3.11Å
511	G	47.3	Very low	51.4	Low	71 Å²	71	123.7 Å²	123.7	73%	0.732	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	14	-177.5	0	0	0	0	0	116.9	K507	K507-G511 PolarHBondContact O-N 3Å
512	K	42.1	Very low	48.7	Very low	194 Å²	194	128.2 Å²	128.2	84%	0.843	72%	0.723	S	S	*	*	S	Bend	trans	-124.1	34.8	-171.4	-148.5	176	-173.2	177.4	0	114.4	S510	S510-K512 PolarHBondContact O-N 3.11Å
513	G	40.8	Very low	46.1	Very low	67 Å²	67	131.6 Å²	131.6	69%	0.691	74%	0.741	S	S	*	*			trans	-155.3	50.4	-172.6	0	0	0	0	0	116.2
514	E	31.7	Very low	43.5	Very low	196 Å²	196	136 Å²	136	92%	0.916	76%	0.757	S	S	*	*			trans	-125.6	115.7	158.4	-75.6	-165.4	150.7	0	0	111
515	S	33	Very low	41.1	Very low	122 Å²	122	138.3 Å²	138.3	85%	0.853	77%	0.765	S	S	*	*			trans	-102	127.3	168.6	52.7	0	0	0	0	109.1
516	V	31.4	Very low	38.9	Very low	139 Å²	139	141.6 Å²	141.6	84%	0.842	78%	0.783	S	S	*	*			trans	-124.6	135	168.7	179.2	0	0	0	0	109
517	E	30.8	Very low	36.5	Very low	189 Å²	189	139.3 Å²	139.3	88%	0.883	78%	0.781	S	S	*	*			trans	-77.8	143	-176.1	-61.4	176.5	117.7	0	0	112.9
518	G	27.6	Very low	34.3	Very low	69 Å²	69	139.7 Å²	139.7	71%	0.711	80%	0.795	S	S	*	*			trans	72.1	120.4	138	0	0	0	0	0	120.2
519	I	29.8	Very low	32.3	Very low	177 Å²	177	139.8 Å²	139.8	91%	0.908	80%	0.797	S	S	*	*				-170.4	146.5	110.5	-93.8	154.7	0	0	0	109.9
520	N	25.5	Very low	30.6	Very low	168 Å²	168	137.2 Å²	137.2	90%	0.898	80%	0.802	S	S	*	*			trans	-70.5	153.2	-179	-65.1	-35.6	0	0	0	113.6
521	G	26.8	Very low	29.2	Very low	76 Å²	76	138.7 Å²	138.7	78%	0.784	81%	0.811	S	S	*	*			trans	-176.3	102.7	165.7	0	0	0	0	0	112.7
522	E	25.1	Very low	28.3	Very low	189 Å²	189	141.1 Å²	141.1	88%	0.883	81%	0.811	S	S	*	*			trans	-69.7	143.7	174.4	-61.2	168.4	107.3	0	0	111.7
523	L	25	Very low	27.7	Very low	167 Å²	167	137.9 Å²	137.9	87%	0.874	81%	0.81	S	S	*	*				174.4	101.5	119.5	-92.6	163.2	0	0	0	113.9
524	H	25.5	Very low	27.5	Very low	152 Å²	152	139.2 Å²	139.2	70%	0.704	81%	0.809	S	S	*	*				43.1	119	129.6	-141	24.9	0	0	0	123
525	E	24.1	Very low	27.1	Very low	146 Å²	146	137 Å²	137	68%	0.682	80%	0.802	S	S	*	*			trans	61.2	120.5	137.8	-90.7	-175.7	-162.2	0	0	123
526	K	27.2	Very low	26.9	Very low	208 Å²	208	141.1 Å²	141.1	90%	0.904	80%	0.801	S	S	*	*				-150.1	140.4	91	-107.4	170	-173.7	174	0	113.9
527	S	22.7	Very low	26.7	Very low	81 Å²	81	142.7 Å²	142.7	57%	0.566	80%	0.804	S	S	*	*			trans	-79	143.7	-177.2	170.5	0	0	0	0	113.6
528	V	25.6	Very low	26.5	Very low	147 Å²	147	138.6 Å²	138.6	89%	0.891	80%	0.796	S	S	*	*				-138	136.5	129.3	-176.5	0	0	0	0	109
529	N	25.1	Very low	26.8	Very low	150 Å²	150	147.2 Å²	147.2	80%	0.802	81%	0.807	S	S	*	*			trans	-76.2	159.9	-175	-58.4	-54.9	0	0	0	114.1
530	G	24.6	Very low	26.9	Very low	78 Å²	78	145.2 Å²	145.2	80%	0.804	80%	0.798	S	S	*	*			trans	172.6	61.3	164.5	0	0	0	0	0	119.4
531	C	22.8	Very low	27.1	Very low	126 Å²	126	148.9 Å²	148.9	85%	0.851	80%	0.799	S	S	*	*			trans	10	132.4	159.7	-149	0	0	0	0	122.1
532	V	27.7	Very low	27.2	Very low	123 Å²	123	156.4 Å²	156.4	75%	0.745	80%	0.804	S	S	*	*			trans	-64.9	142.9	166.1	176.3	0	0	0	0	111.6
533	P	29.4	Very low	27.4	Very low	126 Å²	126	151.9 Å²	151.9	82%	0.818	79%	0.793	S	S	*	*				-126	137.8	116.1	-1.6	22.4	0	0	0	113.7
534	S	35.6	Very low	27.8	Very low	95 Å²	95	152.6 Å²	152.6	66%	0.664	79%	0.792	S	S	*	*			trans	-69.1	135.3	167.8	119.6	0	0	0	0	110.8
535	L	24	Very low	28.2	Very low	149 Å²	149	153.7 Å²	153.7	78%	0.78	80%	0.795	S	S	*	*			trans	-147.9	127.8	143.3	-83.4	-175.7	0	0	0	111.4
536	Y	28.3	Very low	28.7	Very low	208 Å²	208	154.8 Å²	154.8	82%	0.816	80%	0.802	S	S	*	*			trans	23.4	118.1	144.2	-72.3	-106.8	0	0	0	119.2
537	L	28.6	Very low	29.3	Very low	173 Å²	173	153.6 Å²	153.6	91%	0.906	79%	0.792	S	S	*	*			trans	-126.7	115.1	142.2	-145.5	79.2	0	0	0	111.5
538	S	26	Very low	30.4	Very low	103 Å²	103	152.9 Å²	152.9	72%	0.72	80%	0.797	S	S	*	*			trans	21.4	94.2	157.3	-57.2	0	0	0	0	118.7	D540	S538-D540 PolarHBondContact O-N 2.79Å
539	R	33.9	Very low	31.9	Very low	250 Å²	250	147.2 Å²	147.2	94%	0.943	77%	0.768	S	S	*	*			trans	-66.7	81	146.2	179.1	-164.3	-177	162.3	1.2	109.3
540	D	31	Very low	33.7	Very low	134 Å²	134	143.6 Å²	143.6	72%	0.717	75%	0.752	S	S	*	*			trans	-156.2	167	151.8	-130.9	-36.7	0	0	0	112.1	S538 R542	S538-D540 PolarHBondContact O-N 2.79Å; D540-R542 PolarHBondContact O-N 3.06Å
541	R	30.1	Very low	35.8	Very low	245 Å²	245	142.9 Å²	142.9	93%	0.925	74%	0.738	S	S	*	*	S	Bend	trans	65.4	18.1	-173.4	-63	-172.2	167.6	-166	-3.1	117.7
542	R	28.3	Very low	38.7	Very low	235 Å²	235	139.7 Å²	139.7	89%	0.887	72%	0.717	S	S	*	*			trans	-105	8.6	165.7	-82.4	-168.9	176.8	-176.7	1.5	114.9	D540	D540-R542 PolarHBondContact O-N 3.06Å
543	S	30.4	Very low	41.3	Very low	94 Å²	94	141.3 Å²	141.3	66%	0.657	72%	0.717	S	S	*	*	S	Bend	trans	-93.2	-7.7	-169.2	-160.1	0	0	0	0	116.4
544	E	33.6	Very low	44	Very low	182 Å²	182	139.4 Å²	139.4	85%	0.85	70%	0.696	S	S	*	*	S	Bend	trans	-102.4	-28.5	-169.1	-64.3	-170.1	137.5	0	0	114.6	M546	E544-M546 PolarHBondContact O-N 2.71Å
545	F	33.1	Very low	46.5	Very low	174 Å²	174	136.8 Å²	136.8	76%	0.763	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	6.5	179.3	-94.8	-79.6	0	0	0	115.8
546	M	33.9	Very low	49.6	Very low	169 Å²	169	131.9 Å²	131.9	83%	0.833	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	26.8	178	-73	-65.5	-71.2	0	0	113.5	E544 G548	E544-M546 PolarHBondContact O-N 2.71Å; M546-G548 PolarHBondContact O-N 3.35Å; M546-G548 VanDerWaalsContact O-N 3.08Å
547	R	40.3	Very low	52.5	Low	184 Å²	184	127.2 Å²	127.2	69%	0.694	64%	0.643	S	S	*	*			trans	-83.6	66.3	166.1	-163.2	176.9	-68.2	-114.6	3.8	110.7	G549	R547-G549 PolarHBondContact O-N 3.16Å
548	G	47.1	Very low	55.6	Low	65 Å²	65	119.6 Å²	119.6	67%	0.67	60%	0.602	S	S	*	*			trans	-72.7	54.1	167.1	0	0	0	0	0	111.6	M546	M546-G548 PolarHBondContact O-N 3.35Å; M546-G548 VanDerWaalsContact O-N 3.08Å
549	G	55.7	Low	58.7	Low	28 Å²	28	115 Å²	115	29%	0.289	57%	0.57	S	S	.	*	S	Bend	trans	-153.9	154.4	-171.8	0	0	0	0	0	111.5	R547 A551	R547-G549 PolarHBondContact O-N 3.16Å; G549-A551 PolarHBondContact O-N 3.12Å
550	V	64.1	Low	61.5	Low	75 Å²	75	104.8 Å²	104.8	46%	0.455	54%	0.542	S	S	.	.			trans	-63.3	122.5	-178.1	-170.6	0	0	0	0	110	S552 E555 A556 L559	V550-S552 VanDerWaalsContact CG1-O 3.26Å; V550-S552 WeakPolarHBondContact CG1-O 3.43Å; V550-E555 HydrophobicContact CG1-CB 3.68Å; V550-A556 HydrophobicContact CG1-CB 3.82Å; V550-A556 VanDerWaalsContact CG1-N 3.3Å; V550-L559 HydrophobicContact CG1-CD1 4.37Å; V550-L559 HydrophobicContact CG2-CD1 3.73Å
551	A	68.5	Low	64.4	Low	63 Å²	63	100.7 Å²	100.7	52%	0.521	52%	0.52	S	S	.	.			trans	-92.7	-16.9	-173.3	0	0	0	0	0	113.6	G549 E555	G549-A551 PolarHBondContact O-N 3.12Å; A551-E555 WeakPolarHBondContact CA-OE2 3.49Å; A551-E555 WeakPolarHBondContact CB-OE2 3.44Å; A551-E555 PolarHBondContact N-OE2 3.48Å
552	S	82.8	Confident	67.5	Low	58 Å²	58	89 Å²	89	41%	0.406	48%	0.476	S	S	.	.	S	Bend	trans	-150.2	162	173.3	73.3	0	0	0	0	113.1	V550 K554 E555 A556	V550-S552 VanDerWaalsContact CG1-O 3.26Å; V550-S552 WeakPolarHBondContact CG1-O 3.43Å; S552-K554 VanDerWaalsContact C-N 3.26Å; S552-K554 PolarHBondContact O-N 3.2Å; S552-E555 WeakPolarHBondContact O-CB 3.35Å; S552-E555 PolarHBondContact O-N 3.06Å; S552-E555 VanDerWaalsContact O-N 3.11Å; S552-E555 WeakPolarHBondContact OG-CG 3.32Å; S552-E555 PolarHBondContact OG-N 2.99Å; S552-A556 PolarHBondContact O-N 2.94Å
553	E	82.4	Confident	70.6	Confident	158 Å²	158	78.8 Å²	78.8	74%	0.738	44%	0.44	S	S	*	.	H	α-helix	trans	-59.4	-35.3	173.5	-172.9	173.5	-166.3	0	0	112.4	E555 A556 L557	E553-E555 VanDerWaalsContact C-N 3.34Å; E553-E555 PolarHBondContact O-N 3.4Å; E553-A556 WeakPolarHBondContact O-CB 3.28Å; E553-A556 PolarHBondContact O-N 3.04Å; E553-A556 VanDerWaalsContact O-N 3.14Å; E553-L557 HydrophobicContact CG-CD1 4.42Å; E553-L557 WeakPolarHBondContact O-CG 3.21Å; E553-L557 PolarHBondContact O-N 3.45Å
554	K	85.4	Confident	73.5	Confident	86 Å²	86	78.8 Å²	78.8	37%	0.374	44%	0.436	S	S	.	.	H	α-helix	trans	-59.1	-44.8	173	-171.1	-171.4	179.6	-165	0	111.1	S552 A556 L557 L558	S552-K554 VanDerWaalsContact C-N 3.26Å; S552-K554 PolarHBondContact O-N 3.2Å; K554-A556 VanDerWaalsContact C-N 3.35Å; K554-L557 PolarHBondContact O-N 3.45Å; K554-L558 HydrophobicContact CG-CD1 4.24Å; K554-L558 VanDerWaalsContact O-CG 3.32Å; K554-L558 WeakPolarHBondContact O-CG 3.47Å; K554-L558 PolarHBondContact O-N 3.05Å
555	E	89.6	Confident	76.4	Confident	39 Å²	39	70.6 Å²	70.6	18%	0.182	40%	0.398	C	S	.	.	H	α-helix	trans	-64.7	-38.4	175.6	-64.7	-172.4	159.5	0	0	111.7	V550 A551 S552 E553 L557 L558 L559 L597 R600	V550-E555 HydrophobicContact CG1-CB 3.68Å; A551-E555 WeakPolarHBondContact CA-OE2 3.49Å; A551-E555 WeakPolarHBondContact CB-OE2 3.44Å; A551-E555 PolarHBondContact N-OE2 3.48Å; S552-E555 WeakPolarHBondContact O-CB 3.35Å; S552-E555 PolarHBondContact O-N 3.06Å; S552-E555 VanDerWaalsContact O-N 3.11Å; S552-E555 WeakPolarHBondContact OG-CG 3.32Å; S552-E555 PolarHBondContact OG-N 2.99Å; E553-E555 VanDerWaalsContact C-N 3.34Å; E553-E555 PolarHBondContact O-N 3.4Å; E555-L557 PolarHBondContact O-N 3.34Å; E555-L558 PolarHBondContact O-N 2.85Å; E555-L559 WeakPolarHBondContact O-CB 3.25Å; E555-L559 WeakPolarHBondContact O-CD1 3.38Å; E555-L559 WeakPolarHBondContact O-CG 3.37Å; E555-L559 PolarHBondContact O-N 3.2Å; E555-L597 HydrophobicContact CB-CD2 4.02Å; E555-L597 HydrophobicContact CG-CD2 3.78Å; E555-R600 IonicContact OE1-CZ 3.94Å; E555-R600 IonicContact OE1-NH1 3.63Å; E555-R600 PolarHBondContact OE1-NH1 3.49Å; E555-R600 IonicContact OE1-NH2 3.19Å; E555-R600 PolarHBondContact OE1-NH2 3.45Å; E555-R600 IonicContact OE2-CZ 3.83Å; E555-R600 IonicContact OE2-NH1 2.78Å; E555-R600 IonicContact OE2-NH2 2.59Å; E555-R600 PolarHBondContact OE2-NH2 2.9Å
556	A	89.1	Confident	79.3	Confident	47 Å²	47	62.5 Å²	62.5	39%	0.388	36%	0.363	S	S	.	.	H	α-helix	trans	-59.7	-46.6	177.6	0	0	0	0	0	111.7	V550 S552 E553 K554 L559 G560	V550-A556 HydrophobicContact CG1-CB 3.82Å; V550-A556 VanDerWaalsContact CG1-N 3.3Å; S552-A556 PolarHBondContact O-N 2.94Å; E553-A556 WeakPolarHBondContact O-CB 3.28Å; E553-A556 PolarHBondContact O-N 3.04Å; E553-A556 VanDerWaalsContact O-N 3.14Å; K554-A556 VanDerWaalsContact C-N 3.35Å; A556-L559 PolarHBondContact O-N 3.22Å; A556-G560 PolarHBondContact O-N 2.92Å
557	L	89.5	Confident	82	Confident	110 Å²	110	59.8 Å²	59.8	58%	0.576	35%	0.348	S	S	*	.	H	α-helix	trans	-64	-46.6	178.3	-69	168.8	0	0	0	111.4	E553 K554 E555 L559 G560 I561	E553-L557 HydrophobicContact CG-CD1 4.42Å; E553-L557 WeakPolarHBondContact O-CG 3.21Å; E553-L557 PolarHBondContact O-N 3.45Å; K554-L557 PolarHBondContact O-N 3.45Å; E555-L557 PolarHBondContact O-N 3.34Å; L557-L559 PolarHBondContact O-N 2.87Å; L557-G560 PolarHBondContact O-N 3.03Å; L557-I561 WeakPolarHBondContact O-CG1 3.5Å; L557-I561 PolarHBondContact O-N 3.24Å
558	L	91.9	Very high	84.5	Confident	12 Å²	12	56 Å²	56	6%	0.063	35%	0.345	C	S	.	.	H	α-helix	trans	-60.1	-45.4	176.5	-71.4	172.3	0	0	0	111.6	K554 E555 G560 I561 I562 I582 V589 L594 L597	K554-L558 HydrophobicContact CG-CD1 4.24Å; K554-L558 VanDerWaalsContact O-CG 3.32Å; K554-L558 WeakPolarHBondContact O-CG 3.47Å; K554-L558 PolarHBondContact O-N 3.05Å; E555-L558 PolarHBondContact O-N 2.85Å; L558-G560 VanDerWaalsContact C-N 3.31Å; L558-G560 PolarHBondContact O-N 3.11Å; L558-I561 PolarHBondContact O-N 3.01Å; L558-I562 WeakPolarHBondContact O-CB 3.23Å; L558-I562 WeakPolarHBondContact O-CD1 3.49Å; L558-I562 WeakPolarHBondContact O-CG1 3.47Å; L558-I562 PolarHBondContact O-N 3.31Å; L558-I582 HydrophobicContact CD2-CG2 3.94Å; L558-V589 HydrophobicContact CD1-CG2 4.33Å; L558-V589 HydrophobicContact CD2-CG1 4.37Å; L558-V589 HydrophobicContact CD2-CG2 3.95Å; L558-L594 HydrophobicContact CD2-CD2 4.41Å; L558-L597 HydrophobicContact CB-CD1 4.07Å; L558-L597 HydrophobicContact CD1-CD1 3.98Å
559	L	92.8	Very high	86.5	Confident	7 Å²	7	55.1 Å²	55.1	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-36.2	177.6	-69.2	167.6	0	0	0	112.4	V550 E555 A556 L557 S563 L597 L601 F605	V550-L559 HydrophobicContact CG1-CD1 4.37Å; V550-L559 HydrophobicContact CG2-CD1 3.73Å; E555-L559 WeakPolarHBondContact O-CB 3.25Å; E555-L559 WeakPolarHBondContact O-CD1 3.38Å; E555-L559 WeakPolarHBondContact O-CG 3.37Å; E555-L559 PolarHBondContact O-N 3.2Å; A556-L559 PolarHBondContact O-N 3.22Å; L557-L559 PolarHBondContact O-N 2.87Å; L559-S563 VanDerWaalsContact O-CB 3.25Å; L559-S563 WeakPolarHBondContact O-CB 3.45Å; L559-S563 PolarHBondContact O-N 3.28Å; L559-S563 PolarHBondContact O-OG 3.01Å; L559-L597 HydrophobicContact CD2-CB 4.22Å; L559-L601 HydrophobicContact CD1-CD1 3.61Å; L559-L601 HydrophobicContact CD2-CD1 3.48Å; L559-L601 VanDerWaalsContact CD2-CD1 3.48Å; L559-L601 HydrophobicContact CG-CD1 4.21Å; L559-F605 HydrophobicContact CD2-CE2 3.75Å; L559-F605 HydrophobicContact CD2-CZ 4.27Å
560	G	91.8	Very high	87.7	Confident	35 Å²	35	58.4 Å²	58.4	36%	0.361	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-43.5	171.7	0	0	0	0	0	113.3	A556 L557 L558 S563 T564	A556-G560 PolarHBondContact O-N 2.92Å; L557-G560 PolarHBondContact O-N 3.03Å; L558-G560 VanDerWaalsContact C-N 3.31Å; L558-G560 PolarHBondContact O-N 3.11Å; G560-S563 PolarHBondContact O-N 3.42Å; G560-T564 WeakPolarHBondContact O-CB 3.45Å; G560-T564 WeakPolarHBondContact O-CG2 3.43Å; G560-T564 PolarHBondContact O-N 3.01Å; G560-T564 PolarHBondContact O-OG1 3.13Å
561	I	92.6	Very high	88.8	Confident	48 Å²	48	62.3 Å²	62.3	25%	0.246	35%	0.351	C	S	.	.	H	α-helix	trans	-66.1	-44.9	177.3	-65	164.2	0	0	0	110.9	L557 L558 T564 F565 Y581 I582 L585	L557-I561 WeakPolarHBondContact O-CG1 3.5Å; L557-I561 PolarHBondContact O-N 3.24Å; L558-I561 PolarHBondContact O-N 3.01Å; I561-T564 PolarHBondContact O-OG1 3.02Å; I561-T564 VanDerWaalsContact O-OG1 3.09Å; I561-F565 VanDerWaalsContact O-CB 3.24Å; I561-F565 WeakPolarHBondContact O-CB 3.43Å; I561-F565 PolarHBondContact O-N 2.87Å; I561-Y581 HydrophobicContact CG2-CE1 4.05Å; I561-I582 HydrophobicContact CG2-CD1 4.3Å; I561-I582 HydrophobicContact CG2-CG1 3.91Å; I561-L585 HydrophobicContact CD1-CD1 4.34Å; I561-L585 HydrophobicContact CG2-CD1 3.91Å
562	I	94.1	Very high	89.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-44.3	176.8	-62	159.2	0	0	0	110.4	L558 F565 L566 L578 I582 L594 M598 F605	L558-I562 WeakPolarHBondContact O-CB 3.23Å; L558-I562 WeakPolarHBondContact O-CD1 3.49Å; L558-I562 WeakPolarHBondContact O-CG1 3.47Å; L558-I562 PolarHBondContact O-N 3.31Å; I562-F565 PolarHBondContact O-N 3.33Å; I562-L566 HydrophobicContact CG2-CD1 3.75Å; I562-L566 HydrophobicContact CG2-CG 4.3Å; I562-L566 WeakPolarHBondContact O-CB 3.46Å; I562-L566 WeakPolarHBondContact O-CG 3.46Å; I562-L566 PolarHBondContact O-N 3.37Å; I562-L578 HydrophobicContact CG1-CD1 4.39Å; I562-L578 HydrophobicContact CG1-CD2 4.48Å; I562-L578 HydrophobicContact CG2-CD1 4.37Å; I562-L578 HydrophobicContact CG2-CD2 4.02Å; I562-I582 HydrophobicContact CG1-CD1 3.61Å; I562-L594 HydrophobicContact CD1-CD2 3.8Å; I562-L594 HydrophobicContact CG1-CD2 4.24Å; I562-M598 HydrophobicContact CD1-CG 4.25Å; I562-M598 HydrophobicContact CD1-SD 4.34Å; I562-M598 HydrophobicContact CG2-CE 3.81Å; I562-M598 HydrophobicContact CG2-CG 4.11Å; I562-M598 HydrophobicContact CG2-SD 3.75Å; I562-F605 HydrophobicContact CB-CE1 4.31Å; I562-F605 HydrophobicContact CB-CZ 4.29Å; I562-F605 HydrophobicContact CG2-CD1 4.11Å; I562-F605 HydrophobicContact CG2-CE1 3.52Å; I562-F605 HydrophobicContact CG2-CZ 3.88Å
563	S	93.4	Very high	90.2	Very high	21 Å²	21	57.3 Å²	57.3	15%	0.147	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-48.5	179.7	-58.7	0	0	0	0	111.8	L559 G560 L566 H567 F605	L559-S563 VanDerWaalsContact O-CB 3.25Å; L559-S563 WeakPolarHBondContact O-CB 3.45Å; L559-S563 PolarHBondContact O-N 3.28Å; L559-S563 PolarHBondContact O-OG 3.01Å; G560-S563 PolarHBondContact O-N 3.42Å; S563-L566 PolarHBondContact O-N 3.05Å; S563-H567 WeakPolarHBondContact O-CB 3.46Å; S563-H567 PolarHBondContact O-N 3.38Å; S563-F605 WeakPolarHBondContact OG-CZ 3.47Å
564	T	91.9	Very high	90.7	Very high	93 Å²	93	52 Å²	52	57%	0.571	29%	0.29	S	S	*	.	H	α-helix	trans	-65.4	-40	179.3	48.3	0	0	0	0	112.2	G560 I561	G560-T564 WeakPolarHBondContact O-CB 3.45Å; G560-T564 WeakPolarHBondContact O-CG2 3.43Å; G560-T564 PolarHBondContact O-N 3.01Å; G560-T564 PolarHBondContact O-OG1 3.13Å; I561-T564 PolarHBondContact O-OG1 3.02Å; I561-T564 VanDerWaalsContact O-OG1 3.09Å
565	F	94.4	Very high	91.1	Very high	11 Å²	11	49 Å²	49	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-54.4	173.7	-177.7	-90.5	0	0	0	111.5	I561 I562 H567 V568 H569 A573 Y577 L578 Y581	I561-F565 VanDerWaalsContact O-CB 3.24Å; I561-F565 WeakPolarHBondContact O-CB 3.43Å; I561-F565 PolarHBondContact O-N 2.87Å; I562-F565 PolarHBondContact O-N 3.33Å; F565-H567 VanDerWaalsContact C-N 3.32Å; F565-H567 PolarHBondContact O-N 3.07Å; F565-V568 WeakPolarHBondContact O-CG2 3.45Å; F565-V568 PolarHBondContact O-N 3.37Å; F565-H569 AromaticContact CD1-ND1 3.96Å; F565-H569 AromaticContact CD2-CE1 3.95Å; F565-H569 AromaticContact CE1-CE1 3.72Å; F565-H569 AromaticContact CE1-ND1 3.93Å; F565-H569 AromaticContact CE2-CE1 3.61Å; F565-H569 AromaticContact CZ-CE1 3.5Å; F565-H569 AromaticContact CZ-NE2 3.81Å; F565-H569 PolarHBondContact O-ND1 3.5Å; F565-A573 HydrophobicContact CE1-CB 3.79Å; F565-Y577 HydrophobicContact CE1-CD1 4.46Å; F565-Y577 HydrophobicContact CE1-CE1 4.41Å; F565-Y577 AromaticContact CZ-CD1 3.97Å; F565-Y577 HydrophobicContact CZ-CD1 3.97Å; F565-Y577 AromaticContact CZ-CE1 3.69Å; F565-Y577 HydrophobicContact CZ-CE1 3.69Å; F565-Y577 HydrophobicContact CZ-CG 4.48Å; F565-Y577 AromaticContact CZ-CZ 3.96Å; F565-L578 HydrophobicContact CB-CD1 4.32Å; F565-L578 HydrophobicContact CD1-CD1 3.48Å; F565-L578 VanDerWaalsContact CD1-CD1 3.48Å; F565-L578 HydrophobicContact CE1-CB 4.24Å; F565-L578 HydrophobicContact CE1-CD1 3.92Å; F565-L578 HydrophobicContact CG-CD1 4Å; F565-Y581 HydrophobicContact CB-CE1 4.41Å; F565-Y581 AromaticContact CD2-CD1 3.4Å; F565-Y581 HydrophobicContact CD2-CD1 3.4Å; F565-Y581 HydrophobicContact CD2-CD2 4.06Å; F565-Y581 AromaticContact CD2-CE1 3.68Å; F565-Y581 HydrophobicContact CD2-CE1 3.68Å; F565-Y581 HydrophobicContact CD2-CE2 4.3Å; F565-Y581 AromaticContact CD2-CG 3.61Å; F565-Y581 HydrophobicContact CD2-CG 3.61Å; F565-Y581 AromaticContact CE2-CD1 3.8Å; F565-Y581 HydrophobicContact CE2-CD1 3.8Å; F565-Y581 AromaticContact CE2-CD2 3.86Å; F565-Y581 HydrophobicContact CE2-CD2 3.86Å; F565-Y581 HydrophobicContact CE2-CE1 4.41Å; F565-Y581 HydrophobicContact CE2-CE2 4.46Å; F565-Y581 AromaticContact CE2-CG 3.49Å; F565-Y581 HydrophobicContact CE2-CG 3.49Å; F565-Y581 VanDerWaalsContact CE2-CG 3.49Å; F565-Y581 HydrophobicContact CG-CD1 4.15Å; F565-Y581 HydrophobicContact CG-CE1 4.41Å; F565-Y581 HydrophobicContact CZ-CG 4.47Å
566	L	93.6	Very high	91.1	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-69.8	-27.7	-176.2	-69.4	179.8	0	0	0	113.4	I562 S563 V568 H569 A573 M598 F605 W620 F622	I562-L566 HydrophobicContact CG2-CD1 3.75Å; I562-L566 HydrophobicContact CG2-CG 4.3Å; I562-L566 WeakPolarHBondContact O-CB 3.46Å; I562-L566 WeakPolarHBondContact O-CG 3.46Å; I562-L566 PolarHBondContact O-N 3.37Å; S563-L566 PolarHBondContact O-N 3.05Å; L566-V568 VanDerWaalsContact C-N 3.28Å; L566-V568 PolarHBondContact O-N 3.49Å; L566-H569 PolarHBondContact O-N 3.14Å; L566-A573 HydrophobicContact CD2-CB 3.82Å; L566-M598 HydrophobicContact CD1-CE 3.49Å; L566-M598 VanDerWaalsContact CD1-CE 3.49Å; L566-F605 HydrophobicContact CD1-CD1 3.85Å; L566-F605 HydrophobicContact CD1-CE1 4.2Å; L566-W620 HydrophobicContact CD1-CB 4Å; L566-W620 HydrophobicContact CD2-CB 4.48Å; L566-W620 WeakPolarHBondContact CD2-O 3.44Å; L566-F622 HydrophobicContact CB-CB 3.8Å
567	H	91.4	Very high	91.3	Very high	113 Å²	113	56.2 Å²	56.2	52%	0.523	30%	0.3	S	S	.	.	H	α-helix	trans	-63.9	-31.8	176.1	-174.9	57.3	0	0	0	112.8	S563 F565 H569 F622 F625	S563-H567 WeakPolarHBondContact O-CB 3.46Å; S563-H567 PolarHBondContact O-N 3.38Å; F565-H567 VanDerWaalsContact C-N 3.32Å; F565-H567 PolarHBondContact O-N 3.07Å; H567-H569 VanDerWaalsContact C-N 3.31Å; H567-F622 HydrophobicContact CB-CD1 4.27Å; H567-F625 AromaticContact CE1-CD2 3.92Å; H567-F625 AromaticContact CE1-CE2 3.6Å; H567-F625 AromaticContact ND1-CE2 3.86Å
568	V	92	Very high	91.5	Very high	105 Å²	105	51 Å²	51	64%	0.636	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	1.4	174.1	-56.7	0	0	0	0	113.8	F565 L566 P570	F565-V568 WeakPolarHBondContact O-CG2 3.45Å; F565-V568 PolarHBondContact O-N 3.37Å; L566-V568 VanDerWaalsContact C-N 3.28Å; L566-V568 PolarHBondContact O-N 3.49Å; V568-P570 VanDerWaalsContact O-CD 3.28Å; V568-P570 WeakPolarHBondContact O-CD 3.4Å
569	H	90.2	Very high	91.6	Very high	45 Å²	45	53.5 Å²	53.5	21%	0.208	28%	0.281	C	S	.	.			trans	-112.2	83.2	177.6	-70.8	79.6	0	0	0	110.9	F565 L566 H567 F571 G572 Y577	F565-H569 AromaticContact CD1-ND1 3.96Å; F565-H569 AromaticContact CD2-CE1 3.95Å; F565-H569 AromaticContact CE1-CE1 3.72Å; F565-H569 AromaticContact CE1-ND1 3.93Å; F565-H569 AromaticContact CE2-CE1 3.61Å; F565-H569 AromaticContact CZ-CE1 3.5Å; F565-H569 AromaticContact CZ-NE2 3.81Å; F565-H569 PolarHBondContact O-ND1 3.5Å; L566-H569 PolarHBondContact O-N 3.14Å; H567-H569 VanDerWaalsContact C-N 3.31Å; H569-F571 PolarHBondContact O-N 3.23Å; H569-F571 VanDerWaalsContact O-N 3.08Å; H569-G572 WeakPolarHBondContact O-CA 3.35Å; H569-G572 PolarHBondContact O-N 3.14Å; H569-Y577 AromaticContact NE2-CE1 3.46Å; H569-Y577 WeakPolarHBondContact NE2-CE1 3.32Å; H569-Y577 AromaticContact NE2-CZ 3.97Å
570	P	81.2	Confident	91.5	Very high	98 Å²	98	55.3 Å²	55.3	64%	0.636	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.3	-173	23.9	-34.9	0	0	0	114.7	V568	V568-P570 VanDerWaalsContact O-CD 3.28Å; V568-P570 WeakPolarHBondContact O-CD 3.4Å
571	F	85.5	Confident	91.5	Very high	157 Å²	157	58.4 Å²	58.4	69%	0.689	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	6.5	176.2	-56	-67.3	0	0	0	113.7	H569 R619	H569-F571 PolarHBondContact O-N 3.23Å; H569-F571 VanDerWaalsContact O-N 3.08Å; F571-R619 WeakPolarHBondContact O-CD 3.24Å
572	G	89.4	Confident	91.5	Very high	11 Å²	11	56.2 Å²	56.2	11%	0.113	28%	0.284	C	S	.	.			trans	73.1	175.8	-171.6	0	0	0	0	0	113.7	H569 W620	H569-G572 WeakPolarHBondContact O-CA 3.35Å; H569-G572 PolarHBondContact O-N 3.14Å; G572-W620 CarbonylContact C-O 3.59Å; G572-W620 WeakPolarHBondContact CA-O 3.31Å
573	A	92.8	Very high	91.4	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.033	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-135	147	176.2	0	0	0	0	0	110.5	F565 L566 Y577 R619 W620	F565-A573 HydrophobicContact CE1-CB 3.79Å; L566-A573 HydrophobicContact CD2-CB 3.82Å; A573-Y577 HydrophobicContact CB-CD1 3.97Å; A573-R619 CarbonylContact O-C 3.57Å; A573-R619 WeakPolarHBondContact O-CA 3.43Å; A573-W620 PolarHBondContact N-O 2.81Å; A573-W620 PolarHBondContact O-N 3.01Å
574	N	92.7	Very high	91.2	Very high	46 Å²	46	68.9 Å²	68.9	25%	0.246	33%	0.333	C	S	.	.			trans	-70.6	162	171.6	69.1	39.9	0	0	0	111.3	E576 Y577 L578 E617 K618	N574-E576 VanDerWaalsContact C-N 3.34Å; N574-E576 PolarHBondContact O-N 3.17Å; N574-E576 PolarHBondContact OD1-N 2.83Å; N574-Y577 PolarHBondContact O-N 2.97Å; N574-Y577 WeakPolarHBondContact OD1-CB 3.3Å; N574-Y577 PolarHBondContact OD1-N 3.36Å; N574-L578 PolarHBondContact O-N 2.92Å; N574-E617 HydrophobicContact CB-CG 4.24Å; N574-E617 WeakPolarHBondContact CB-OE1 3.48Å; N574-E617 PolarHBondContact ND2-OE1 2.85Å; N574-K618 WeakPolarHBondContact CA-O 3.41Å; N574-K618 WeakPolarHBondContact CB-O 3.48Å
575	L	93.2	Very high	90.9	Very high	25 Å²	25	69.4 Å²	69.4	13%	0.131	33%	0.331	C	S	.	.	H	α-helix	trans	-62.3	-40.7	-177.2	-177.2	63.5	0	0	0	112	Y577 L578 W579 A591 L594 E595	L575-Y577 PolarHBondContact O-N 2.88Å; L575-L578 PolarHBondContact O-N 2.74Å; L575-W579 VanDerWaalsContact O-CB 3.24Å; L575-W579 WeakPolarHBondContact O-CB 3.31Å; L575-W579 PolarHBondContact O-N 2.72Å; L575-A591 HydrophobicContact CD2-CB 4.26Å; L575-A591 HydrophobicContact CG-CB 4.38Å; L575-L594 HydrophobicContact CD1-CB 4.21Å; L575-E595 HydrophobicContact CD1-CB 4.24Å; L575-E595 HydrophobicContact CD2-CB 3.95Å; L575-E595 HydrophobicContact CD2-CG 4.49Å
576	E	90.4	Very high	90.5	Very high	112 Å²	112	71.3 Å²	71.3	52%	0.523	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-40.6	-178.8	-61.1	-52.7	132.4	0	0	113	N574 S580	N574-E576 VanDerWaalsContact C-N 3.34Å; N574-E576 PolarHBondContact O-N 3.17Å; N574-E576 PolarHBondContact OD1-N 2.83Å; E576-S580 VanDerWaalsContact O-CB 3.25Å; E576-S580 WeakPolarHBondContact O-CB 3.44Å; E576-S580 PolarHBondContact O-N 2.83Å
577	Y	92.4	Very high	90.1	Very high	125 Å²	125	75.8 Å²	75.8	49%	0.49	37%	0.374	S	S	.	.	H	α-helix	trans	-73	-41.7	179.4	178	-135.6	0	0	0	111.6	F565 H569 A573 N574 L575 S580 Y581	F565-Y577 HydrophobicContact CE1-CD1 4.46Å; F565-Y577 HydrophobicContact CE1-CE1 4.41Å; F565-Y577 AromaticContact CZ-CD1 3.97Å; F565-Y577 HydrophobicContact CZ-CD1 3.97Å; F565-Y577 AromaticContact CZ-CE1 3.69Å; F565-Y577 HydrophobicContact CZ-CE1 3.69Å; F565-Y577 HydrophobicContact CZ-CG 4.48Å; F565-Y577 AromaticContact CZ-CZ 3.96Å; H569-Y577 AromaticContact NE2-CE1 3.46Å; H569-Y577 WeakPolarHBondContact NE2-CE1 3.32Å; H569-Y577 AromaticContact NE2-CZ 3.97Å; A573-Y577 HydrophobicContact CB-CD1 3.97Å; N574-Y577 PolarHBondContact O-N 2.97Å; N574-Y577 WeakPolarHBondContact OD1-CB 3.3Å; N574-Y577 PolarHBondContact OD1-N 3.36Å; L575-Y577 PolarHBondContact O-N 2.88Å; Y577-S580 PolarHBondContact O-N 3.45Å; Y577-Y581 PolarHBondContact O-N 3.45Å
578	L	93.1	Very high	89.8	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-45.7	171.5	173.7	65.1	0	0	0	111.3	I562 F565 N574 L575 Y581 I582 M598	I562-L578 HydrophobicContact CG1-CD1 4.39Å; I562-L578 HydrophobicContact CG1-CD2 4.48Å; I562-L578 HydrophobicContact CG2-CD1 4.37Å; I562-L578 HydrophobicContact CG2-CD2 4.02Å; F565-L578 HydrophobicContact CB-CD1 4.32Å; F565-L578 HydrophobicContact CD1-CD1 3.48Å; F565-L578 VanDerWaalsContact CD1-CD1 3.48Å; F565-L578 HydrophobicContact CE1-CB 4.24Å; F565-L578 HydrophobicContact CE1-CD1 3.92Å; F565-L578 HydrophobicContact CG-CD1 4Å; N574-L578 PolarHBondContact O-N 2.92Å; L575-L578 PolarHBondContact O-N 2.74Å; L578-Y581 PolarHBondContact O-N 2.96Å; L578-I582 HydrophobicContact CD1-CD1 3.8Å; L578-I582 HydrophobicContact CD1-CG1 4.42Å; L578-I582 HydrophobicContact CG-CD1 4.09Å; L578-I582 WeakPolarHBondContact O-CG1 3.4Å; L578-I582 PolarHBondContact O-N 2.89Å; L578-M598 HydrophobicContact CD2-CE 3.86Å; L578-M598 HydrophobicContact CD2-SD 3.55Å; L578-M598 VanDerWaalsContact CD2-SD 3.55Å
579	W	94.1	Very high	89.6	Confident	65 Å²	65	73.6 Å²	73.6	25%	0.246	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-46.6	177.1	173.5	64.5	0	0	0	111.6	L575 Y581 I582 Q583 V589 A591 L594	L575-W579 VanDerWaalsContact O-CB 3.24Å; L575-W579 WeakPolarHBondContact O-CB 3.31Å; L575-W579 PolarHBondContact O-N 2.72Å; W579-Y581 PolarHBondContact O-N 3.26Å; W579-I582 PolarHBondContact O-N 3.4Å; W579-I582 VanDerWaalsContact O-N 3.08Å; W579-Q583 HydrophobicContact CZ2-CG 4.45Å; W579-Q583 VanDerWaalsContact CZ2-NE2 3.31Å; W579-Q583 VanDerWaalsContact O-CB 3.31Å; W579-Q583 WeakPolarHBondContact O-CB 3.27Å; W579-Q583 PolarHBondContact O-N 2.97Å; W579-V589 PolarHBondContact NE1-O 3.26Å; W579-A591 HydrophobicContact CB-CB 4.25Å; W579-A591 HydrophobicContact CD2-CB 4.25Å; W579-A591 HydrophobicContact CG-CB 3.92Å; W579-L594 HydrophobicContact CB-CD1 3.89Å; W579-L594 HydrophobicContact CG-CD1 4.29Å
580	S	91.4	Very high	89.6	Confident	45 Å²	45	73.9 Å²	73.9	32%	0.315	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-32.5	177.1	-171.1	0	0	0	0	113	E576 Y577 R584	E576-S580 VanDerWaalsContact O-CB 3.25Å; E576-S580 WeakPolarHBondContact O-CB 3.44Å; E576-S580 PolarHBondContact O-N 2.83Å; Y577-S580 PolarHBondContact O-N 3.45Å; S580-R584 WeakPolarHBondContact O-CG 3.47Å
581	Y	92.9	Very high	90	Very high	100 Å²	100	70.3 Å²	70.3	39%	0.392	34%	0.34	S	S	.	.	H	α-helix	trans	-68.2	-49	170.9	177.3	-100.4	0	0	0	111.8	I561 F565 Y577 L578 W579 Q583 R584 L585	I561-Y581 HydrophobicContact CG2-CE1 4.05Å; F565-Y581 HydrophobicContact CB-CE1 4.41Å; F565-Y581 AromaticContact CD2-CD1 3.4Å; F565-Y581 HydrophobicContact CD2-CD1 3.4Å; F565-Y581 HydrophobicContact CD2-CD2 4.06Å; F565-Y581 AromaticContact CD2-CE1 3.68Å; F565-Y581 HydrophobicContact CD2-CE1 3.68Å; F565-Y581 HydrophobicContact CD2-CE2 4.3Å; F565-Y581 AromaticContact CD2-CG 3.61Å; F565-Y581 HydrophobicContact CD2-CG 3.61Å; F565-Y581 AromaticContact CE2-CD1 3.8Å; F565-Y581 HydrophobicContact CE2-CD1 3.8Å; F565-Y581 AromaticContact CE2-CD2 3.86Å; F565-Y581 HydrophobicContact CE2-CD2 3.86Å; F565-Y581 HydrophobicContact CE2-CE1 4.41Å; F565-Y581 HydrophobicContact CE2-CE2 4.46Å; F565-Y581 AromaticContact CE2-CG 3.49Å; F565-Y581 HydrophobicContact CE2-CG 3.49Å; F565-Y581 VanDerWaalsContact CE2-CG 3.49Å; F565-Y581 HydrophobicContact CG-CD1 4.15Å; F565-Y581 HydrophobicContact CG-CE1 4.41Å; F565-Y581 HydrophobicContact CZ-CG 4.47Å; Y577-Y581 PolarHBondContact O-N 3.45Å; L578-Y581 PolarHBondContact O-N 2.96Å; W579-Y581 PolarHBondContact O-N 3.26Å; Y581-Q583 PolarHBondContact O-N 3.18Å; Y581-R584 PolarHBondContact O-N 3.46Å; Y581-L585 HydrophobicContact CD1-CD1 4.49Å; Y581-L585 HydrophobicContact CE1-CD1 3.92Å
582	I	91.7	Very high	90.2	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-68.2	-34.1	-178	-68.5	174.6	0	0	0	112.1	L558 I561 I562 L578 W579 R584 L585 D586 V589 L594	L558-I582 HydrophobicContact CD2-CG2 3.94Å; I561-I582 HydrophobicContact CG2-CD1 4.3Å; I561-I582 HydrophobicContact CG2-CG1 3.91Å; I562-I582 HydrophobicContact CG1-CD1 3.61Å; L578-I582 HydrophobicContact CD1-CD1 3.8Å; L578-I582 HydrophobicContact CD1-CG1 4.42Å; L578-I582 HydrophobicContact CG-CD1 4.09Å; L578-I582 WeakPolarHBondContact O-CG1 3.4Å; L578-I582 PolarHBondContact O-N 2.89Å; W579-I582 PolarHBondContact O-N 3.4Å; W579-I582 VanDerWaalsContact O-N 3.08Å; I582-R584 PolarHBondContact O-N 3.46Å; I582-L585 WeakPolarHBondContact O-CA 3.44Å; I582-L585 WeakPolarHBondContact O-CB 3.4Å; I582-L585 PolarHBondContact O-N 3.32Å; I582-D586 PolarHBondContact O-N 3.25Å; I582-V589 HydrophobicContact CG2-CB 4.28Å; I582-V589 HydrophobicContact CG2-CG1 4.13Å; I582-V589 HydrophobicContact CG2-CG2 4.42Å; I582-L594 HydrophobicContact CB-CD1 4.38Å; I582-L594 HydrophobicContact CD1-CD1 3.94Å; I582-L594 HydrophobicContact CD1-CD2 3.61Å; I582-L594 HydrophobicContact CD1-CG 4.45Å; I582-L594 HydrophobicContact CG2-CD2 4.38Å
583	Q	91.4	Very high	90.2	Very high	83 Å²	83	66.7 Å²	66.7	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-24.1	178.1	-165.8	-176	29.3	0	0	112.9	W579 Y581 L585	W579-Q583 HydrophobicContact CZ2-CG 4.45Å; W579-Q583 VanDerWaalsContact CZ2-NE2 3.31Å; W579-Q583 VanDerWaalsContact O-CB 3.31Å; W579-Q583 WeakPolarHBondContact O-CB 3.27Å; W579-Q583 PolarHBondContact O-N 2.97Å; Y581-Q583 PolarHBondContact O-N 3.18Å; Q583-L585 VanDerWaalsContact C-N 3.28Å
584	R	88.8	Confident	90.1	Very high	205 Å²	205	66.5 Å²	66.5	77%	0.774	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-16	172.4	-62.7	173.4	-171.5	-168.9	1.3	113.2	S580 Y581 I582	S580-R584 WeakPolarHBondContact O-CG 3.47Å; Y581-R584 PolarHBondContact O-N 3.46Å; I582-R584 PolarHBondContact O-N 3.46Å
585	L	86.7	Confident	90.1	Very high	103 Å²	103	67.4 Å²	67.4	54%	0.539	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-42.2	179.6	-56.7	175.2	0	0	0	111.3	I561 Y581 I582 Q583	I561-L585 HydrophobicContact CD1-CD1 4.34Å; I561-L585 HydrophobicContact CG2-CD1 3.91Å; Y581-L585 HydrophobicContact CD1-CD1 4.49Å; Y581-L585 HydrophobicContact CE1-CD1 3.92Å; I582-L585 WeakPolarHBondContact O-CA 3.44Å; I582-L585 WeakPolarHBondContact O-CB 3.4Å; I582-L585 PolarHBondContact O-N 3.32Å; Q583-L585 VanDerWaalsContact C-N 3.28Å
586	D	85.4	Confident	90	Very high	51 Å²	51	74 Å²	74	27%	0.273	36%	0.356	S	S	.	.			trans	-139.6	111.1	171.1	-177.2	1.7	0	0	0	110.2	I582 K588 V589	I582-D586 PolarHBondContact O-N 3.25Å; D586-K588 PolarHBondContact O-N 3.36Å; D586-K588 WeakPolarHBondContact OD1-CB 3.28Å; D586-K588 PolarHBondContact OD1-N 3.46Å; D586-V589 HydrophobicContact CB-CG2 3.85Å; D586-V589 WeakPolarHBondContact OD2-CG2 3.45Å
587	S	84.8	Confident	90	Very high	98 Å²	98	69.1 Å²	69.1	69%	0.685	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.8	180	56.9	0	0	0	0	114.2
588	K	86.5	Confident	90	Very high	166 Å²	166	63.2 Å²	63.2	72%	0.722	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	8.9	179.3	-56.5	179.4	-179.6	178.3	0	113.5	D586	D586-K588 PolarHBondContact O-N 3.36Å; D586-K588 WeakPolarHBondContact OD1-CB 3.28Å; D586-K588 PolarHBondContact OD1-N 3.46Å
589	V	87.9	Confident	89.9	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.03	34%	0.336	C	S	.	.			trans	-101.1	125	-178.4	-179.8	0	0	0	0	110.2	L558 W579 I582 D586 L594	L558-V589 HydrophobicContact CD1-CG2 4.33Å; L558-V589 HydrophobicContact CD2-CG1 4.37Å; L558-V589 HydrophobicContact CD2-CG2 3.95Å; W579-V589 PolarHBondContact NE1-O 3.26Å; I582-V589 HydrophobicContact CG2-CB 4.28Å; I582-V589 HydrophobicContact CG2-CG1 4.13Å; I582-V589 HydrophobicContact CG2-CG2 4.42Å; D586-V589 HydrophobicContact CB-CG2 3.85Å; D586-V589 WeakPolarHBondContact OD2-CG2 3.45Å; V589-L594 HydrophobicContact CG1-CD1 4.14Å; V589-L594 HydrophobicContact CG1-CD2 3.76Å; V589-L594 HydrophobicContact CG1-CG 3.75Å
590	S	90.2	Very high	89.7	Confident	52 Å²	52	68.7 Å²	68.7	36%	0.364	34%	0.341	S	S	.	.			trans	-90.4	150.8	175	63.6	0	0	0	0	112.1	G592 E593 L594	S590-G592 PolarHBondContact O-N 3.19Å; S590-E593 WeakPolarHBondContact CB-OE2 3.49Å; S590-E593 PolarHBondContact N-OE2 2.74Å; S590-E593 PolarHBondContact O-N 3.08Å; S590-E593 VanDerWaalsContact O-N 3.11Å; S590-E593 VanDerWaalsContact OG-CG 3.22Å; S590-E593 WeakPolarHBondContact OG-CG 3.22Å; S590-E593 PolarHBondContact OG-N 3.02Å; S590-E593 PolarHBondContact OG-OE2 3.44Å; S590-L594 PolarHBondContact O-N 3.1Å
591	A	89.3	Confident	89.6	Confident	23 Å²	23	67.4 Å²	67.4	19%	0.19	33%	0.33	C	S	.	.	H	α-helix	trans	-56.8	-39.2	175.6	0	0	0	0	0	112.1	L575 W579 E593 L594 E595	L575-A591 HydrophobicContact CD2-CB 4.26Å; L575-A591 HydrophobicContact CG-CB 4.38Å; W579-A591 HydrophobicContact CB-CB 4.25Å; W579-A591 HydrophobicContact CD2-CB 4.25Å; W579-A591 HydrophobicContact CG-CB 3.92Å; A591-E593 VanDerWaalsContact C-N 3.34Å; A591-E593 PolarHBondContact O-N 3.23Å; A591-L594 WeakPolarHBondContact O-CB 3.32Å; A591-L594 PolarHBondContact O-N 2.86Å; A591-E595 PolarHBondContact O-N 3.36Å
592	G	89.4	Confident	89.2	Confident	33 Å²	33	67.1 Å²	67.1	34%	0.34	34%	0.34	S	S	.	.	H	α-helix	trans	-68.5	-23.6	177.5	0	0	0	0	0	115	S590 R596	S590-G592 PolarHBondContact O-N 3.19Å; G592-R596 WeakPolarHBondContact O-CB 3.17Å; G592-R596 WeakPolarHBondContact O-CG 3.45Å; G592-R596 PolarHBondContact O-N 3.39Å; G592-R596 PolarHBondContact O-NE 3.14Å
593	E	89.1	Confident	88.8	Confident	58 Å²	58	70.7 Å²	70.7	27%	0.271	37%	0.366	S	S	.	.	H	α-helix	trans	-72.1	-40.7	169.4	-77.2	165.6	119.3	0	0	111.4	S590 A591 L597	S590-E593 WeakPolarHBondContact CB-OE2 3.49Å; S590-E593 PolarHBondContact N-OE2 2.74Å; S590-E593 PolarHBondContact O-N 3.08Å; S590-E593 VanDerWaalsContact O-N 3.11Å; S590-E593 VanDerWaalsContact OG-CG 3.22Å; S590-E593 WeakPolarHBondContact OG-CG 3.22Å; S590-E593 PolarHBondContact OG-N 3.02Å; S590-E593 PolarHBondContact OG-OE2 3.44Å; A591-E593 VanDerWaalsContact C-N 3.34Å; A591-E593 PolarHBondContact O-N 3.23Å; E593-L597 WeakPolarHBondContact O-CB 3.48Å; E593-L597 WeakPolarHBondContact O-CG 3.48Å; E593-L597 PolarHBondContact O-N 3.39Å
594	L	91.3	Very high	88.7	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64	-46.7	177.1	-62.8	173.2	0	0	0	111.1	L558 I562 L575 W579 I582 V589 S590 A591 L597 M598	L558-L594 HydrophobicContact CD2-CD2 4.41Å; I562-L594 HydrophobicContact CD1-CD2 3.8Å; I562-L594 HydrophobicContact CG1-CD2 4.24Å; L575-L594 HydrophobicContact CD1-CB 4.21Å; W579-L594 HydrophobicContact CB-CD1 3.89Å; W579-L594 HydrophobicContact CG-CD1 4.29Å; I582-L594 HydrophobicContact CB-CD1 4.38Å; I582-L594 HydrophobicContact CD1-CD1 3.94Å; I582-L594 HydrophobicContact CD1-CD2 3.61Å; I582-L594 HydrophobicContact CD1-CG 4.45Å; I582-L594 HydrophobicContact CG2-CD2 4.38Å; V589-L594 HydrophobicContact CG1-CD1 4.14Å; V589-L594 HydrophobicContact CG1-CD2 3.76Å; V589-L594 HydrophobicContact CG1-CG 3.75Å; S590-L594 PolarHBondContact O-N 3.1Å; A591-L594 WeakPolarHBondContact O-CB 3.32Å; A591-L594 PolarHBondContact O-N 2.86Å; L594-L597 PolarHBondContact O-N 3.11Å; L594-M598 VanDerWaalsContact O-CG 3.25Å; L594-M598 WeakPolarHBondContact O-CG 3.44Å; L594-M598 PolarHBondContact O-N 3.41Å; L594-M598 VanDerWaalsContact O-N 3.07Å
595	E	92.1	Very high	88.8	Confident	65 Å²	65	60 Å²	60	30%	0.304	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-47.8	177.2	-175.5	158.2	-129	0	0	111.7	L575 A591 L597 M598 V599 W620	L575-E595 HydrophobicContact CD1-CB 4.24Å; L575-E595 HydrophobicContact CD2-CB 3.95Å; L575-E595 HydrophobicContact CD2-CG 4.49Å; A591-E595 PolarHBondContact O-N 3.36Å; E595-L597 VanDerWaalsContact C-N 3.3Å; E595-L597 PolarHBondContact O-N 3.3Å; E595-M598 PolarHBondContact O-N 3Å; E595-M598 VanDerWaalsContact O-N 3.13Å; E595-V599 HydrophobicContact CG-CG2 4.14Å; E595-V599 WeakPolarHBondContact O-CB 3.47Å; E595-V599 VanDerWaalsContact O-CG2 3.29Å; E595-V599 WeakPolarHBondContact O-CG2 3.3Å; E595-V599 PolarHBondContact O-N 2.9Å; E595-W620 HydrophobicContact CG-CZ2 4.13Å
596	R	90.9	Very high	89	Confident	164 Å²	164	61.3 Å²	61.3	62%	0.619	32%	0.323	S	S	*	.	H	α-helix	trans	-58	-39	175.4	-81	179.8	-77.3	127	-7.1	113	G592 R600	G592-R596 WeakPolarHBondContact O-CB 3.17Å; G592-R596 WeakPolarHBondContact O-CG 3.45Å; G592-R596 PolarHBondContact O-N 3.39Å; G592-R596 PolarHBondContact O-NE 3.14Å; R596-R600 WeakPolarHBondContact O-CB 3.34Å; R596-R600 PolarHBondContact O-N 3.48Å
597	L	90.5	Very high	89.3	Confident	10 Å²	10	62.3 Å²	62.3	5%	0.052	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-39.8	176.6	-80.6	173.7	0	0	0	112.7	E555 L558 L559 E593 L594 E595	E555-L597 HydrophobicContact CB-CD2 4.02Å; E555-L597 HydrophobicContact CG-CD2 3.78Å; L558-L597 HydrophobicContact CB-CD1 4.07Å; L558-L597 HydrophobicContact CD1-CD1 3.98Å; L559-L597 HydrophobicContact CD2-CB 4.22Å; E593-L597 WeakPolarHBondContact O-CB 3.48Å; E593-L597 WeakPolarHBondContact O-CG 3.48Å; E593-L597 PolarHBondContact O-N 3.39Å; L594-L597 PolarHBondContact O-N 3.11Å; E595-L597 VanDerWaalsContact C-N 3.3Å; E595-L597 PolarHBondContact O-N 3.3Å
598	M	91.6	Very high	89.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-78.5	-41.3	-176.3	-64.9	167.1	72	0	0	111.9	I562 L566 L578 L594 E595 R600 L601 F605 W620	I562-M598 HydrophobicContact CD1-CG 4.25Å; I562-M598 HydrophobicContact CD1-SD 4.34Å; I562-M598 HydrophobicContact CG2-CE 3.81Å; I562-M598 HydrophobicContact CG2-CG 4.11Å; I562-M598 HydrophobicContact CG2-SD 3.75Å; L566-M598 HydrophobicContact CD1-CE 3.49Å; L566-M598 VanDerWaalsContact CD1-CE 3.49Å; L578-M598 HydrophobicContact CD2-CE 3.86Å; L578-M598 HydrophobicContact CD2-SD 3.55Å; L578-M598 VanDerWaalsContact CD2-SD 3.55Å; L594-M598 VanDerWaalsContact O-CG 3.25Å; L594-M598 WeakPolarHBondContact O-CG 3.44Å; L594-M598 PolarHBondContact O-N 3.41Å; L594-M598 VanDerWaalsContact O-N 3.07Å; E595-M598 PolarHBondContact O-N 3Å; E595-M598 VanDerWaalsContact O-N 3.13Å; M598-R600 VanDerWaalsContact C-N 3.25Å; M598-R600 PolarHBondContact O-N 3.16Å; M598-L601 CarbonylContact O-C 3.47Å; M598-L601 PolarHBondContact O-N 3.33Å; M598-L601 VanDerWaalsContact O-N 3.09Å; M598-F605 HydrophobicContact CB-CB 4.1Å; M598-F605 HydrophobicContact CB-CD2 4.16Å; M598-F605 HydrophobicContact CB-CG 4.19Å; M598-F605 HydrophobicContact CE-CB 4.29Å; M598-F605 HydrophobicContact CE-CD1 4.13Å; M598-F605 HydrophobicContact CE-CG 4.23Å; M598-F605 HydrophobicContact CG-CB 4.49Å; M598-F605 HydrophobicContact CG-CD2 4.07Å; M598-F605 HydrophobicContact CG-CE2 4.48Å; M598-F605 HydrophobicContact CG-CG 4.11Å; M598-W620 HydrophobicContact CB-CD2 4.46Å; M598-W620 HydrophobicContact CB-CE3 4.11Å; M598-W620 HydrophobicContact CB-CH2 3.99Å; M598-W620 HydrophobicContact CB-CZ2 4.35Å; M598-W620 HydrophobicContact CB-CZ3 3.86Å; M598-W620 HydrophobicContact CE-CB 3.41Å; M598-W620 VanDerWaalsContact CE-CB 3.41Å; M598-W620 HydrophobicContact CE-CD2 3.48Å; M598-W620 VanDerWaalsContact CE-CD2 3.48Å; M598-W620 HydrophobicContact CE-CE3 3.7Å; M598-W620 HydrophobicContact CE-CG 3.37Å; M598-W620 HydrophobicContact SD-CD2 4.46Å; M598-W620 HydrophobicContact SD-CG 4.5Å
599	V	91.3	Very high	89.5	Confident	92 Å²	92	58.3 Å²	58.3	56%	0.558	30%	0.302	S	S	*	.	H	α-helix	trans	-57.7	-37.4	172.3	171.6	0	0	0	0	111.6	E595 L601 W620	E595-V599 HydrophobicContact CG-CG2 4.14Å; E595-V599 WeakPolarHBondContact O-CB 3.47Å; E595-V599 VanDerWaalsContact O-CG2 3.29Å; E595-V599 WeakPolarHBondContact O-CG2 3.3Å; E595-V599 PolarHBondContact O-N 2.9Å; V599-L601 PolarHBondContact O-N 2.93Å; V599-W620 HydrophobicContact CG2-CH2 3.69Å; V599-W620 HydrophobicContact CG2-CZ2 4.1Å
600	R	90.8	Very high	89.1	Confident	88 Å²	88	60.1 Å²	60.1	33%	0.332	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12	179.1	-165.6	175.4	65.8	179.5	1.4	113.7	E555 R596 M598 P602	E555-R600 IonicContact OE1-CZ 3.94Å; E555-R600 IonicContact OE1-NH1 3.63Å; E555-R600 PolarHBondContact OE1-NH1 3.49Å; E555-R600 IonicContact OE1-NH2 3.19Å; E555-R600 PolarHBondContact OE1-NH2 3.45Å; E555-R600 IonicContact OE2-CZ 3.83Å; E555-R600 IonicContact OE2-NH1 2.78Å; E555-R600 IonicContact OE2-NH2 2.59Å; E555-R600 PolarHBondContact OE2-NH2 2.9Å; R596-R600 WeakPolarHBondContact O-CB 3.34Å; R596-R600 PolarHBondContact O-N 3.48Å; M598-R600 VanDerWaalsContact C-N 3.25Å; M598-R600 PolarHBondContact O-N 3.16Å; R600-P602 VanDerWaalsContact C-CD 3.46Å
601	L	88.3	Confident	88.4	Confident	18 Å²	18	59.4 Å²	59.4	9%	0.094	32%	0.316	C	S	.	.			trans	-129.9	61.7	-173.2	-66.1	167.6	0	0	0	112	L559 M598 V599 S603 M604 F605	L559-L601 HydrophobicContact CD1-CD1 3.61Å; L559-L601 HydrophobicContact CD2-CD1 3.48Å; L559-L601 VanDerWaalsContact CD2-CD1 3.48Å; L559-L601 HydrophobicContact CG-CD1 4.21Å; M598-L601 CarbonylContact O-C 3.47Å; M598-L601 PolarHBondContact O-N 3.33Å; M598-L601 VanDerWaalsContact O-N 3.09Å; V599-L601 PolarHBondContact O-N 2.93Å; L601-S603 PolarHBondContact O-N 2.9Å; L601-S603 VanDerWaalsContact O-N 3.09Å; L601-M604 HydrophobicContact CD1-CE 3.92Å; L601-M604 PolarHBondContact O-N 3.31Å; L601-F605 HydrophobicContact CB-CD2 4.15Å; L601-F605 HydrophobicContact CB-CE2 4.45Å; L601-F605 PolarHBondContact O-N 3.1Å
602	P	85.6	Confident	87.2	Confident	94 Å²	94	64.5 Å²	64.5	61%	0.61	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.9	-173.1	29.2	-37.5	0	0	0	114.6	R600 F605	R600-P602 VanDerWaalsContact C-CD 3.46Å; P602-F605 WeakPolarHBondContact CA-O 3.27Å
603	S	83.2	Confident	86	Confident	77 Å²	77	65.8 Å²	65.8	54%	0.538	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.7	171.6	52.7	0	0	0	0	113.3	L601 C623	L601-S603 PolarHBondContact O-N 2.9Å; L601-S603 VanDerWaalsContact O-N 3.09Å; S603-C623 PolarHBondContact O-SG 2.93Å
604	M	88.2	Confident	84.6	Confident	60 Å²	60	68.4 Å²	68.4	30%	0.296	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-31.3	177.4	-65.6	-152.8	-59	0	0	113.2	L601 F622 C623 G624	L601-M604 HydrophobicContact CD1-CE 3.92Å; L601-M604 PolarHBondContact O-N 3.31Å; M604-F622 HydrophobicContact CB-CE2 4.38Å; M604-F622 CarbonylContact O-C 3.58Å; M604-F622 WeakPolarHBondContact O-CA 3.49Å; M604-F622 WeakPolarHBondContact O-CD2 3.48Å; M604-C623 VanDerWaalsContact C-SG 3.52Å; M604-C623 PolarHBondContact O-N 3.24Å; M604-G624 PolarHBondContact O-N 3.24Å
605	F	92.3	Very high	83.2	Confident	3 Å²	3	73.2 Å²	73.2	1%	0.013	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136	-179.3	-50.4	-74.1	0	0	0	111.7	L559 I562 S563 L566 M598 L601 P602 W620 K621 F622	L559-F605 HydrophobicContact CD2-CE2 3.75Å; L559-F605 HydrophobicContact CD2-CZ 4.27Å; I562-F605 HydrophobicContact CB-CE1 4.31Å; I562-F605 HydrophobicContact CB-CZ 4.29Å; I562-F605 HydrophobicContact CG2-CD1 4.11Å; I562-F605 HydrophobicContact CG2-CE1 3.52Å; I562-F605 HydrophobicContact CG2-CZ 3.88Å; S563-F605 WeakPolarHBondContact OG-CZ 3.47Å; L566-F605 HydrophobicContact CD1-CD1 3.85Å; L566-F605 HydrophobicContact CD1-CE1 4.2Å; M598-F605 HydrophobicContact CB-CB 4.1Å; M598-F605 HydrophobicContact CB-CD2 4.16Å; M598-F605 HydrophobicContact CB-CG 4.19Å; M598-F605 HydrophobicContact CE-CB 4.29Å; M598-F605 HydrophobicContact CE-CD1 4.13Å; M598-F605 HydrophobicContact CE-CG 4.23Å; M598-F605 HydrophobicContact CG-CB 4.49Å; M598-F605 HydrophobicContact CG-CD2 4.07Å; M598-F605 HydrophobicContact CG-CE2 4.48Å; M598-F605 HydrophobicContact CG-CG 4.11Å; L601-F605 HydrophobicContact CB-CD2 4.15Å; L601-F605 HydrophobicContact CB-CE2 4.45Å; L601-F605 PolarHBondContact O-N 3.1Å; P602-F605 WeakPolarHBondContact CA-O 3.27Å; F605-W620 HydrophobicContact CB-CE3 4.09Å; F605-W620 HydrophobicContact CB-CZ3 4.22Å; F605-K621 WeakPolarHBondContact CA-O 3.34Å; F605-F622 HydrophobicContact CD1-CD2 4.19Å; F605-F622 AromaticContact CE1-CD2 3.77Å; F605-F622 HydrophobicContact CE1-CD2 3.77Å; F605-F622 HydrophobicContact CE1-CE2 4.47Å; F605-F622 HydrophobicContact CZ-CD2 4.46Å
606	R	90.6	Very high	82.5	Confident	130 Å²	130	75.1 Å²	75.1	49%	0.491	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.3	174.9	-173.9	177.7	-67.2	159.4	1.9	109.9	E608 W620 K621	R606-E608 HydrophobicContact CG-CG 4.14Å; R606-W620 CarbonylContact O-C 3.58Å; R606-W620 WeakPolarHBondContact O-CA 3.37Å; R606-K621 PolarHBondContact N-O 3.14Å; R606-K621 PolarHBondContact O-N 3.08Å
607	Q	91.6	Very high	82.1	Confident	72 Å²	72	70.2 Å²	70.2	34%	0.336	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.2	167.4	-168.4	173.7	93	0	0	108.6	K618 R619 W620	Q607-K618 HydrophobicContact CG-CB 4.46Å; Q607-R619 CarbonylContact C-O 3.44Å; Q607-R619 WeakPolarHBondContact CA-O 3.4Å; Q607-W620 HydrophobicContact CB-CD2 4.04Å; Q607-W620 HydrophobicContact CB-CE3 3.89Å; Q607-W620 HydrophobicContact CB-CH2 3.93Å; Q607-W620 HydrophobicContact CB-CZ2 4.06Å; Q607-W620 HydrophobicContact CB-CZ3 3.85Å; Q607-W620 HydrophobicContact CG-CD2 4.36Å; Q607-W620 HydrophobicContact CG-CZ2 4.34Å; Q607-W620 VanDerWaalsContact NE2-CE2 3.27Å
608	E	88.8	Confident	82.1	Confident	65 Å²	65	75.6 Å²	75.6	30%	0.304	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.7	177.2	-67.7	-177.1	-173.9	0	0	109.8	R606 R619 K621	R606-E608 HydrophobicContact CG-CG 4.14Å; E608-R619 PolarHBondContact N-O 2.88Å; E608-R619 PolarHBondContact O-N 3.11Å; E608-K621 IonicContact OE1-NZ 2.71Å; E608-K621 WeakPolarHBondContact OE2-CD 3.44Å; E608-K621 VanDerWaalsContact OE2-CE 3.27Å; E608-K621 WeakPolarHBondContact OE2-CE 3.41Å; E608-K621 IonicContact OE2-NZ 3.03Å; E608-K621 PolarHBondContact OE2-NZ 3.49Å
609	L	85.8	Confident	82.2	Confident	116 Å²	116	78.5 Å²	78.5	61%	0.607	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.5	173.1	-64.9	169.2	0	0	0	108.7	L616 E617 K618	L609-L616 HydrophobicContact CB-CD2 4.34Å; L609-L616 HydrophobicContact CB-CG 4.42Å; L609-L616 HydrophobicContact CD1-CD2 4.17Å; L609-L616 HydrophobicContact CD2-CD2 4.13Å; L609-L616 HydrophobicContact CG-CD2 4.45Å; L609-E617 WeakPolarHBondContact CA-O 3.47Å; L609-K618 HydrophobicContact CD2-CG 3.69Å
610	S	79.7	Confident	82.3	Confident	43 Å²	43	74.5 Å²	74.5	30%	0.301	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.8	-178.7	-163	0	0	0	0	110.5	E617 R619	S610-E617 PolarHBondContact N-O 3.11Å; S610-E617 PolarHBondContact O-N 3.1Å; S610-R619 PolarHBondContact OG-NH1 3.2Å; S610-R619 VanDerWaalsContact OG-NH1 3.09Å
611	G	76.8	Confident	82.4	Confident	37 Å²	37	73.1 Å²	73.1	38%	0.381	42%	0.42	S	S	.	.	S	Bend	trans	134.2	-179.4	-177.7	0	0	0	0	0	112.5
612	V	62.7	Low	82.6	Confident	129 Å²	129	74.1 Å²	74.1	78%	0.782	42%	0.423	S	S	*	.	S	Bend	trans	-139.5	126.5	176.5	-178.2	0	0	0	0	109.2	A614 T615	V612-A614 PolarHBondContact O-N 3.42Å; V612-T615 PolarHBondContact N-OG1 3.44Å; V612-T615 PolarHBondContact O-OG1 3.43Å
613	G	64.6	Low	82.7	Confident	60 Å²	60	70 Å²	70	62%	0.619	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	65	-122.9	179.2	0	0	0	0	0	112.4	T615 L616	G613-T615 PolarHBondContact O-N 3.48Å; G613-T615 VanDerWaalsContact O-N 3.16Å; G613-L616 PolarHBondContact O-N 2.89Å
614	A	58.9	Low	82.7	Confident	114 Å²	114	67 Å²	67	94%	0.942	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-70.5	-5.8	-174.5	0	0	0	0	0	115.1	V612	V612-A614 PolarHBondContact O-N 3.42Å
615	T	63.4	Low	82.3	Confident	100 Å²	100	69.8 Å²	69.8	61%	0.613	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-106.6	20.9	178.4	63.2	0	0	0	0	113.2	V612 G613 E617	V612-T615 PolarHBondContact N-OG1 3.44Å; V612-T615 PolarHBondContact O-OG1 3.43Å; G613-T615 PolarHBondContact O-N 3.48Å; G613-T615 VanDerWaalsContact O-N 3.16Å; T615-E617 PolarHBondContact O-N 2.74Å
616	L	76.8	Confident	81.5	Confident	105 Å²	105	73.8 Å²	73.8	55%	0.55	41%	0.41	S	S	.	.			trans	-70.7	115.3	-179.2	-149.9	93.1	0	0	0	111.1	L609 G613	L609-L616 HydrophobicContact CB-CD2 4.34Å; L609-L616 HydrophobicContact CB-CG 4.42Å; L609-L616 HydrophobicContact CD1-CD2 4.17Å; L609-L616 HydrophobicContact CD2-CD2 4.13Å; L609-L616 HydrophobicContact CG-CD2 4.45Å; G613-L616 PolarHBondContact O-N 2.89Å
617	E	83.6	Confident	80	Confident	61 Å²	61	71 Å²	71	29%	0.285	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.9	-175.1	-176.6	-177.8	-153.6	0	0	111.3	N574 L609 S610 T615 R619	N574-E617 HydrophobicContact CB-CG 4.24Å; N574-E617 WeakPolarHBondContact CB-OE1 3.48Å; N574-E617 PolarHBondContact ND2-OE1 2.85Å; L609-E617 WeakPolarHBondContact CA-O 3.47Å; S610-E617 PolarHBondContact N-O 3.11Å; S610-E617 PolarHBondContact O-N 3.1Å; T615-E617 PolarHBondContact O-N 2.74Å; E617-R619 HydrophobicContact CG-CG 4.11Å; E617-R619 PolarHBondContact O-N 3.21Å; E617-R619 IonicContact OE2-CZ 3.58Å; E617-R619 IonicContact OE2-NE 3.08Å; E617-R619 PolarHBondContact OE2-NE 3.29Å; E617-R619 IonicContact OE2-NH2 2.65Å; E617-R619 PolarHBondContact OE2-NH2 3.46Å
618	K	89.8	Confident	78.3	Confident	123 Å²	123	73.6 Å²	73.6	54%	0.535	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	117	168.8	-70.7	-179.6	176.4	-173	0	109.5	N574 Q607 L609	N574-K618 WeakPolarHBondContact CA-O 3.41Å; N574-K618 WeakPolarHBondContact CB-O 3.48Å; Q607-K618 HydrophobicContact CG-CB 4.46Å; L609-K618 HydrophobicContact CD2-CG 3.69Å
619	R	92.5	Very high	76.4	Confident	61 Å²	61	75.3 Å²	75.3	23%	0.23	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.7	174.2	-61.5	-170.2	-167.5	145	15.1	111.4	F571 A573 Q607 E608 S610 E617	F571-R619 WeakPolarHBondContact O-CD 3.24Å; A573-R619 CarbonylContact O-C 3.57Å; A573-R619 WeakPolarHBondContact O-CA 3.43Å; Q607-R619 CarbonylContact C-O 3.44Å; Q607-R619 WeakPolarHBondContact CA-O 3.4Å; E608-R619 PolarHBondContact N-O 2.88Å; E608-R619 PolarHBondContact O-N 3.11Å; S610-R619 PolarHBondContact OG-NH1 3.2Å; S610-R619 VanDerWaalsContact OG-NH1 3.09Å; E617-R619 HydrophobicContact CG-CG 4.11Å; E617-R619 PolarHBondContact O-N 3.21Å; E617-R619 IonicContact OE2-CZ 3.58Å; E617-R619 IonicContact OE2-NE 3.08Å; E617-R619 PolarHBondContact OE2-NE 3.29Å; E617-R619 IonicContact OE2-NH2 2.65Å; E617-R619 PolarHBondContact OE2-NH2 3.46Å
620	W	94.8	Very high	74.6	Confident	9 Å²	9	74.7 Å²	74.7	3%	0.034	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	139.1	171.6	-70.8	99.7	0	0	0	110.7	L566 G572 A573 E595 M598 V599 F605 R606 Q607	L566-W620 HydrophobicContact CD1-CB 4Å; L566-W620 HydrophobicContact CD2-CB 4.48Å; L566-W620 WeakPolarHBondContact CD2-O 3.44Å; G572-W620 CarbonylContact C-O 3.59Å; G572-W620 WeakPolarHBondContact CA-O 3.31Å; A573-W620 PolarHBondContact N-O 2.81Å; A573-W620 PolarHBondContact O-N 3.01Å; E595-W620 HydrophobicContact CG-CZ2 4.13Å; M598-W620 HydrophobicContact CB-CD2 4.46Å; M598-W620 HydrophobicContact CB-CE3 4.11Å; M598-W620 HydrophobicContact CB-CH2 3.99Å; M598-W620 HydrophobicContact CB-CZ2 4.35Å; M598-W620 HydrophobicContact CB-CZ3 3.86Å; M598-W620 HydrophobicContact CE-CB 3.41Å; M598-W620 VanDerWaalsContact CE-CB 3.41Å; M598-W620 HydrophobicContact CE-CD2 3.48Å; M598-W620 VanDerWaalsContact CE-CD2 3.48Å; M598-W620 HydrophobicContact CE-CE3 3.7Å; M598-W620 HydrophobicContact CE-CG 3.37Å; M598-W620 HydrophobicContact SD-CD2 4.46Å; M598-W620 HydrophobicContact SD-CG 4.5Å; V599-W620 HydrophobicContact CG2-CH2 3.69Å; V599-W620 HydrophobicContact CG2-CZ2 4.1Å; F605-W620 HydrophobicContact CB-CE3 4.09Å; F605-W620 HydrophobicContact CB-CZ3 4.22Å; R606-W620 CarbonylContact O-C 3.58Å; R606-W620 WeakPolarHBondContact O-CA 3.37Å; Q607-W620 HydrophobicContact CB-CD2 4.04Å; Q607-W620 HydrophobicContact CB-CE3 3.89Å; Q607-W620 HydrophobicContact CB-CH2 3.93Å; Q607-W620 HydrophobicContact CB-CZ2 4.06Å; Q607-W620 HydrophobicContact CB-CZ3 3.85Å; Q607-W620 HydrophobicContact CG-CD2 4.36Å; Q607-W620 HydrophobicContact CG-CZ2 4.34Å; Q607-W620 VanDerWaalsContact NE2-CE2 3.27Å
621	K	92.6	Very high	72.7	Confident	59 Å²	59	79.8 Å²	79.8	26%	0.257	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.6	172.3	-76.4	-177.5	178.9	167.5	0	110.8	F605 R606 E608	F605-K621 WeakPolarHBondContact CA-O 3.34Å; R606-K621 PolarHBondContact N-O 3.14Å; R606-K621 PolarHBondContact O-N 3.08Å; E608-K621 IonicContact OE1-NZ 2.71Å; E608-K621 WeakPolarHBondContact OE2-CD 3.44Å; E608-K621 VanDerWaalsContact OE2-CE 3.27Å; E608-K621 WeakPolarHBondContact OE2-CE 3.41Å; E608-K621 IonicContact OE2-NZ 3.03Å; E608-K621 PolarHBondContact OE2-NZ 3.49Å
622	F	92.6	Very high	72.5	Confident	38 Å²	38	81.9 Å²	81.9	17%	0.167	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.1	168.8	179.7	-97.8	0	0	0	110.1	L566 H567 M604 F605 F625	L566-F622 HydrophobicContact CB-CB 3.8Å; H567-F622 HydrophobicContact CB-CD1 4.27Å; M604-F622 HydrophobicContact CB-CE2 4.38Å; M604-F622 CarbonylContact O-C 3.58Å; M604-F622 WeakPolarHBondContact O-CA 3.49Å; M604-F622 WeakPolarHBondContact O-CD2 3.48Å; F605-F622 HydrophobicContact CD1-CD2 4.19Å; F605-F622 AromaticContact CE1-CD2 3.77Å; F605-F622 HydrophobicContact CE1-CD2 3.77Å; F605-F622 HydrophobicContact CE1-CE2 4.47Å; F605-F622 HydrophobicContact CZ-CD2 4.46Å; F622-F625 HydrophobicContact CD1-CD2 4.46Å; F622-F625 AromaticContact CE1-CD2 3.69Å; F622-F625 HydrophobicContact CE1-CD2 3.69Å; F622-F625 AromaticContact CE1-CE2 3.65Å; F622-F625 HydrophobicContact CE1-CE2 3.65Å; F622-F625 HydrophobicContact CE1-CG 4.16Å; F622-F625 HydrophobicContact CE1-CZ 4.08Å; F622-F625 HydrophobicContact CZ-CE2 4.43Å; F622-F625 HydrophobicContact CZ-CZ 4.43Å
623	C	88.3	Confident	73	Confident	9 Å²	9	79.4 Å²	79.4	6%	0.061	49%	0.487	C	S	.	.			trans	-124.2	11.4	-179.1	59.4	0	0	0	0	113	S603 M604 F625 D626	S603-C623 PolarHBondContact O-SG 2.93Å; M604-C623 VanDerWaalsContact C-SG 3.52Å; M604-C623 PolarHBondContact O-N 3.24Å; C623-F625 PolarHBondContact O-N 3.3Å; C623-D626 VanDerWaalsContact CB-OD2 3.28Å; C623-D626 WeakPolarHBondContact CB-OD2 3.44Å; C623-D626 WeakPolarHBondContact O-CB 3.36Å; C623-D626 PolarHBondContact O-N 2.71Å
624	G	82.9	Confident	73.5	Confident	14 Å²	14	80.5 Å²	80.5	14%	0.144	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-9	-174	0	0	0	0	0	116.3	M604	M604-G624 PolarHBondContact O-N 3.24Å
625	F	79.8	Confident	74.4	Confident	117 Å²	117	78.5 Å²	78.5	51%	0.513	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-13.4	172.6	-59.5	-44.9	0	0	0	113.7	H567 F622 C623 S627 L628 S629	H567-F625 AromaticContact CE1-CD2 3.92Å; H567-F625 AromaticContact CE1-CE2 3.6Å; H567-F625 AromaticContact ND1-CE2 3.86Å; F622-F625 HydrophobicContact CD1-CD2 4.46Å; F622-F625 AromaticContact CE1-CD2 3.69Å; F622-F625 HydrophobicContact CE1-CD2 3.69Å; F622-F625 AromaticContact CE1-CE2 3.65Å; F622-F625 HydrophobicContact CE1-CE2 3.65Å; F622-F625 HydrophobicContact CE1-CG 4.16Å; F622-F625 HydrophobicContact CE1-CZ 4.08Å; F622-F625 HydrophobicContact CZ-CE2 4.43Å; F622-F625 HydrophobicContact CZ-CZ 4.43Å; C623-F625 PolarHBondContact O-N 3.3Å; F625-S627 VanDerWaalsContact C-N 3.29Å; F625-S627 PolarHBondContact O-N 2.9Å; F625-L628 HydrophobicContact CD1-CD1 4.14Å; F625-L628 WeakPolarHBondContact O-CB 3.49Å; F625-L628 PolarHBondContact O-N 3.28Å; F625-S629 PolarHBondContact O-N 2.86Å
626	D	74.9	Confident	75	Confident	87 Å²	87	77.2 Å²	77.2	47%	0.465	44%	0.442	S	S	.	.	H	α-helix	trans	-65.5	-36.7	-175.9	-61.8	-10.6	0	0	0	110.8	C623 L628 S629	C623-D626 VanDerWaalsContact CB-OD2 3.28Å; C623-D626 WeakPolarHBondContact CB-OD2 3.44Å; C623-D626 WeakPolarHBondContact O-CB 3.36Å; C623-D626 PolarHBondContact O-N 2.71Å; D626-L628 PolarHBondContact O-N 3.06Å; D626-S629 PolarHBondContact O-N 3.21Å; D626-S629 PolarHBondContact O-OG 2.9Å
627	S	58.4	Low	74.9	Confident	73 Å²	73	75.3 Å²	75.3	51%	0.51	44%	0.435	S	S	.	.	H	α-helix	trans	-69	-14.6	174.8	55.1	0	0	0	0	114.8	F625	F625-S627 VanDerWaalsContact C-N 3.29Å; F625-S627 PolarHBondContact O-N 2.9Å
628	L	56.4	Low	74.3	Confident	125 Å²	125	76.4 Å²	76.4	65%	0.654	45%	0.445	S	S	*	.	H	α-helix	trans	-88.9	-14.5	170.8	-79.2	141.2	0	0	0	112.3	F625 D626	F625-L628 HydrophobicContact CD1-CD1 4.14Å; F625-L628 WeakPolarHBondContact O-CB 3.49Å; F625-L628 PolarHBondContact O-N 3.28Å; D626-L628 PolarHBondContact O-N 3.06Å
629	S	49.8	Very low	73.1	Confident	101 Å²	101	72.8 Å²	72.8	71%	0.706	44%	0.439	S	S	*	.	H	α-helix	trans	-87.6	-12.9	178.2	75.7	0	0	0	0	114	F625 D626	F625-S629 PolarHBondContact O-N 2.86Å; D626-S629 PolarHBondContact O-N 3.21Å; D626-S629 PolarHBondContact O-OG 2.9Å
630	S	47.6	Very low	71.5	Confident	104 Å²	104	73.8 Å²	73.8	73%	0.727	46%	0.456	S	S	*	.			trans	-110.7	24.4	-179	74.3	0	0	0	0	113.4
631	A	39.9	Very low	69.4	Low	149 Å²	149	79.6 Å²	79.6	100%	1.231	49%	0.494	S	S	*	.			trans	-125.5	0	-174.2	0	0	0	0	0	111.8

Retrieved 631 of 631 residues in 305.4 ms (Link to these results)

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