A0A087YNN0_POEFO Loading...

E3 ubiquitin-protein ligase RNF220

AlphaFold DB , UniProt , Accession A0A087YNN0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 616 aa.

Structure Viewer

Loading PAE data...

(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	34.6	Very low	35.4	Very low	235 Å²	235	164.8 Å²	164.8	100%	1.158	83%	0.828	S	S	*	*				0	81.8	0	-60	173.9	-176.6	0	0	106.3
2	D	34.5	Very low	35.4	Very low	143 Å²	143	161.6 Å²	161.6	77%	0.765	83%	0.833	S	S	*	*			cis	67.5	121.2	24	-147.9	40.2	0	0	0	110.3
3	L	37.7	Very low	35.1	Very low	126 Å²	126	158.2 Å²	158.2	66%	0.66	83%	0.832	S	S	*	*			cis	-126.4	-177.2	1.4	-57.6	93	0	0	0	109.2
4	H	44.4	Very low	35	Very low	161 Å²	161	155.1 Å²	155.1	75%	0.745	83%	0.83	S	S	*	*			cis	-122.4	-173.3	4.1	-90.8	-104.7	0	0	0	109.5
5	R	38	Very low	34.9	Very low	228 Å²	228	159.1 Å²	159.1	86%	0.86	83%	0.831	S	S	*	*			cis	74.7	133.4	30.7	-107.2	-176.2	-169.8	123.6	2.6	115.9
6	A	35.6	Very low	35	Very low	95 Å²	95	158.9 Å²	158.9	79%	0.785	83%	0.83	S	S	*	*			cis	-138	160.6	8	0	0	0	0	0	113.2
7	A	34.5	Very low	35.4	Very low	98 Å²	98	156.6 Å²	156.6	81%	0.81	83%	0.827	S	S	*	*			trans	-111.5	149.4	176.7	0	0	0	0	0	111.2
8	F	32.1	Very low	35.1	Very low	220 Å²	220	155.9 Å²	155.9	97%	0.965	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-71.8	128.2	173.2	-79.5	-96.2	0	0	0	110.9
9	K	32.2	Very low	35.7	Very low	166 Å²	166	153.4 Å²	153.4	72%	0.722	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-101.1	128.8	161.1	-114.3	-166.5	168.2	-155.9	0	107.8	E11	K9-E11 IonicContact NZ-OE1 3.69Å; K9-E11 PolarHBondContact NZ-OE1 3.08Å; K9-E11 IonicContact NZ-OE2 2.7Å
10	M	33.9	Very low	35.7	Very low	194 Å²	194	153.8 Å²	153.8	96%	0.956	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-102.1	119.4	163.2	-173.1	-179.9	-68	0	0	106.7
11	E	31.9	Very low	35.6	Very low	147 Å²	147	151.2 Å²	151.2	69%	0.687	82%	0.819	S	S	*	*			trans	-124.5	128.7	-175	-155.1	146.8	-110.5	0	0	108.1	K9	K9-E11 IonicContact NZ-OE1 3.69Å; K9-E11 PolarHBondContact NZ-OE1 3.08Å; K9-E11 IonicContact NZ-OE2 2.7Å
12	S	35.3	Very low	35.5	Very low	126 Å²	126	145.4 Å²	145.4	88%	0.881	80%	0.802	S	S	*	*			trans	-84.8	140.8	-169.4	40.4	0	0	0	0	112.1
13	S	32.2	Very low	36.1	Very low	118 Å²	118	145 Å²	145	83%	0.825	81%	0.806	S	S	*	*			trans	-146	141.9	164.1	-168.8	0	0	0	0	110.6
14	S	33.3	Very low	36	Very low	114 Å²	114	143.4 Å²	143.4	80%	0.797	81%	0.812	S	S	*	*			trans	-99.5	142.1	178.1	-53.5	0	0	0	0	109.6
15	Y	33.2	Very low	35.7	Very low	215 Å²	215	144.1 Å²	144.1	84%	0.843	82%	0.82	S	S	*	*			trans	-132.3	123	172.6	-143.1	-95.6	0	0	0	111.1
16	L	37.1	Very low	35.8	Very low	156 Å²	156	141.3 Å²	141.3	82%	0.817	82%	0.819	S	S	*	*			trans	-111	127.8	172.9	-68.1	173.2	0	0	0	108.3
17	P	41	Very low	35.9	Very low	120 Å²	120	143.2 Å²	143.2	78%	0.779	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-78.7	122.4	166.2	31.1	-30.4	0	0	0	109.8
18	N	30.9	Very low	36	Very low	144 Å²	144	146 Å²	146	77%	0.77	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-89	136.1	173.1	-164.8	60.7	0	0	0	109.8
19	P	45.1	Very low	35.9	Very low	108 Å²	108	139.9 Å²	139.9	70%	0.701	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-80	144.6	-175.2	32	-34.9	0	0	0	112.3
20	L	37	Very low	36	Very low	162 Å²	162	137.1 Å²	137.1	85%	0.848	81%	0.812	S	S	*	*			trans	-134.8	124.3	172.3	-75	178.6	0	0	0	112.7
21	A	33	Very low	35.9	Very low	99 Å²	99	134.3 Å²	134.3	82%	0.818	81%	0.806	S	S	*	*			trans	29.1	128.9	150.3	0	0	0	0	0	121.5
22	S	32.3	Very low	36	Very low	114 Å²	114	132.4 Å²	132.4	80%	0.797	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-61.7	148.7	163.6	-47.5	0	0	0	0	112.8
23	P	47.5	Very low	36	Very low	133 Å²	133	135.5 Å²	135.5	86%	0.864	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-75.7	129.8	174.4	30.8	-33.8	0	0	0	111.9
24	A	35.8	Very low	36	Very low	94 Å²	94	134 Å²	134	78%	0.777	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-102.5	147.7	168.2	0	0	0	0	0	110.6
25	L	37.4	Very low	35.9	Very low	176 Å²	176	133.4 Å²	133.4	92%	0.921	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72.3	128.2	-176.4	-64.4	169.7	0	0	0	111.6
26	M	39.5	Very low	36.1	Very low	168 Å²	168	134.5 Å²	134.5	83%	0.828	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-91.5	121.4	166.7	-81.2	-172.4	-76.2	0	0	110.8
27	V	38.5	Very low	35.9	Very low	135 Å²	135	134.7 Å²	134.7	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-96.6	124	162.8	176.8	0	0	0	0	107.4
28	L	36.2	Very low	35.5	Very low	157 Å²	157	133.5 Å²	133.5	82%	0.822	81%	0.812	S	S	*	*			trans	-114.2	119.7	177.6	-67.8	177.9	0	0	0	110.6
29	A	31	Very low	35.5	Very low	91 Å²	91	131.5 Å²	131.5	75%	0.752	81%	0.809	S	S	*	*			trans	-141.8	102	173.6	0	0	0	0	0	110.3
30	S	33.4	Very low	35.1	Very low	108 Å²	108	134 Å²	134	76%	0.755	82%	0.815	S	S	*	*			trans	-171.6	127.8	163.1	-76.9	0	0	0	0	106.1
31	T	33.3	Very low	35.5	Very low	136 Å²	136	131.5 Å²	131.5	83%	0.834	81%	0.808	S	S	*	*				57.6	101.9	55.9	71.3	0	0	0	0	113.7
32	A	33.3	Very low	35.3	Very low	106 Å²	106	132.2 Å²	132.2	88%	0.876	81%	0.806	S	S	*	*			trans	-149.6	142.9	165.4	0	0	0	0	0	109.4
33	E	34.4	Very low	35.3	Very low	192 Å²	192	135.2 Å²	135.2	90%	0.897	81%	0.807	S	S	*	*			trans	-111	161.7	-179.6	-67	-162.4	124.3	0	0	113.1
34	A	33.1	Very low	34.5	Very low	85 Å²	85	136.4 Å²	136.4	70%	0.702	80%	0.801	S	S	*	*			trans	60.1	99.9	145.2	0	0	0	0	0	121.5
35	S	30.6	Very low	35.1	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	80%	0.801	S	S	*	*				80	125.4	129.3	75.9	0	0	0	0	121.6
36	R	37.7	Very low	35.1	Very low	238 Å²	238	139.6 Å²	139.6	90%	0.898	80%	0.796	S	S	*	*				-167.9	160.3	100.4	-100.9	170.7	168.6	159.8	-1.5	112.5
37	D	33.2	Very low	35.6	Very low	159 Å²	159	137.4 Å²	137.4	85%	0.85	80%	0.795	S	S	*	*			trans	-86.1	152.2	-158.1	-58.4	-97.3	0	0	0	118
38	A	32.7	Very low	35.5	Very low	96 Å²	96	140.8 Å²	140.8	79%	0.793	80%	0.799	S	S	*	*			trans	-163.1	74.6	153.8	0	0	0	0	0	114.6
39	S	30.8	Very low	35.2	Very low	101 Å²	101	136.7 Å²	136.7	71%	0.706	79%	0.794	S	S	*	*			trans	36.2	110.9	146.6	60.2	0	0	0	0	123.9
40	I	36	Very low	35.1	Very low	162 Å²	162	138.6 Å²	138.6	83%	0.831	80%	0.797	S	S	*	*				61.9	140.2	113.8	-72	169.2	0	0	0	120.6
41	P	46.3	Very low	36.1	Very low	108 Å²	108	138.5 Å²	138.5	70%	0.701	79%	0.794	S	S	*	*			cis	-143	-156.1	-20.2	40.8	-18.3	0	0	0	115.4
42	C	29.1	Very low	35.9	Very low	115 Å²	115	139.1 Å²	139.1	78%	0.777	80%	0.797	S	S	*	*			trans	86.4	145.2	166.4	-63.9	0	0	0	0	118.2
43	Q	32.3	Very low	35.9	Very low	176 Å²	176	138.5 Å²	138.5	82%	0.822	79%	0.786	S	S	*	*			cis	-155.2	167.3	-15.7	-111.6	-67.1	9.3	0	0	109.3
44	Q	30.6	Very low	35.8	Very low	158 Å²	158	136.4 Å²	136.4	74%	0.738	79%	0.786	S	S	*	*			trans	-94.7	169.4	178.5	-126.9	-176.3	36.6	0	0	111.9
45	P	48.2	Very low	35.7	Very low	121 Å²	121	140.4 Å²	140.4	79%	0.786	79%	0.79	S	S	*	*				-148.3	176.8	64.5	39.3	-18.4	0	0	0	117.7
46	R	37.1	Very low	35.7	Very low	216 Å²	216	144.8 Å²	144.8	82%	0.815	80%	0.796	S	S	*	*			trans	-107.5	164.5	161	-66.8	-172.7	-178.7	-164.9	2.2	110.8
47	P	50	Low	35.4	Very low	122 Å²	122	139.4 Å²	139.4	79%	0.792	79%	0.785	S	S	*	*				-139.1	171.4	117.1	26.9	-9.5	0	0	0	112
48	F	35.7	Very low	35.4	Very low	206 Å²	206	137.2 Å²	137.2	90%	0.904	78%	0.777	S	S	*	*			cis	176.5	139.8	-32.5	-133.9	-75.8	0	0	0	104.4
49	G	29.9	Very low	35.3	Very low	71 Å²	71	141.2 Å²	141.2	73%	0.732	78%	0.779	S	S	*	*			trans	163.8	109.6	177.9	0	0	0	0	0	114.6
50	V	29.8	Very low	35.4	Very low	132 Å²	132	143.6 Å²	143.6	80%	0.8	78%	0.783	S	S	*	*			trans	-165.9	157.3	-164.2	176.4	0	0	0	0	107.6
51	P	53.8	Low	36.1	Very low	106 Å²	106	140.6 Å²	140.6	69%	0.688	77%	0.774	S	S	*	*			cis	-125.5	-178.6	-23.4	37.5	-22	0	0	0	113.7
52	V	30.4	Very low	35.3	Very low	149 Å²	149	144.9 Å²	144.9	90%	0.903	78%	0.782	S	S	*	*				-135	146.7	127	174.3	0	0	0	0	107.6
53	S	31.8	Very low	35.3	Very low	93 Å²	93	146 Å²	146	65%	0.65	78%	0.78	S	S	*	*			trans	-138.6	147.7	179.7	-176.2	0	0	0	0	111.3
54	V	32.7	Very low	35.1	Very low	147 Å²	147	144.9 Å²	144.9	89%	0.891	78%	0.78	S	S	*	*			trans	-143.2	135.1	152.6	-79.1	0	0	0	0	108.9
55	E	30.4	Very low	35.1	Very low	170 Å²	170	141.1 Å²	141.1	79%	0.794	78%	0.784	S	S	*	*			trans	-92.1	157.3	-173.6	-59.1	151.9	106	0	0	112.5
56	K	31.1	Very low	34.2	Very low	195 Å²	195	140.9 Å²	140.9	85%	0.848	79%	0.785	S	S	*	*				-160.8	141.6	114.9	-151.6	129.4	-169.6	172.2	0	115.4
57	D	30.9	Very low	33.8	Very low	124 Å²	124	141.3 Å²	141.3	66%	0.663	79%	0.788	S	S	*	*			trans	-47.8	170.2	168.5	-62	-85.4	0	0	0	118.3
58	V	33.7	Very low	32.9	Very low	114 Å²	114	140.8 Å²	140.8	69%	0.691	78%	0.783	S	S	*	*			cis	-179.9	134.2	-37.3	114.9	0	0	0	0	107.5
59	H	31.2	Very low	32.7	Very low	179 Å²	179	140 Å²	140	83%	0.829	78%	0.78	S	S	*	*			trans	171.2	147	137.7	-112.1	-82.8	0	0	0	115
60	L	32.5	Very low	32.7	Very low	152 Å²	152	140.8 Å²	140.8	80%	0.796	78%	0.779	S	S	*	*			trans	-117.6	173.8	160.8	-86.8	162.3	0	0	0	107.2
61	P	50.2	Low	32.9	Very low	98 Å²	98	139.4 Å²	139.4	64%	0.636	78%	0.775	S	S	*	*			cis	-154.6	-179	32.9	42.8	-20.3	0	0	0	120.1
62	F	30.3	Very low	31.8	Very low	199 Å²	199	142.2 Å²	142.2	87%	0.873	78%	0.781	S	S	*	*			trans	63.1	161	163.4	-63	-64.5	0	0	0	118
63	N	28.8	Very low	31.9	Very low	137 Å²	137	145.6 Å²	145.6	73%	0.733	78%	0.78	S	S	*	*			cis	-145.4	175.1	8.1	-164.6	16.1	0	0	0	112.8
64	N	28.3	Very low	31.8	Very low	153 Å²	153	148 Å²	148	82%	0.818	78%	0.78	S	S	*	*			trans	-54.1	160.6	167.7	-73	-24.1	0	0	0	115.1
65	G	30.6	Very low	31.8	Very low	80 Å²	80	150.6 Å²	150.6	83%	0.825	77%	0.774	S	S	*	*			trans	163.1	97.7	152.4	0	0	0	0	0	116.3
66	S	29.1	Very low	31.9	Very low	115 Å²	115	149.1 Å²	149.1	80%	0.804	77%	0.767	S	S	*	*			trans	-99.8	134	164.9	49	0	0	0	0	110.8
67	Y	29.6	Very low	31.8	Very low	225 Å²	225	143.7 Å²	143.7	88%	0.882	77%	0.766	S	S	*	*			trans	-159.5	166.3	149.4	-140.9	-105.8	0	0	0	113.9
68	T	31.3	Very low	31.7	Very low	112 Å²	112	142.7 Å²	142.7	69%	0.687	78%	0.775	S	S	*	*			trans	-87	161.9	-179	54	0	0	0	0	112.7
69	F	29.6	Very low	31.7	Very low	189 Å²	189	144.1 Å²	144.1	83%	0.829	78%	0.784	S	S	*	*			trans	-108.3	126.2	171.3	-171	-92.2	0	0	0	110.8
70	A	30	Very low	32.7	Very low	88 Å²	88	141 Å²	141	73%	0.727	78%	0.78	S	S	*	*			trans	-131	134	169.5	0	0	0	0	0	109.1
71	S	34.2	Very low	33.4	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	78%	0.78	S	S	*	*			trans	-74.3	138.8	-169.5	-52.1	0	0	0	0	113.7
72	M	31.1	Very low	32.4	Very low	166 Å²	166	138.5 Å²	138.5	82%	0.818	79%	0.786	S	S	*	*			trans	-158.8	168	160.7	-105.5	-56.4	178.7	0	0	112.4
73	Y	32.9	Very low	32.3	Very low	220 Å²	220	138.7 Å²	138.7	86%	0.863	79%	0.787	S	S	*	*			trans	83.6	151.1	172.6	-57	-74.7	0	0	0	119.1
74	H	29.7	Very low	33.2	Very low	143 Å²	143	137.3 Å²	137.3	66%	0.662	79%	0.786	S	S	*	*				169.9	135.4	-56.9	170.7	97.9	0	0	0	111.5
75	R	31.7	Very low	33.3	Very low	201 Å²	201	136.6 Å²	136.6	76%	0.758	78%	0.782	S	S	*	*			trans	168.9	128.6	143.2	-95.2	-167.2	-167.3	-115.5	7	110.6
76	Q	32.6	Very low	33.4	Very low	140 Å²	140	142 Å²	142	65%	0.654	78%	0.777	S	S	*	*				67.6	135.3	86	-64.3	175.3	1.9	0	0	115.5
77	G	29.4	Very low	33.6	Very low	80 Å²	80	141.2 Å²	141.2	83%	0.825	76%	0.764	S	S	*	*			cis	150.1	144.1	-9.7	0	0	0	0	0	114.2
78	A	29.4	Very low	33.6	Very low	104 Å²	104	140.1 Å²	140.1	86%	0.86	76%	0.764	S	S	*	*			trans	-167.1	152.7	167.9	0	0	0	0	0	113.9
79	V	33	Very low	34.5	Very low	143 Å²	143	139.9 Å²	139.9	87%	0.867	76%	0.764	S	S	*	*			trans	-164.5	179.4	175	-115.8	0	0	0	0	106.8
80	P	51.8	Low	35.6	Very low	114 Å²	114	136.1 Å²	136.1	74%	0.74	76%	0.759	S	S	*	*			cis	-129.5	-144.7	1.7	43.5	-22.5	0	0	0	110.3
81	P	48.1	Very low	35.7	Very low	123 Å²	123	136.2 Å²	136.2	80%	0.799	75%	0.754	S	S	*	*			cis	-133.9	165.3	-13.9	38.6	-20.4	0	0	0	117.8
82	G	29.4	Very low	35.7	Very low	75 Å²	75	138.8 Å²	138.8	77%	0.773	76%	0.759	S	S	*	*			trans	165.6	107.3	163.2	0	0	0	0	0	113.7
83	F	27.6	Very low	35.7	Very low	203 Å²	203	136.7 Å²	136.7	89%	0.89	75%	0.751	S	S	*	*			trans	-125.9	166.5	-179.5	-83.7	-79.1	0	0	0	111.2
84	P	48.5	Very low	35.8	Very low	108 Å²	108	133.1 Å²	133.1	70%	0.701	74%	0.742	S	S	*	*			cis	-110.1	-135.9	-11.8	26.2	-2.7	0	0	0	109.4
85	N	29.1	Very low	36	Very low	138 Å²	138	133.5 Å²	133.5	74%	0.738	75%	0.748	S	S	*	*			cis	-165.5	177.2	0.5	-138.2	-6.5	0	0	0	107.3
86	R	34.4	Very low	36	Very low	192 Å²	192	131.5 Å²	131.5	73%	0.725	75%	0.747	S	S	*	*			cis	-156.8	160.8	-0.5	-174.2	166.1	169.4	-156.2	-15	110.1
87	D	31.7	Very low	35.8	Very low	99 Å²	99	131.7 Å²	131.7	53%	0.529	75%	0.747	S	S	.	*			trans	16.5	123.4	159.8	-53.8	-2.2	0	0	0	123.2
88	F	29.8	Very low	35.9	Very low	203 Å²	203	134.8 Å²	134.8	89%	0.89	74%	0.74	S	S	*	*			trans	48.6	152.1	134.1	-74.7	-89.6	0	0	0	124.5
89	P	49.8	Very low	36	Very low	106 Å²	106	138.6 Å²	138.6	69%	0.688	74%	0.738	S	S	*	*			trans	-110.5	-157.8	-173	48.5	-36.9	0	0	0	110.9
90	P	53.7	Low	35.9	Very low	110 Å²	110	136.1 Å²	136.1	71%	0.714	73%	0.732	S	S	*	*			cis	-129.8	-144.3	-9	35.6	-12.9	0	0	0	111.8
91	S	31.7	Very low	35.6	Very low	91 Å²	91	136.3 Å²	136.3	64%	0.636	73%	0.734	S	S	*	*			trans	108	115.5	144	-68	0	0	0	0	120.5
92	L	34.1	Very low	35.6	Very low	156 Å²	156	135 Å²	135	82%	0.817	73%	0.725	S	S	*	*			trans	71.6	149.9	146.9	-50.1	169.4	0	0	0	117.4
93	L	32.2	Very low	35.5	Very low	121 Å²	121	138 Å²	138	63%	0.634	72%	0.723	S	S	*	*			cis	-162.1	164.2	-14.5	-110.6	176.9	0	0	0	111.8
94	H	34.1	Very low	35.9	Very low	146 Å²	146	134.6 Å²	134.6	68%	0.676	71%	0.714	S	S	*	*			trans	51.6	122.2	153.3	-66.8	127.8	0	0	0	123.6
95	L	33.9	Very low	35	Very low	151 Å²	151	136.3 Å²	136.3	79%	0.791	72%	0.717	S	S	*	*				35.9	132.7	129.3	-86.2	58.6	0	0	0	121.2
96	H	31.5	Very low	35	Very low	159 Å²	159	136 Å²	136	74%	0.736	72%	0.724	S	S	*	*				-164.7	178.7	88.9	-158.7	-110.9	0	0	0	113.3
97	H	28.6	Very low	35	Very low	144 Å²	144	132.3 Å²	132.3	67%	0.667	73%	0.728	S	S	*	*			trans	-71.8	159.4	-176.9	-72.4	-117.3	0	0	0	115.2
98	Q	31.3	Very low	35.9	Very low	144 Å²	144	133 Å²	133	67%	0.673	74%	0.738	S	S	*	*				146.7	143.9	96.7	-130.3	164.5	34.7	0	0	114.8
99	F	31.3	Very low	36.2	Very low	185 Å²	185	130.8 Å²	130.8	81%	0.811	73%	0.733	S	S	*	*			trans	68.1	132.8	166.7	-61.2	-66.5	0	0	0	121.7
100	A	30.4	Very low	35.2	Very low	90 Å²	90	130.5 Å²	130.5	74%	0.744	73%	0.734	S	S	*	*			trans	-100.1	-163.1	162.4	0	0	0	0	0	108.2
101	P	46.4	Very low	34.4	Very low	119 Å²	119	133.1 Å²	133.1	77%	0.773	74%	0.739	S	S	*	*			cis	-130.6	-144.1	7.9	35.1	-8.2	0	0	0	109.9
102	P	47.4	Very low	34.6	Very low	96 Å²	96	134.7 Å²	134.7	62%	0.623	74%	0.74	S	S	*	*			cis	-144	173.5	-5.1	45.1	-26.9	0	0	0	119
103	N	28.5	Very low	34.6	Very low	137 Å²	137	132.6 Å²	132.6	73%	0.733	73%	0.729	S	S	*	*			trans	64.5	152.5	148	-63.2	-10.3	0	0	0	120.5
104	L	35.4	Very low	34.8	Very low	132 Å²	132	134.8 Å²	134.8	69%	0.691	74%	0.736	S	S	*	*			cis	-159.5	158.8	-20.2	-110.3	167.9	0	0	0	109.3
105	D	29.3	Very low	34.7	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	75%	0.745	S	S	*	*			trans	15.4	133.9	161.1	-59.4	-20.7	0	0	0	122.9
106	C	29.3	Very low	34.7	Very low	132 Å²	132	129.8 Å²	129.8	89%	0.892	74%	0.74	S	S	*	*				-165.1	123	121.7	-119.8	0	0	0	0	113.6
107	S	35.4	Very low	35.2	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	75%	0.749	S	S	*	*			trans	-138.2	149.7	161.5	-73.7	0	0	0	0	107.3
108	P	49.4	Very low	35.5	Very low	114 Å²	114	126 Å²	126	74%	0.74	75%	0.753	S	S	*	*				-160.3	-178.2	103	40.3	-19.7	0	0	0	116.9
109	I	36.9	Very low	35.6	Very low	155 Å²	155	123 Å²	123	80%	0.795	75%	0.752	S	S	*	*			trans	71	118.6	164.3	-48.5	177.7	0	0	0	115.6
110	S	28.9	Very low	36	Very low	100 Å²	100	124.1 Å²	124.1	70%	0.699	76%	0.757	S	S	*	*			cis	97.4	135.4	17.3	-160.8	0	0	0	0	116.7
111	M	35.9	Very low	36.8	Very low	165 Å²	165	130.7 Å²	130.7	81%	0.813	76%	0.763	S	S	*	*			trans	145.5	109	172	-82.1	-83.5	-81.7	0	0	107.2
112	L	36.8	Very low	36.5	Very low	125 Å²	125	131.3 Å²	131.3	65%	0.654	77%	0.767	S	S	*	*				67.3	139.1	57.3	-52.6	173.6	0	0	0	112.5
113	N	33.1	Very low	35.8	Very low	111 Å²	111	136.4 Å²	136.4	59%	0.594	78%	0.78	S	S	*	*			cis	-169.9	160.3	-5.4	-102	-12.1	0	0	0	107.7
114	H	36	Very low	35.8	Very low	167 Å²	167	134.6 Å²	134.6	77%	0.773	78%	0.783	S	S	*	*			cis	-136	-138.2	-8.5	-80	-60.3	0	0	0	106.6
115	S	32.5	Very low	35.7	Very low	124 Å²	124	133.7 Å²	133.7	87%	0.867	79%	0.788	S	S	*	*			cis	-166.2	175.3	-4.1	-157.1	0	0	0	0	110.9
116	G	34.9	Very low	36.3	Very low	68 Å²	68	132.6 Å²	132.6	70%	0.701	79%	0.789	S	S	*	*			trans	129.9	86.4	157	0	0	0	0	0	119.2
117	V	42.5	Very low	36.8	Very low	153 Å²	153	132.1 Å²	132.1	93%	0.927	78%	0.784	S	S	*	*			trans	-11.4	143.7	156.9	-161	0	0	0	0	117.4
118	G	34.3	Very low	36.8	Very low	72 Å²	72	136.1 Å²	136.1	74%	0.742	79%	0.79	S	S	*	*			cis	165.5	177.8	5.2	0	0	0	0	0	108.7
119	A	34	Very low	36.2	Very low	79 Å²	79	138.1 Å²	138.1	65%	0.653	80%	0.795	S	S	*	*			cis	-154.7	173.9	3.6	0	0	0	0	0	111.6
120	F	38.4	Very low	36.1	Very low	209 Å²	209	141 Å²	141	92%	0.917	80%	0.795	S	S	*	*			trans	66.9	100.9	171.2	-52.4	-64.7	0	0	0	118.8
121	R	46.7	Very low	36.3	Very low	228 Å²	228	142.3 Å²	142.3	86%	0.86	80%	0.795	S	S	*	*			trans	-127.4	148.1	155.4	-73.7	178.1	172.2	-107.4	0.2	108.3
122	P	41.4	Very low	36.1	Very low	133 Å²	133	138.1 Å²	138.1	86%	0.864	79%	0.794	S	S	*	*			trans	-67.5	146.7	166.8	-14.4	29.6	0	0	0	110.8
123	F	31.1	Very low	36.2	Very low	203 Å²	203	138.8 Å²	138.8	89%	0.89	80%	0.803	S	S	*	*			trans	-111.2	135.6	168.4	-95	-85	0	0	0	110.5
124	A	29.9	Very low	36.6	Very low	98 Å²	98	139.6 Å²	139.6	81%	0.81	81%	0.814	S	S	*	*			trans	-95.6	153.3	155.1	0	0	0	0	0	108.9
125	S	33.5	Very low	36.5	Very low	113 Å²	113	135.6 Å²	135.6	79%	0.79	82%	0.818	S	S	*	*			trans	-122.9	152.3	176.3	52	0	0	0	0	110.8
126	P	41.1	Very low	36.5	Very low	120 Å²	120	133.2 Å²	133.2	78%	0.779	81%	0.814	S	S	*	*			trans	-79.6	169.1	-169.6	33.5	-37.2	0	0	0	113.8
127	P	40.4	Very low	36.4	Very low	123 Å²	123	141.6 Å²	141.6	80%	0.799	83%	0.826	S	S	*	*			trans	-90.2	148.3	-179	35.8	-34.8	0	0	0	113.7
128	E	35.8	Very low	36.2	Very low	198 Å²	198	143.5 Å²	143.5	93%	0.925	82%	0.824	S	S	*	*			trans	-155.7	149.3	157	-113.7	176.4	127.9	0	0	109.9
129	D	35.5	Very low	36.4	Very low	157 Å²	157	145.8 Å²	145.8	84%	0.84	83%	0.829	S	S	*	*			trans	-96.1	139.8	-172.2	-77.8	-80.5	0	0	0	113.7
130	R	34.4	Very low	36.4	Very low	214 Å²	214	145.2 Å²	145.2	81%	0.808	83%	0.825	S	S	*	*				153.1	140	121.4	-82.4	-171.5	68	-174.7	-2.3	115.2
131	D	34.7	Very low	36.9	Very low	128 Å²	128	144.9 Å²	144.9	68%	0.684	82%	0.823	S	S	*	*			trans	40.5	99.6	147.7	-56.1	-39	0	0	0	120.4
132	G	30.8	Very low	36.6	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	82%	0.823	S	S	*	*			trans	-178.5	118.2	163.7	0	0	0	0	0	115.3
133	V	38.2	Very low	36.7	Very low	140 Å²	140	140.7 Å²	140.7	85%	0.848	82%	0.823	S	S	*	*			trans	-143.5	148.6	178.3	172.4	0	0	0	0	107.8
134	P	42	Very low	36.9	Very low	127 Å²	127	135.7 Å²	135.7	83%	0.825	82%	0.819	S	S	*	*			cis	-118.7	174.2	-4.5	35.7	-20.4	0	0	0	114.2
135	G	34.1	Very low	37.7	Very low	83 Å²	83	140.5 Å²	140.5	86%	0.856	82%	0.822	S	S	*	*			trans	-174.4	103.9	165.3	0	0	0	0	0	112.7
136	G	31.8	Very low	37.9	Very low	75 Å²	75	145.5 Å²	145.5	77%	0.773	82%	0.823	S	S	*	*			trans	-96	145.5	178.5	0	0	0	0	0	112.9
137	Y	34.8	Very low	37.6	Very low	244 Å²	244	145.7 Å²	145.7	96%	0.957	82%	0.817	S	S	*	*			trans	-137.9	142	163.4	-120.5	-93.1	0	0	0	109.9
138	Q	37.9	Very low	37.5	Very low	192 Å²	192	149.4 Å²	149.4	90%	0.897	82%	0.821	S	S	*	*			trans	-103.1	162.9	-169.8	-80.6	-175.8	-24.4	0	0	114
139	S	38.7	Very low	37.3	Very low	120 Å²	120	143.2 Å²	143.2	84%	0.839	81%	0.81	S	S	*	*			trans	-48	155.9	173.6	-171.5	0	0	0	0	114.5
140	A	34.2	Very low	36.9	Very low	68 Å²	68	141.4 Å²	141.4	56%	0.562	81%	0.808	S	S	*	*			trans	-106.7	143	172.1	0	0	0	0	0	111.7
141	F	48	Very low	36.9	Very low	202 Å²	202	138.4 Å²	138.4	89%	0.886	81%	0.807	S	S	*	*			trans	76.4	80	167.4	-50.2	-68.8	0	0	0	119.5
142	T	40.3	Very low	36.7	Very low	139 Å²	139	138.7 Å²	138.7	85%	0.853	81%	0.809	S	S	*	*			trans	-132.6	155.8	133.3	47.6	0	0	0	0	109.9
143	P	42.5	Very low	36.7	Very low	134 Å²	134	138.7 Å²	138.7	87%	0.87	80%	0.801	S	S	*	*			trans	-87.5	164	-163.5	33.8	-36.4	0	0	0	115.3
144	A	37.3	Very low	36.2	Very low	98 Å²	98	140.3 Å²	140.3	81%	0.81	80%	0.8	S	S	*	*			trans	-110.5	152.5	-162.8	0	0	0	0	0	116.4
145	K	45.7	Very low	35.7	Very low	199 Å²	199	137.8 Å²	137.8	87%	0.865	79%	0.79	S	S	*	*			trans	-160.9	111.6	151.4	-112.4	163.5	-174.9	172.1	0	113.9
146	R	38	Very low	35.6	Very low	218 Å²	218	139.5 Å²	139.5	82%	0.823	79%	0.789	S	S	*	*			trans	22.4	146.5	133	-56.6	-175.2	88.3	114.5	-1.7	118.9
147	L	34.2	Very low	36.2	Very low	124 Å²	124	142.3 Å²	142.3	65%	0.649	79%	0.793	S	S	*	*			cis	-171.3	145.1	15.7	-127.8	167.2	0	0	0	112
148	K	38.9	Very low	35.9	Very low	201 Å²	201	138.5 Å²	138.5	87%	0.874	78%	0.784	S	S	*	*			trans	60.9	137.4	154.4	-133.8	74.2	174.2	177.9	0	118.5
149	G	30.8	Very low	35.5	Very low	67 Å²	67	135.1 Å²	135.1	69%	0.691	77%	0.771	S	S	*	*			cis	-171.9	178.9	-1.8	0	0	0	0	0	113
150	C	28.7	Very low	35	Very low	119 Å²	119	140.8 Å²	140.8	80%	0.804	77%	0.774	S	S	*	*			trans	-49.8	158.1	-176	-81.9	0	0	0	0	116.5
151	L	32.5	Very low	34.8	Very low	152 Å²	152	148.5 Å²	148.5	80%	0.796	79%	0.79	S	S	*	*			cis	-146.8	149.2	45.5	-72.9	159.2	0	0	0	115.2
152	D	30.8	Very low	34	Very low	134 Å²	134	143.9 Å²	143.9	72%	0.717	78%	0.783	S	S	*	*			trans	29.6	148.8	135.1	-64	-85.1	0	0	0	123.5
153	A	31.3	Very low	33.4	Very low	77 Å²	77	144 Å²	144	64%	0.636	78%	0.779	S	S	*	*			cis	-168.4	174.3	-6.8	0	0	0	0	0	112
154	E	28.3	Very low	32.9	Very low	173 Å²	173	141.2 Å²	141.2	81%	0.808	77%	0.767	S	S	*	*			trans	41.2	121.9	162.8	-56.5	-61.5	75.1	0	0	119.8
155	A	30.3	Very low	32.6	Very low	75 Å²	75	146.1 Å²	146.1	62%	0.62	77%	0.773	S	S	*	*			cis	83.2	76	20.8	0	0	0	0	0	117.8
156	S	32.9	Very low	32	Very low	119 Å²	119	139.7 Å²	139.7	83%	0.832	76%	0.763	S	S	*	*			trans	66.5	-171.4	163.1	-50.7	0	0	0	0	114
157	P	44.9	Very low	31.7	Very low	133 Å²	133	138.9 Å²	138.9	86%	0.864	77%	0.765	S	S	*	*			cis	-127	-146	-8.6	41.2	-22.1	0	0	0	114.1
158	H	27.8	Very low	31.4	Very low	165 Å²	165	140.3 Å²	140.3	76%	0.764	77%	0.769	S	S	*	*			trans	-124.8	152.4	-159.7	173.5	53.2	0	0	0	112.7
159	L	30.6	Very low	30.9	Very low	121 Å²	121	140 Å²	140	63%	0.634	76%	0.764	S	S	*	*			trans	72.4	128.5	173.5	-58.3	173.2	0	0	0	119.6
160	R	27.2	Very low	30.7	Very low	238 Å²	238	143.5 Å²	143.5	90%	0.898	77%	0.767	S	S	*	*				-166.6	-173.8	93.8	-90.9	-68.1	169.1	137.4	-0.5	110.9
161	Y	30.8	Very low	30.5	Very low	230 Å²	230	146.8 Å²	146.8	90%	0.902	77%	0.768	S	S	*	*			trans	-130.1	138.2	-153.4	-139.4	-85.2	0	0	0	113.2
162	S	31.1	Very low	30.3	Very low	105 Å²	105	143.1 Å²	143.1	73%	0.734	77%	0.766	S	S	*	*			trans	175.5	156.3	156	-114	0	0	0	0	106.5
163	D	28.2	Very low	30.1	Very low	142 Å²	142	139.9 Å²	139.9	76%	0.759	77%	0.765	S	S	*	*			cis	-145.7	142.1	19.1	-135.1	31	0	0	0	109.1
164	A	30.9	Very low	30.1	Very low	76 Å²	76	142.3 Å²	142.3	63%	0.628	77%	0.772	S	S	*	*				86.4	135	99.6	0	0	0	0	0	117.1
165	E	31.9	Very low	30.1	Very low	201 Å²	201	141.9 Å²	141.9	94%	0.939	77%	0.77	S	S	*	*			trans	51.5	129.7	157.7	-59.7	-179.3	-176.1	0	0	121
166	G	31.8	Very low	30.1	Very low	63 Å²	63	145.3 Å²	145.3	65%	0.649	78%	0.776	S	S	*	*			cis	155	138.7	-11.2	0	0	0	0	0	114.4
167	K	33	Very low	30.9	Very low	201 Å²	201	144.9 Å²	144.9	87%	0.874	77%	0.77	S	S	*	*			trans	70.8	160.9	172.3	-32.9	169.3	-173	167.3	0	113.6
168	E	26.7	Very low	31	Very low	154 Å²	154	144.1 Å²	144.1	72%	0.72	77%	0.765	S	S	*	*			cis	-153	175	-0.4	102.8	-178.7	125.9	0	0	114.8
169	Y	28.5	Very low	30.9	Very low	195 Å²	195	140.3 Å²	140.3	77%	0.765	77%	0.771	S	S	*	*			trans	-38.5	169.4	176.2	-38.4	-69.7	0	0	0	117.8
170	D	26.1	Very low	30.5	Very low	141 Å²	141	138.4 Å²	138.4	75%	0.754	78%	0.781	S	S	*	*			cis	-178.2	170.6	-22.3	178.9	24.6	0	0	0	108.2
171	F	24.7	Very low	30.6	Very low	188 Å²	188	132.8 Å²	132.8	83%	0.825	78%	0.778	S	S	*	*			trans	76	120.8	150.9	-132.7	-89.6	0	0	0	123.3
172	G	28	Very low	31.3	Very low	75 Å²	75	127.1 Å²	127.1	77%	0.773	77%	0.769	S	S	*	*			trans	79.9	159.2	147.8	0	0	0	0	0	119.5
173	G	26.6	Very low	31.2	Very low	66 Å²	66	126.9 Å²	126.9	68%	0.68	77%	0.767	S	S	*	*			cis	165	79.3	-9.3	0	0	0	0	0	117.3
174	T	31.9	Very low	31.4	Very low	127 Å²	127	125.5 Å²	125.5	78%	0.779	77%	0.769	S	S	*	*			trans	63.2	138.3	165.6	61.2	0	0	0	0	120.7
175	Q	28.8	Very low	31.3	Very low	165 Å²	165	126 Å²	126	77%	0.771	77%	0.773	S	S	*	*				155.8	151.1	121.5	-73.4	-53.3	-13.1	0	0	114.2
176	I	30.6	Very low	31.2	Very low	146 Å²	146	123.7 Å²	123.7	75%	0.749	77%	0.766	S	S	*	*			trans	-92.1	-168.9	-160.6	-15.1	177.9	0	0	0	113.1
177	P	48.2	Very low	31.2	Very low	110 Å²	110	130 Å²	130	71%	0.714	78%	0.776	S	S	*	*				-101.2	-132.1	-93.8	37.9	-15	0	0	0	112
178	P	48.5	Very low	31.1	Very low	117 Å²	117	124.5 Å²	124.5	76%	0.76	77%	0.768	S	S	*	*			cis	-135.9	164.8	-29.1	37.1	-19.1	0	0	0	117.7
179	G	24.6	Very low	31.2	Very low	86 Å²	86	123 Å²	123	89%	0.887	77%	0.769	S	S	*	*			trans	86.4	162	136.5	0	0	0	0	0	121.4
180	G	23	Very low	31.2	Very low	81 Å²	81	122.3 Å²	122.3	84%	0.835	77%	0.773	S	S	*	*			trans	131.9	141.3	164.9	0	0	0	0	0	117.6
181	S	27.9	Very low	31.5	Very low	119 Å²	119	122 Å²	122	83%	0.832	77%	0.771	S	S	*	*			trans	-118	-163.8	168.4	-48.3	0	0	0	0	108.5
182	P	46.4	Very low	32.2	Very low	112 Å²	112	116.8 Å²	116.8	73%	0.727	76%	0.758	S	S	*	*			cis	-145.2	-169.9	-3.7	43.6	-23	0	0	0	117.2
183	S	29	Very low	32.4	Very low	99 Å²	99	116.1 Å²	116.1	69%	0.692	75%	0.751	S	S	*	*			trans	79.6	133.5	138.7	-70.5	0	0	0	0	125.8
184	S	31.6	Very low	33.2	Very low	114 Å²	114	121.4 Å²	121.4	80%	0.797	76%	0.756	S	S	*	*			trans	71.6	156	137	67.1	0	0	0	0	120.8
185	A	29.5	Very low	33.4	Very low	85 Å²	85	123.9 Å²	123.9	70%	0.702	76%	0.755	S	S	*	*			cis	-172.1	-163.3	-23.1	0	0	0	0	0	110
186	L	29.7	Very low	33.6	Very low	154 Å²	154	122.5 Å²	122.5	81%	0.806	75%	0.752	S	S	*	*			trans	90	116.3	179.3	-53.3	177.8	0	0	0	114.4
187	K	32.5	Very low	33.4	Very low	195 Å²	195	124.1 Å²	124.1	85%	0.848	75%	0.754	S	S	*	*				82.1	139.5	65.9	-80.4	-162.4	176	-173.2	0	113.6
188	A	29.7	Very low	32.6	Very low	86 Å²	86	122.8 Å²	122.8	71%	0.711	75%	0.752	S	S	*	*			cis	-172.8	174	-13.5	0	0	0	0	0	111.4
189	V	28.3	Very low	31.7	Very low	123 Å²	123	124.3 Å²	124.3	75%	0.745	76%	0.759	S	S	*	*			trans	126.5	129	137.3	100.9	0	0	0	0	118.9
190	E	30.3	Very low	32.3	Very low	179 Å²	179	126 Å²	126	84%	0.836	76%	0.757	S	S	*	*			trans	49.1	165.5	156.2	-76.6	165.6	121.5	0	0	124
191	D	32.4	Very low	32.5	Very low	134 Å²	134	125.3 Å²	125.3	72%	0.717	75%	0.75	S	S	*	*				-164.2	160.1	-66.8	179	51	0	0	0	110.2
192	S	37.9	Very low	33	Very low	80 Å²	80	127.3 Å²	127.3	56%	0.559	75%	0.75	S	S	*	*			trans	59.6	134.5	162.1	-81.8	0	0	0	0	119.7
193	G	32.5	Very low	32.4	Very low	61 Å²	61	129.4 Å²	129.4	63%	0.629	76%	0.755	S	S	*	*			cis	139.8	165.7	-5.3	0	0	0	0	0	113.4
194	K	43	Very low	32.5	Very low	177 Å²	177	129.5 Å²	129.5	77%	0.77	76%	0.755	S	S	*	*			trans	79.6	146.7	171.2	-43.9	136.9	-163.5	165.2	0	114.2
195	K	36.8	Very low	32.5	Very low	178 Å²	178	130.7 Å²	130.7	77%	0.774	75%	0.753	S	S	*	*			cis	-172.5	146.3	-8.1	-117.1	-179.6	-176.2	-175.7	0	111.4
196	I	34	Very low	32.7	Very low	136 Å²	136	137.7 Å²	137.7	70%	0.697	76%	0.761	S	S	*	*			trans	26	153.5	150.3	51.5	174.8	0	0	0	122.1
197	F	26.3	Very low	32.9	Very low	181 Å²	181	138 Å²	138	79%	0.794	76%	0.758	S	S	*	*			cis	-128	162.6	14.9	-83.4	-110.8	0	0	0	110
198	A	30.8	Very low	32.9	Very low	82 Å²	82	135.8 Å²	135.8	68%	0.678	76%	0.761	S	S	*	*			cis	94	118	22.7	0	0	0	0	0	117.1
199	V	29.1	Very low	32.9	Very low	148 Å²	148	137.1 Å²	137.1	90%	0.897	77%	0.766	S	S	*	*			trans	-157.6	149.8	162.9	133.3	0	0	0	0	108.5
200	S	36.8	Very low	32.9	Very low	122 Å²	122	137 Å²	137	85%	0.853	77%	0.77	S	S	*	*			trans	-143.2	157.6	-168.3	-56.7	0	0	0	0	115.1
201	G	28.8	Very low	32.7	Very low	66 Å²	66	133.7 Å²	133.7	68%	0.68	77%	0.767	S	S	*	*			trans	164.8	114.7	167.7	0	0	0	0	0	108.7
202	L	37.2	Very low	33.4	Very low	161 Å²	161	131.8 Å²	131.8	84%	0.843	76%	0.762	S	S	*	*			cis	62.6	128.5	47.3	-48.4	-177.7	0	0	0	110.7
203	L	33.5	Very low	33	Very low	156 Å²	156	136.5 Å²	136.5	82%	0.817	78%	0.775	S	S	*	*			cis	-143.2	172.7	33.6	-66	161	0	0	0	110.4
204	S	32.6	Very low	33	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	78%	0.778	S	S	*	*			cis	-157.6	172.6	-4	-122.5	0	0	0	0	111.5
205	D	31.6	Very low	32.5	Very low	140 Å²	140	143 Å²	143	75%	0.749	79%	0.786	S	S	*	*			trans	-67	163.6	-173.7	-49	-101.7	0	0	0	117.7
206	R	33.3	Very low	32.6	Very low	231 Å²	231	140.9 Å²	140.9	87%	0.872	78%	0.781	S	S	*	*				-165.4	97	111.9	-171.8	154.3	169.7	175.2	-7.4	114.8
207	E	33.9	Very low	32.7	Very low	160 Å²	160	142.2 Å²	142.2	75%	0.748	79%	0.785	S	S	*	*			trans	24.1	119.1	142.7	-55.5	176.4	107.8	0	0	121.3
208	T	31.1	Very low	33.1	Very low	149 Å²	149	145.3 Å²	145.3	91%	0.914	79%	0.791	S	S	*	*				-162.8	149.2	108.2	8.3	0	0	0	0	111.7
209	S	31.6	Very low	33.6	Very low	115 Å²	115	147.7 Å²	147.7	80%	0.804	80%	0.801	S	S	*	*			trans	-85.9	168.2	176	53.4	0	0	0	0	110.8
210	S	28.1	Very low	34.1	Very low	120 Å²	120	150.3 Å²	150.3	84%	0.839	80%	0.801	S	S	*	*			cis	-160.6	-161.3	40.8	59.8	0	0	0	0	114.3
211	S	26.3	Very low	34	Very low	109 Å²	109	153.7 Å²	153.7	76%	0.762	80%	0.8	S	S	*	*			trans	-161.7	163.9	-160.7	-175.3	0	0	0	0	109.2
212	P	45.8	Very low	34.6	Very low	95 Å²	95	160.8 Å²	160.8	62%	0.617	81%	0.812	S	S	*	*			cis	-130.3	-166.5	-20.2	29.4	-6.4	0	0	0	113.9
213	E	30.9	Very low	34.4	Very low	178 Å²	178	160.7 Å²	160.7	83%	0.832	81%	0.809	S	S	*	*			trans	79	124	143.2	-84.7	163.3	162.3	0	0	123.6
214	D	31.4	Very low	34.4	Very low	130 Å²	130	157.6 Å²	157.6	70%	0.695	80%	0.801	S	S	*	*			trans	40.5	111	149.9	-105.4	-55.7	0	0	0	123.1
215	R	33.8	Very low	34.9	Very low	246 Å²	246	161.2 Å²	161.2	93%	0.928	81%	0.811	S	S	*	*				-155.9	142.5	98.5	-143	167.3	162.3	165.7	-5.3	114.1
216	I	38.5	Very low	35.5	Very low	133 Å²	133	164.4 Å²	164.4	68%	0.682	81%	0.814	S	S	*	*			trans	-81.1	163.1	-173.3	-71.2	164.7	0	0	0	113.6
217	E	36.4	Very low	36	Very low	164 Å²	164	157.8 Å²	157.8	77%	0.766	80%	0.796	S	S	*	*			trans	76.4	88.5	164.7	-89.5	165.6	-149.4	0	0	120.8
218	R	34.8	Very low	36.7	Very low	245 Å²	245	156.6 Å²	156.6	93%	0.925	81%	0.805	S	S	*	*				-163.6	68.8	124.4	-106.8	177	-149.7	80.3	-9.8	112	K220	R218-K220 PolarHBondContact O-N 2.88Å
219	C	40.8	Very low	38.1	Very low	133 Å²	133	157.7 Å²	157.7	90%	0.899	80%	0.8	S	S	*	*			trans	-80.9	87.6	-176.6	-160.8	0	0	0	0	112.8
220	K	38.6	Very low	39.9	Very low	203 Å²	203	153.4 Å²	153.4	88%	0.883	77%	0.772	S	S	*	*			trans	-131.9	68	167.1	-76.6	-164.5	174.4	-177.9	0	113.3	R218	R218-K220 PolarHBondContact O-N 2.88Å
221	K	34.3	Very low	42.4	Very low	192 Å²	192	149.2 Å²	149.2	84%	0.835	74%	0.741	S	S	*	*			trans	33.5	87.8	140.9	-165.8	171.9	-176.3	174.2	0	116.8	M223	K221-M223 HydrophobicContact CG-CB 4.25Å
222	K	41.8	Very low	45.3	Very low	216 Å²	216	147.6 Å²	147.6	94%	0.939	73%	0.727	S	S	*	*			trans	-105.7	67.2	158.2	-159.1	-179.7	-171.8	-175.7	0	109.4
223	M	34.1	Very low	47.3	Very low	159 Å²	159	143.1 Å²	143.1	78%	0.783	70%	0.698	S	S	*	*			trans	-80.2	142.2	178.9	-168.7	60.6	173.7	0	0	110.3	K221	K221-M223 HydrophobicContact CG-CB 4.25Å
224	S	33.5	Very low	49.7	Very low	91 Å²	91	139.9 Å²	139.9	64%	0.636	69%	0.692	S	S	*	*			trans	-58.2	143.3	-173.2	-166.3	0	0	0	0	113.5	Y226	S224-Y226 PolarHBondContact O-N 2.67Å; S224-Y226 VanDerWaalsContact O-N 3.09Å
225	L	43.2	Very low	52.3	Low	176 Å²	176	137.1 Å²	137.1	92%	0.921	68%	0.677	S	S	*	*	S	Bend	trans	-80.8	70.9	163.7	-73.7	170.5	0	0	0	109.2
226	Y	43.4	Very low	54.9	Low	207 Å²	207	127.7 Å²	127.7	81%	0.812	65%	0.648	S	S	*	*			trans	-145.5	149.5	168.2	-140.1	-96.8	0	0	0	110.5	S224	S224-Y226 PolarHBondContact O-N 2.67Å; S224-Y226 VanDerWaalsContact O-N 3.09Å
227	D	45	Very low	57	Low	93 Å²	93	129 Å²	129	50%	0.497	65%	0.651	S	S	.	*			trans	61.3	93.3	-173.9	-155.6	-8.7	0	0	0	115.8	Q229 A230	D227-Q229 PolarHBondContact OD1-N 3.01Å; D227-A230 PolarHBondContact OD1-N 2.8Å
228	S	47.7	Very low	59.5	Low	134 Å²	134	124.7 Å²	124.7	94%	0.937	64%	0.636	S	S	*	*	S	Bend	trans	-119.8	27.5	158.1	-54.9	0	0	0	0	110.1
229	Q	61.3	Low	62.1	Low	172 Å²	172	119 Å²	119	80%	0.804	62%	0.623	S	S	*	*			trans	-143.7	7.9	-165.3	-157.9	153.6	23.7	0	0	114.4	D227 P231	D227-Q229 PolarHBondContact OD1-N 3.01Å; Q229-P231 VanDerWaalsContact O-CD 3.32Å; Q229-P231 WeakPolarHBondContact O-CD 3.24Å
230	A	69.3	Low	64.2	Low	26 Å²	26	113.2 Å²	113.2	22%	0.215	58%	0.583	C	S	.	*			trans	-53.4	115.1	160.5	0	0	0	0	0	109.9	D227 L239	D227-A230 PolarHBondContact OD1-N 2.8Å; A230-L239 HydrophobicContact CB-CD2 3.87Å
231	P	80.3	Confident	66.4	Low	31 Å²	31	112.2 Å²	112.2	20%	0.201	57%	0.574	C	S	.	*	P	Polyproline II helix	trans	-69.7	136.5	-175.6	26.1	-32.5	0	0	0	111.4	Q229 L240 L245	Q229-P231 VanDerWaalsContact O-CD 3.32Å; Q229-P231 WeakPolarHBondContact O-CD 3.24Å; P231-L240 WeakPolarHBondContact CD-O 3.29Å; P231-L240 HydrophobicContact CG-CB 4.35Å; P231-L240 WeakPolarHBondContact O-CB 3.39Å; P231-L240 PolarHBondContact O-N 3.13Å; P231-L245 HydrophobicContact CB-CB 4.33Å; P231-L245 HydrophobicContact CB-CD1 4.25Å; P231-L245 HydrophobicContact CB-CD2 3.91Å; P231-L245 HydrophobicContact CB-CG 4.39Å; P231-L245 HydrophobicContact CG-CB 4.09Å; P231-L245 HydrophobicContact CG-CD2 4.44Å
232	V	87.6	Confident	68.3	Low	75 Å²	75	107.8 Å²	107.8	46%	0.455	57%	0.565	S	S	.	*	B	Isolated β-bridge	trans	-100.7	133.7	175.5	-178.8	0	0	0	0	109.3	P234 Q237 V238 L239	V232-P234 WeakPolarHBondContact O-CD 3.45Å; V232-Q237 HydrophobicContact CG1-CB 4.47Å; V232-V238 WeakPolarHBondContact CA-O 3.27Å; V232-L239 HydrophobicContact CG2-CD2 3.61Å; V232-L239 HydrophobicContact CG2-CG 4.01Å
233	C	86.3	Confident	70.1	Confident	1 Å²	1	101 Å²	101	1%	0.007	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-66	122.6	174.8	-178.8	0	0	0	0	111	I235 Q237 V238 L240 H248	C233-I235 PolarHBondContact O-N 3.09Å; C233-I235 PolarHBondContact SG-N 3.22Å; C233-I235 VanDerWaalsContact SG-N 3.45Å; C233-Q237 WeakPolarHBondContact O-CA 3.25Å; C233-Q237 PolarHBondContact O-N 2.88Å; C233-V238 PolarHBondContact N-O 2.94Å; C233-L240 HydrophobicContact CB-CD1 4.2Å; C233-H248 VanDerWaalsContact CB-NE2 3.35Å; C233-H248 WeakPolarHBondContact CB-NE2 3.31Å; C233-H248 PolarHBondContact SG-CD2 2.9Å; C233-H248 PolarHBondContact SG-NE2 3.41Å
234	P	82.9	Confident	72.5	Confident	110 Å²	110	97.5 Å²	97.5	71%	0.714	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-9.4	179.4	29.9	-35.4	0	0	0	113.7	V232	V232-P234 WeakPolarHBondContact O-CD 3.45Å
235	I	85.5	Confident	75	Confident	72 Å²	72	96.4 Å²	96.4	37%	0.369	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-49.2	-177.9	-60.8	168.7	0	0	0	111.1	C233 E252 L256	C233-I235 PolarHBondContact O-N 3.09Å; C233-I235 PolarHBondContact SG-N 3.22Å; C233-I235 VanDerWaalsContact SG-N 3.45Å; I235-E252 HydrophobicContact CB-CB 4.29Å; I235-E252 HydrophobicContact CB-CG 4.48Å; I235-E252 HydrophobicContact CD1-CB 3.73Å; I235-E252 HydrophobicContact CG2-CB 4.17Å; I235-E252 HydrophobicContact CG2-CG 4.43Å; I235-L256 HydrophobicContact CD1-CD1 4.08Å; I235-L256 HydrophobicContact CG2-CD1 3.99Å
236	C	86.9	Confident	77	Confident	49 Å²	49	93 Å²	93	33%	0.331	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	1.7	-176.1	66.4	0	0	0	0	114.8	V238 H248 E252	C236-V238 PolarHBondContact O-N 3.23Å; C236-V238 VanDerWaalsContact O-N 3.16Å; C236-H248 PolarHBondContact SG-NE2 3.19Å; C236-E252 WeakPolarHBondContact CB-OE1 3.37Å; C236-E252 PolarHBondContact SG-OE1 2.68Å
237	Q	83.8	Confident	79.4	Confident	161 Å²	161	90 Å²	90	75%	0.752	50%	0.497	S	S	*	.			trans	59.3	19.9	176.1	-62.1	-173	73.2	0	0	116.1	V232 C233	V232-Q237 HydrophobicContact CG1-CB 4.47Å; C233-Q237 WeakPolarHBondContact O-CA 3.25Å; C233-Q237 PolarHBondContact O-N 2.88Å
238	V	89.5	Confident	81.6	Confident	72 Å²	72	87.5 Å²	87.5	44%	0.436	48%	0.482	S	S	.	.			trans	-70.8	135.1	169.6	179.8	0	0	0	0	110.1	V232 C233 C236 L240	V232-V238 WeakPolarHBondContact CA-O 3.27Å; C233-V238 PolarHBondContact N-O 2.94Å; C236-V238 PolarHBondContact O-N 3.23Å; C236-V238 VanDerWaalsContact O-N 3.16Å; V238-L240 HydrophobicContact CB-CD2 4.26Å; V238-L240 HydrophobicContact CG1-CD2 3.88Å
239	L	87.6	Confident	83.6	Confident	125 Å²	125	84.2 Å²	84.2	65%	0.654	45%	0.453	S	S	*	.	B	Isolated β-bridge	trans	-73.5	119.7	166.5	-91.9	160.7	0	0	0	109.4	A230 V232	A230-L239 HydrophobicContact CB-CD2 3.87Å; V232-L239 HydrophobicContact CG2-CD2 3.61Å; V232-L239 HydrophobicContact CG2-CG 4.01Å
240	L	86.4	Confident	85	Confident	13 Å²	13	81.2 Å²	81.2	7%	0.068	44%	0.439	C	S	.	.			trans	-106	158	-177.7	-51	175	0	0	0	110.5	P231 C233 V238 E244 L245 H248	P231-L240 WeakPolarHBondContact CD-O 3.29Å; P231-L240 HydrophobicContact CG-CB 4.35Å; P231-L240 WeakPolarHBondContact O-CB 3.39Å; P231-L240 PolarHBondContact O-N 3.13Å; C233-L240 HydrophobicContact CB-CD1 4.2Å; V238-L240 HydrophobicContact CB-CD2 4.26Å; V238-L240 HydrophobicContact CG1-CD2 3.88Å; L240-E244 HydrophobicContact CB-CB 4.5Å; L240-L245 HydrophobicContact CD1-CB 4.37Å; L240-L245 HydrophobicContact CD1-CD1 3.82Å; L240-H248 HydrophobicContact CD1-CB 3.78Å; L240-H248 HydrophobicContact CD2-CB 4.13Å
241	R	84.4	Confident	86.1	Confident	181 Å²	181	83.9 Å²	83.9	68%	0.683	45%	0.452	S	S	*	.			trans	-78.5	150.7	172.3	-54.9	-177.8	175.9	-162.4	-3.7	110.6	G243 E244	R241-G243 PolarHBondContact O-N 3.4Å; R241-E244 HydrophobicContact CB-CG 4.21Å; R241-E244 VanDerWaalsContact CB-OE2 3.26Å; R241-E244 WeakPolarHBondContact CB-OE2 3.32Å; R241-E244 WeakPolarHBondContact CD-OE1 3.47Å; R241-E244 VanDerWaalsContact CG-OE2 3.27Å; R241-E244 WeakPolarHBondContact CG-OE2 3.17Å; R241-E244 PolarHBondContact N-OE2 2.92Å; R241-E244 PolarHBondContact O-N 2.98Å
242	P	74.9	Confident	86.7	Confident	100 Å²	100	83.7 Å²	83.7	65%	0.649	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	113.8	169.6	-26.1	35.6	0	0	0	111.1
243	G	78.9	Confident	86.9	Confident	72 Å²	72	84.6 Å²	84.6	74%	0.742	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.6	-36.2	-174.2	0	0	0	0	0	114	R241 L245	R241-G243 PolarHBondContact O-N 3.4Å; G243-L245 VanDerWaalsContact C-N 3.32Å; G243-L245 PolarHBondContact O-N 3.03Å
244	E	84.8	Confident	87.2	Confident	87 Å²	87	91.1 Å²	91.1	41%	0.407	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.2	-174.1	-65.9	168.1	176.9	0	0	113.4	L240 R241 Q246 H248	L240-E244 HydrophobicContact CB-CB 4.5Å; R241-E244 HydrophobicContact CB-CG 4.21Å; R241-E244 VanDerWaalsContact CB-OE2 3.26Å; R241-E244 WeakPolarHBondContact CB-OE2 3.32Å; R241-E244 WeakPolarHBondContact CD-OE1 3.47Å; R241-E244 VanDerWaalsContact CG-OE2 3.27Å; R241-E244 WeakPolarHBondContact CG-OE2 3.17Å; R241-E244 PolarHBondContact N-OE2 2.92Å; R241-E244 PolarHBondContact O-N 2.98Å; E244-Q246 VanDerWaalsContact C-N 3.34Å; E244-Q246 PolarHBondContact O-N 3.5Å; E244-H248 VanDerWaalsContact O-CB 3.25Å; E244-H248 WeakPolarHBondContact O-CB 3.36Å; E244-H248 PolarHBondContact O-N 2.83Å; E244-H248 VanDerWaalsContact O-N 3.1Å
245	L	84.8	Confident	87.5	Confident	68 Å²	68	93.2 Å²	93.2	36%	0.356	47%	0.474	S	S	.	.	H	α-helix	trans	-57.4	-40.8	-175.1	177.4	62.1	0	0	0	113.8	P231 L240 G243 M249	P231-L245 HydrophobicContact CB-CB 4.33Å; P231-L245 HydrophobicContact CB-CD1 4.25Å; P231-L245 HydrophobicContact CB-CD2 3.91Å; P231-L245 HydrophobicContact CB-CG 4.39Å; P231-L245 HydrophobicContact CG-CB 4.09Å; P231-L245 HydrophobicContact CG-CD2 4.44Å; L240-L245 HydrophobicContact CD1-CB 4.37Å; L240-L245 HydrophobicContact CD1-CD1 3.82Å; G243-L245 VanDerWaalsContact C-N 3.32Å; G243-L245 PolarHBondContact O-N 3.03Å; L245-M249 WeakPolarHBondContact O-CB 3.49Å; L245-M249 PolarHBondContact O-N 2.84Å
246	Q	86.9	Confident	87.5	Confident	105 Å²	105	93.6 Å²	93.6	49%	0.491	48%	0.477	S	S	.	.	H	α-helix	trans	-69.8	-54.1	-174.9	-174.6	65.3	24	0	0	111.4	E244 H248 M249 E250	E244-Q246 VanDerWaalsContact C-N 3.34Å; E244-Q246 PolarHBondContact O-N 3.5Å; Q246-H248 VanDerWaalsContact C-N 3.31Å; Q246-H248 PolarHBondContact O-N 3.28Å; Q246-M249 PolarHBondContact O-N 3.13Å; Q246-E250 PolarHBondContact NE2-OE1 3.37Å; Q246-E250 WeakPolarHBondContact O-CG 3.42Å; Q246-E250 PolarHBondContact O-N 3.41Å
247	E	91.9	Very high	87.5	Confident	144 Å²	144	93.5 Å²	93.5	67%	0.673	48%	0.479	S	S	*	.	H	α-helix	trans	-59.8	-40.9	179	-178	177.9	-171.1	0	0	111.7	E250 T251	E247-E250 PolarHBondContact O-N 2.86Å; E247-T251 WeakPolarHBondContact O-CB 3.4Å; E247-T251 PolarHBondContact O-N 3.05Å; E247-T251 PolarHBondContact O-OG1 3.37Å
248	H	92.1	Very high	87.4	Confident	40 Å²	40	89.1 Å²	89.1	19%	0.185	46%	0.464	C	S	.	.	H	α-helix	trans	-67.5	-40.7	176	-178	86.1	0	0	0	112.7	C233 C236 L240 E244 Q246 T251 E252	C233-H248 VanDerWaalsContact CB-NE2 3.35Å; C233-H248 WeakPolarHBondContact CB-NE2 3.31Å; C233-H248 PolarHBondContact SG-CD2 2.9Å; C233-H248 PolarHBondContact SG-NE2 3.41Å; C236-H248 PolarHBondContact SG-NE2 3.19Å; L240-H248 HydrophobicContact CD1-CB 3.78Å; L240-H248 HydrophobicContact CD2-CB 4.13Å; E244-H248 VanDerWaalsContact O-CB 3.25Å; E244-H248 WeakPolarHBondContact O-CB 3.36Å; E244-H248 PolarHBondContact O-N 2.83Å; E244-H248 VanDerWaalsContact O-N 3.1Å; Q246-H248 VanDerWaalsContact C-N 3.31Å; Q246-H248 PolarHBondContact O-N 3.28Å; H248-T251 PolarHBondContact O-N 2.86Å; H248-E252 PolarHBondContact O-N 2.82Å
249	M	88.8	Confident	86.9	Confident	65 Å²	65	89.5 Å²	89.5	32%	0.32	46%	0.463	S	S	.	.	H	α-helix	trans	-64.9	-41.9	175.8	-179	179.9	65.9	0	0	111.6	L245 Q246 E252 I253	L245-M249 WeakPolarHBondContact O-CB 3.49Å; L245-M249 PolarHBondContact O-N 2.84Å; Q246-M249 PolarHBondContact O-N 3.13Å; M249-E252 PolarHBondContact O-N 3.12Å; M249-I253 HydrophobicContact CG-CD1 3.87Å; M249-I253 WeakPolarHBondContact O-CB 3.44Å; M249-I253 VanDerWaalsContact O-CG1 3.24Å; M249-I253 WeakPolarHBondContact O-CG1 3.38Å; M249-I253 PolarHBondContact O-N 2.91Å
250	E	92.3	Very high	86.1	Confident	108 Å²	108	88 Å²	88	51%	0.505	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-43.8	174.9	-72.7	171.1	-172.7	0	0	111.2	Q246 E247 E252 I253 E254	Q246-E250 PolarHBondContact NE2-OE1 3.37Å; Q246-E250 WeakPolarHBondContact O-CG 3.42Å; Q246-E250 PolarHBondContact O-N 3.41Å; E247-E250 PolarHBondContact O-N 2.86Å; E250-E252 PolarHBondContact O-N 3.11Å; E250-I253 PolarHBondContact O-N 3.18Å; E250-E254 PolarHBondContact O-N 3.37Å
251	T	91.7	Very high	85.3	Confident	82 Å²	82	93.7 Å²	93.7	50%	0.503	49%	0.491	S	S	.	.	H	α-helix	trans	-59.9	-45.4	175	-57.3	0	0	0	0	112.4	E247 H248 E254 R255	E247-T251 WeakPolarHBondContact O-CB 3.4Å; E247-T251 PolarHBondContact O-N 3.05Å; E247-T251 PolarHBondContact O-OG1 3.37Å; H248-T251 PolarHBondContact O-N 2.86Å; T251-E254 PolarHBondContact O-N 3.42Å; T251-R255 WeakPolarHBondContact O-CB 3.31Å; T251-R255 PolarHBondContact O-N 3.17Å
252	E	93.2	Very high	84.3	Confident	28 Å²	28	90 Å²	90	13%	0.131	49%	0.493	C	S	.	.	H	α-helix	trans	-68.9	-32.5	176.8	-74.1	-68.5	175	0	0	112.4	I235 C236 H248 M249 E250 R255 L256	I235-E252 HydrophobicContact CB-CB 4.29Å; I235-E252 HydrophobicContact CB-CG 4.48Å; I235-E252 HydrophobicContact CD1-CB 3.73Å; I235-E252 HydrophobicContact CG2-CB 4.17Å; I235-E252 HydrophobicContact CG2-CG 4.43Å; C236-E252 WeakPolarHBondContact CB-OE1 3.37Å; C236-E252 PolarHBondContact SG-OE1 2.68Å; H248-E252 PolarHBondContact O-N 2.82Å; M249-E252 PolarHBondContact O-N 3.12Å; E250-E252 PolarHBondContact O-N 3.11Å; E252-R255 PolarHBondContact O-N 3.22Å; E252-R255 VanDerWaalsContact OE2-CD 3.28Å; E252-R255 WeakPolarHBondContact OE2-CD 3.29Å; E252-L256 WeakPolarHBondContact O-CB 3.43Å; E252-L256 VanDerWaalsContact O-CG 3.27Å; E252-L256 WeakPolarHBondContact O-CG 3.44Å; E252-L256 PolarHBondContact O-N 3.41Å
253	I	90.7	Very high	83.1	Confident	93 Å²	93	92.6 Å²	92.6	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-66.7	-42.9	173.1	-72	166.1	0	0	0	111	M249 E250 L256 A257	M249-I253 HydrophobicContact CG-CD1 3.87Å; M249-I253 WeakPolarHBondContact O-CB 3.44Å; M249-I253 VanDerWaalsContact O-CG1 3.24Å; M249-I253 WeakPolarHBondContact O-CG1 3.38Å; M249-I253 PolarHBondContact O-N 2.91Å; E250-I253 PolarHBondContact O-N 3.18Å; I253-L256 PolarHBondContact O-N 3.46Å; I253-A257 WeakPolarHBondContact O-CB 3.2Å; I253-A257 PolarHBondContact O-N 3.16Å
254	E	92.4	Very high	81.4	Confident	138 Å²	138	95.9 Å²	95.9	65%	0.645	50%	0.495	S	S	*	.	H	α-helix	trans	-66.9	-38.3	175.6	-173.5	169.9	-140.7	0	0	112	E250 T251 L256 A257 T258	E250-E254 PolarHBondContact O-N 3.37Å; T251-E254 PolarHBondContact O-N 3.42Å; E254-L256 VanDerWaalsContact C-N 3.35Å; E254-L256 PolarHBondContact O-N 3.28Å; E254-A257 PolarHBondContact O-N 3.4Å; E254-T258 WeakPolarHBondContact O-CG2 3.3Å; E254-T258 PolarHBondContact O-N 2.88Å; E254-T258 PolarHBondContact O-OG1 2.8Å
255	R	90.3	Very high	79.4	Confident	154 Å²	154	97.5 Å²	97.5	58%	0.581	51%	0.512	S	S	*	.	H	α-helix	trans	-59.6	-42.3	171.2	-171.4	-171.2	-178.4	84.6	0.4	112	T251 E252 T258 I259	T251-R255 WeakPolarHBondContact O-CB 3.31Å; T251-R255 PolarHBondContact O-N 3.17Å; E252-R255 PolarHBondContact O-N 3.22Å; E252-R255 VanDerWaalsContact OE2-CD 3.28Å; E252-R255 WeakPolarHBondContact OE2-CD 3.29Å; R255-T258 WeakPolarHBondContact CA-OG1 3.37Å; R255-T258 PolarHBondContact O-OG1 2.88Å; R255-I259 HydrophobicContact CG-CD1 4.28Å; R255-I259 WeakPolarHBondContact O-CD1 3.41Å; R255-I259 WeakPolarHBondContact O-CG1 3.28Å; R255-I259 PolarHBondContact O-N 2.83Å
256	L	85.3	Confident	77.1	Confident	81 Å²	81	99.5 Å²	99.5	42%	0.424	53%	0.532	S	S	.	.	H	α-helix	trans	-69.8	-40	175	-72.7	172	0	0	0	112	I235 E252 I253 E254 I259 C260	I235-L256 HydrophobicContact CD1-CD1 4.08Å; I235-L256 HydrophobicContact CG2-CD1 3.99Å; E252-L256 WeakPolarHBondContact O-CB 3.43Å; E252-L256 VanDerWaalsContact O-CG 3.27Å; E252-L256 WeakPolarHBondContact O-CG 3.44Å; E252-L256 PolarHBondContact O-N 3.41Å; I253-L256 PolarHBondContact O-N 3.46Å; E254-L256 VanDerWaalsContact C-N 3.35Å; E254-L256 PolarHBondContact O-N 3.28Å; L256-I259 PolarHBondContact O-N 3.2Å; L256-C260 PolarHBondContact O-N 3.41Å; L256-C260 PolarHBondContact O-SG 3.45Å
257	A	86.9	Confident	74.7	Confident	46 Å²	46	100.1 Å²	100.1	38%	0.38	55%	0.548	S	S	.	.	H	α-helix	trans	-62.2	-45.5	177.7	0	0	0	0	0	111.9	I253 E254 C260 L261	I253-A257 WeakPolarHBondContact O-CB 3.2Å; I253-A257 PolarHBondContact O-N 3.16Å; E254-A257 PolarHBondContact O-N 3.4Å; A257-C260 WeakPolarHBondContact O-CB 3.34Å; A257-C260 PolarHBondContact O-N 2.71Å; A257-L261 WeakPolarHBondContact O-CG 3.32Å; A257-L261 PolarHBondContact O-N 3.28Å
258	T	81.2	Confident	71.9	Confident	70 Å²	70	101.7 Å²	101.7	43%	0.429	55%	0.553	S	S	.	*	H	α-helix	trans	-61.9	-44.1	174.8	47.5	0	0	0	0	111.7	E254 R255 C260 L261 S262	E254-T258 WeakPolarHBondContact O-CG2 3.3Å; E254-T258 PolarHBondContact O-N 2.88Å; E254-T258 PolarHBondContact O-OG1 2.8Å; R255-T258 WeakPolarHBondContact CA-OG1 3.37Å; R255-T258 PolarHBondContact O-OG1 2.88Å; T258-C260 VanDerWaalsContact C-N 3.27Å; T258-C260 PolarHBondContact O-N 2.89Å; T258-L261 PolarHBondContact O-N 2.93Å; T258-L261 VanDerWaalsContact O-N 3.13Å; T258-S262 PolarHBondContact O-N 2.71Å; T258-S262 PolarHBondContact O-OG 3.44Å; T258-S262 VanDerWaalsContact O-OG 3.12Å
259	I	79.1	Confident	69.1	Low	80 Å²	80	106 Å²	106	41%	0.41	58%	0.577	S	S	.	*	H	α-helix	trans	-60.6	-33.6	173.9	-70.1	166.7	0	0	0	112.6	R255 L256	R255-I259 HydrophobicContact CG-CD1 4.28Å; R255-I259 WeakPolarHBondContact O-CD1 3.41Å; R255-I259 WeakPolarHBondContact O-CG1 3.28Å; R255-I259 PolarHBondContact O-N 2.83Å; L256-I259 PolarHBondContact O-N 3.2Å
260	C	70.5	Confident	66.3	Low	93 Å²	93	106.4 Å²	106.4	63%	0.628	60%	0.598	S	S	*	*	H	α-helix	trans	-72.3	-37	173.8	-77	0	0	0	0	112.9	L256 A257 T258	L256-C260 PolarHBondContact O-N 3.41Å; L256-C260 PolarHBondContact O-SG 3.45Å; A257-C260 WeakPolarHBondContact O-CB 3.34Å; A257-C260 PolarHBondContact O-N 2.71Å; T258-C260 VanDerWaalsContact C-N 3.27Å; T258-C260 PolarHBondContact O-N 2.89Å
261	L	70.3	Confident	63.4	Low	133 Å²	133	108.5 Å²	108.5	70%	0.696	62%	0.618	S	S	*	*	H	α-helix	trans	-73	-39.3	178.7	-70.1	167.2	0	0	0	112.4	A257 T258 K263	A257-L261 WeakPolarHBondContact O-CG 3.32Å; A257-L261 PolarHBondContact O-N 3.28Å; T258-L261 PolarHBondContact O-N 2.93Å; T258-L261 VanDerWaalsContact O-N 3.13Å; L261-K263 PolarHBondContact O-N 3.08Å
262	S	64.6	Low	60.5	Low	102 Å²	102	109.2 Å²	109.2	71%	0.713	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-0.6	179	-58.8	0	0	0	0	115	T258	T258-S262 PolarHBondContact O-N 2.71Å; T258-S262 PolarHBondContact O-OG 3.44Å; T258-S262 VanDerWaalsContact O-OG 3.12Å
263	K	48.3	Very low	57.5	Low	155 Å²	155	114.4 Å²	114.4	67%	0.674	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	10.5	-175.3	-104.8	165.8	-179.3	162.3	0	115.8	L261 P265	L261-K263 PolarHBondContact O-N 3.08Å; K263-P265 VanDerWaalsContact O-CD 3.29Å; K263-P265 WeakPolarHBondContact O-CD 3.28Å
264	N	42.6	Very low	55	Low	142 Å²	142	116.2 Å²	116.2	76%	0.759	68%	0.684	S	S	*	*			trans	-112.4	86.2	174.3	-70.8	-31.1	0	0	0	113
265	P	43.7	Very low	52	Low	120 Å²	120	113.3 Å²	113.3	78%	0.779	69%	0.691	S	S	*	*			trans	-98.5	108.9	167.4	34.2	-28.3	0	0	0	111.4	K263	K263-P265 VanDerWaalsContact O-CD 3.29Å; K263-P265 WeakPolarHBondContact O-CD 3.28Å
266	S	36	Very low	49.4	Very low	111 Å²	111	111.4 Å²	111.4	78%	0.776	70%	0.697	S	S	*	*			trans	-151.9	74.2	176.7	67.4	0	0	0	0	115.5
267	S	36.3	Very low	47.2	Very low	118 Å²	118	113.4 Å²	113.4	83%	0.825	71%	0.714	S	S	*	*			trans	-174.8	115.7	143.5	56.1	0	0	0	0	114.1
268	K	34.5	Very low	44.7	Very low	176 Å²	176	119.9 Å²	119.9	77%	0.765	73%	0.734	S	S	*	*			trans	42.6	131.3	140.3	-84.7	-177.7	150.8	-103.4	0	123.6
269	D	33.3	Very low	42.1	Very low	131 Å²	131	122 Å²	122	70%	0.701	75%	0.751	S	S	*	*			trans	63.9	124.1	131.8	-50	-18.1	0	0	0	121.7
270	G	29.7	Very low	39.9	Very low	73 Å²	73	125.4 Å²	125.4	75%	0.753	77%	0.767	S	S	*	*			trans	122.4	80.9	140	0	0	0	0	0	119.7
271	V	31.2	Very low	38	Very low	152 Å²	152	129.4 Å²	129.4	92%	0.921	78%	0.782	S	S	*	*			trans	41.9	103.6	144.2	-171.4	0	0	0	0	119.1
272	A	29.6	Very low	36	Very low	98 Å²	98	130.7 Å²	130.7	81%	0.81	79%	0.788	S	S	*	*				-176.7	137.3	128	0	0	0	0	0	113.7
273	T	30.8	Very low	34.3	Very low	137 Å²	137	131.1 Å²	131.1	84%	0.84	79%	0.791	S	S	*	*			trans	-133.9	159.3	162	50.9	0	0	0	0	108.4
274	P	39.4	Very low	33.4	Very low	131 Å²	131	130.6 Å²	130.6	85%	0.851	80%	0.801	S	S	*	*			cis	-127.3	173.9	-4	39.9	-25.4	0	0	0	113.8
275	G	29	Very low	32.8	Very low	77 Å²	77	132 Å²	132	79%	0.794	80%	0.803	S	S	*	*			trans	-178.4	100.3	167.9	0	0	0	0	0	114.8
276	T	35.5	Very low	32.3	Very low	114 Å²	114	133.6 Å²	133.6	70%	0.699	80%	0.803	S	S	*	*			trans	-116.2	142.9	172.2	63.4	0	0	0	0	110.9
277	P	39.2	Very low	32.1	Very low	122 Å²	122	137.9 Å²	137.9	79%	0.792	81%	0.807	S	S	*	*				-131.8	125.9	109.4	33.4	-23.2	0	0	0	111.3
278	K	33.3	Very low	31.9	Very low	183 Å²	183	142.4 Å²	142.4	80%	0.796	81%	0.806	S	S	*	*				67.5	104	78.9	-74.7	-164.8	179.7	70.4	0	114.7
279	S	28.1	Very low	31.7	Very low	113 Å²	113	142.1 Å²	142.1	79%	0.79	81%	0.808	S	S	*	*			trans	-142.5	107.4	140.1	-165	0	0	0	0	111
280	M	31.5	Very low	31.7	Very low	153 Å²	153	138.9 Å²	138.9	75%	0.754	81%	0.806	S	S	*	*			trans	58.3	89.3	132.2	-56.6	-67.9	-83.8	0	0	120.3
281	L	30.4	Very low	31.6	Very low	177 Å²	177	145.3 Å²	145.3	93%	0.927	82%	0.816	S	S	*	*			trans	-121.1	137.1	140.5	-80.5	177.3	0	0	0	109.2
282	L	28	Very low	31.6	Very low	159 Å²	159	143.5 Å²	143.5	83%	0.832	81%	0.81	S	S	*	*			trans	-99.3	120.5	175.7	-83.4	161.6	0	0	0	109.8
283	S	29.1	Very low	32.6	Very low	111 Å²	111	144 Å²	144	78%	0.776	81%	0.805	S	S	*	*			trans	-137.4	131.3	165.9	-67.6	0	0	0	0	108.9
284	V	30.8	Very low	32.5	Very low	145 Å²	145	144.5 Å²	144.5	88%	0.879	81%	0.807	S	S	*	*			trans	-90	141.8	-173.5	177.6	0	0	0	0	110.7
285	H	28.6	Very low	32.3	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.796	80%	0.804	S	S	*	*			trans	-70.9	168.2	175.5	-61.3	-62.1	0	0	0	111.2
286	I	33.3	Very low	32.3	Very low	152 Å²	152	146.1 Å²	146.1	78%	0.779	80%	0.804	S	S	*	*				-167.7	140.3	65.5	-81	-179.3	0	0	0	111.3
287	K	33	Very low	32.7	Very low	201 Å²	201	146.3 Å²	146.3	87%	0.874	81%	0.807	S	S	*	*			trans	34.2	146.9	155.2	-71.5	-173.4	169.8	-173	0	123.8
288	R	31.4	Very low	32.5	Very low	213 Å²	213	149.1 Å²	149.1	80%	0.804	82%	0.815	S	S	*	*			trans	-73.9	150.4	156.6	-57	170.5	171.2	170.2	-6.5	110.8
289	E	30.6	Very low	32.8	Very low	171 Å²	171	144.5 Å²	144.5	80%	0.799	81%	0.805	S	S	*	*				-159.8	178.5	78.6	-58.5	-48.6	155.2	0	0	106.4
290	G	33	Very low	33.7	Very low	63 Å²	63	143.8 Å²	143.8	65%	0.649	80%	0.8	S	S	*	*			cis	179.6	171.8	-0.3	0	0	0	0	0	110.8
291	E	27.6	Very low	34.4	Very low	207 Å²	207	143.5 Å²	143.5	97%	0.967	80%	0.797	S	S	*	*			trans	58	173.4	176.8	-62.3	-170.3	123.2	0	0	117.8
292	S	30.7	Very low	35.2	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	79%	0.786	S	S	*	*			trans	-168.4	166.7	-162.5	-164.3	0	0	0	0	108.8
293	P	50.8	Low	36.5	Very low	108 Å²	108	137.1 Å²	137.1	70%	0.701	78%	0.775	S	S	*	*			cis	-130.9	162.1	2.2	40.8	-25.5	0	0	0	116.2
294	V	30.3	Very low	37.8	Very low	148 Å²	148	138 Å²	138	90%	0.897	77%	0.767	S	S	*	*			trans	-139	143.3	151.6	-177.5	0	0	0	0	109.3
295	V	33.9	Very low	38.7	Very low	128 Å²	128	137 Å²	137	78%	0.776	75%	0.752	S	S	*	*			trans	-86.5	133.1	-168.1	175.7	0	0	0	0	113.5
296	S	30	Very low	40.5	Very low	115 Å²	115	132.1 Å²	132.1	80%	0.804	74%	0.737	S	S	*	*			trans	-161.4	144.6	140.6	-82.1	0	0	0	0	110.8
297	P	44	Very low	42.4	Very low	118 Å²	118	129.5 Å²	129.5	77%	0.766	73%	0.725	S	S	*	*			trans	-95.8	142.6	-167.3	35.8	-34.4	0	0	0	114.2
298	L	35.2	Very low	44.4	Very low	180 Å²	180	129.2 Å²	129.2	94%	0.942	72%	0.718	S	S	*	*			trans	-134	145	162.8	-74.6	177.8	0	0	0	111.1
299	S	37.8	Very low	46.8	Very low	86 Å²	86	125.3 Å²	125.3	60%	0.601	71%	0.705	S	S	*	*			trans	-46.5	145.9	-161.5	-169.4	0	0	0	0	118.9	E301	S299-E301 VanDerWaalsContact C-N 3.3Å; S299-E301 WeakPolarHBondContact OG-CB 3.49Å; S299-E301 PolarHBondContact OG-N 3.34Å; S299-E301 VanDerWaalsContact OG-N 3.13Å; S299-E301 PolarHBondContact OG-OE2 2.99Å
300	S	48.4	Very low	49.4	Very low	98 Å²	98	122.3 Å²	122.3	69%	0.685	69%	0.69	S	S	*	*	S	Bend	trans	-83.7	3.8	169.9	-172.8	0	0	0	0	114
301	E	46.2	Very low	51.8	Low	147 Å²	147	122.1 Å²	122.1	69%	0.687	68%	0.677	S	S	*	*	H	α-helix	trans	-87	-26.2	-160.1	-162.5	169.2	167.1	0	0	114.2	S299 A303 H304 H305	S299-E301 VanDerWaalsContact C-N 3.3Å; S299-E301 WeakPolarHBondContact OG-CB 3.49Å; S299-E301 PolarHBondContact OG-N 3.34Å; S299-E301 VanDerWaalsContact OG-N 3.13Å; S299-E301 PolarHBondContact OG-OE2 2.99Å; E301-A303 PolarHBondContact O-N 3.3Å; E301-H304 PolarHBondContact O-N 2.8Å; E301-H305 PolarHBondContact O-N 2.95Å
302	D	47.4	Very low	54.7	Low	129 Å²	129	117.2 Å²	117.2	69%	0.69	65%	0.652	S	S	*	*	H	α-helix	trans	-65.9	-37.4	-176.4	-168.1	42.8	0	0	0	113.1	H304 H305 S306	D302-H304 VanDerWaalsContact C-N 3.35Å; D302-H304 PolarHBondContact O-N 3.05Å; D302-H305 PolarHBondContact O-N 3.29Å; D302-S306 PolarHBondContact O-N 3.47Å
303	A	53.8	Low	57.5	Low	73 Å²	73	115 Å²	115	60%	0.603	63%	0.631	S	S	*	*	H	α-helix	trans	-61.3	-41.6	176.2	0	0	0	0	0	112.3	E301 D307	E301-A303 PolarHBondContact O-N 3.3Å; A303-D307 PolarHBondContact O-N 3.21Å
304	H	56.3	Low	59.3	Low	131 Å²	131	117.6 Å²	117.6	61%	0.606	63%	0.627	S	S	*	*	H	α-helix	trans	-73.7	-31.1	176.7	-69.3	-67.4	0	0	0	112.6	E301 D302 R308	E301-H304 PolarHBondContact O-N 2.8Å; D302-H304 VanDerWaalsContact C-N 3.35Å; D302-H304 PolarHBondContact O-N 3.05Å; H304-R308 VanDerWaalsContact O-CB 3.3Å; H304-R308 WeakPolarHBondContact O-CB 3.5Å; H304-R308 PolarHBondContact O-N 2.88Å
305	H	51.5	Low	62.3	Low	124 Å²	124	114.8 Å²	114.8	57%	0.574	61%	0.61	S	S	*	*	H	α-helix	trans	-66.1	-40.1	174	-164.7	-103.1	0	0	0	111.6	E301 D302 Y309	E301-H305 PolarHBondContact O-N 2.95Å; D302-H305 PolarHBondContact O-N 3.29Å; H305-Y309 WeakPolarHBondContact O-CB 3.46Å; H305-Y309 PolarHBondContact O-N 3.42Å
306	S	65.2	Low	64.9	Low	68 Å²	68	116.3 Å²	116.3	48%	0.476	60%	0.602	S	S	.	*	H	α-helix	trans	-60.6	-48.4	174.2	-171.8	0	0	0	0	112.8	D302 Y309 Q310	D302-S306 PolarHBondContact O-N 3.47Å; S306-Y309 PolarHBondContact O-N 3.35Å; S306-Q310 WeakPolarHBondContact O-CG 3.44Å; S306-Q310 PolarHBondContact O-N 2.9Å
307	D	72.6	Confident	67.4	Low	97 Å²	97	113.5 Å²	113.5	52%	0.519	59%	0.585	S	S	.	*	H	α-helix	trans	-68.3	-39.1	179.3	-176.3	54.5	0	0	0	112.9	A303 Y309 Q310 T311	A303-D307 PolarHBondContact O-N 3.21Å; D307-Y309 VanDerWaalsContact C-N 3.29Å; D307-Y309 PolarHBondContact O-N 3.43Å; D307-Q310 PolarHBondContact O-N 3.44Å; D307-T311 WeakPolarHBondContact O-CB 3.43Å; D307-T311 PolarHBondContact O-N 2.8Å; D307-T311 PolarHBondContact O-OG1 2.95Å
308	R	76.2	Confident	69.4	Low	195 Å²	195	112.5 Å²	112.5	74%	0.736	57%	0.574	S	S	*	*	H	α-helix	trans	-59.9	-39.8	171.3	-175.4	179.4	-70.8	-176.5	-1.3	111.4	H304 T311 F312	H304-R308 VanDerWaalsContact O-CB 3.3Å; H304-R308 WeakPolarHBondContact O-CB 3.5Å; H304-R308 PolarHBondContact O-N 2.88Å; R308-T311 PolarHBondContact O-N 3.13Å; R308-F312 PolarHBondContact O-N 2.98Å
309	Y	82.3	Confident	71.8	Confident	132 Å²	132	112.4 Å²	112.4	52%	0.518	56%	0.561	S	S	.	*	H	α-helix	trans	-70	-41.2	177.2	-174.9	-116.4	0	0	0	112.6	H305 S306 D307 T311 F312 L313	H305-Y309 WeakPolarHBondContact O-CB 3.46Å; H305-Y309 PolarHBondContact O-N 3.42Å; S306-Y309 PolarHBondContact O-N 3.35Å; D307-Y309 VanDerWaalsContact C-N 3.29Å; D307-Y309 PolarHBondContact O-N 3.43Å; Y309-T311 VanDerWaalsContact C-N 3.31Å; Y309-T311 PolarHBondContact O-N 2.81Å; Y309-F312 HydrophobicContact CD2-CD1 4.19Å; Y309-F312 HydrophobicContact CE2-CD1 4.18Å; Y309-F312 WeakPolarHBondContact O-CB 3.28Å; Y309-F312 PolarHBondContact O-N 3.49Å; Y309-L313 HydrophobicContact CD1-CD1 4.08Å; Y309-L313 HydrophobicContact CE1-CD1 3.7Å; Y309-L313 HydrophobicContact CE1-CG 4.26Å; Y309-L313 HydrophobicContact CE2-CD2 4.45Å; Y309-L313 HydrophobicContact CE2-CG 4.44Å; Y309-L313 WeakPolarHBondContact O-CG 3.33Å; Y309-L313 PolarHBondContact O-N 3.13Å
310	Q	83.3	Confident	73.9	Confident	107 Å²	107	112.9 Å²	112.9	50%	0.5	55%	0.553	S	S	.	*	H	α-helix	trans	-59.6	-41.9	171.7	-72.9	-73.3	9.7	0	0	111.9	S306 D307 L313 R314	S306-Q310 WeakPolarHBondContact O-CG 3.44Å; S306-Q310 PolarHBondContact O-N 2.9Å; D307-Q310 PolarHBondContact O-N 3.44Å; Q310-L313 PolarHBondContact O-N 3.32Å; Q310-R314 WeakPolarHBondContact O-CB 3.45Å; Q310-R314 PolarHBondContact O-N 2.93Å
311	T	83.8	Confident	75.2	Confident	59 Å²	59	112.3 Å²	112.3	36%	0.362	55%	0.546	S	S	.	.	H	α-helix	trans	-63.8	-44.7	175	-64	0	0	0	0	111.4	D307 R308 Y309 L313 R314 V315	D307-T311 WeakPolarHBondContact O-CB 3.43Å; D307-T311 PolarHBondContact O-N 2.8Å; D307-T311 PolarHBondContact O-OG1 2.95Å; R308-T311 PolarHBondContact O-N 3.13Å; Y309-T311 VanDerWaalsContact C-N 3.31Å; Y309-T311 PolarHBondContact O-N 2.81Å; T311-L313 PolarHBondContact O-N 3.32Å; T311-R314 PolarHBondContact O-N 2.65Å; T311-V315 HydrophobicContact CG2-CG2 4.45Å; T311-V315 WeakPolarHBondContact O-CG2 3.39Å; T311-V315 PolarHBondContact O-N 3.27Å
312	F	88.9	Confident	76.7	Confident	105 Å²	105	113.2 Å²	113.2	46%	0.461	54%	0.543	S	S	.	.	H	α-helix	trans	-58.2	-44.5	173.1	168.6	-102.1	0	0	0	112.6	R308 Y309 R314 V315 R316	R308-F312 PolarHBondContact O-N 2.98Å; Y309-F312 HydrophobicContact CD2-CD1 4.19Å; Y309-F312 HydrophobicContact CE2-CD1 4.18Å; Y309-F312 WeakPolarHBondContact O-CB 3.28Å; Y309-F312 PolarHBondContact O-N 3.49Å; F312-R314 PolarHBondContact O-N 3.22Å; F312-V315 PolarHBondContact O-N 2.97Å; F312-R316 VanDerWaalsContact O-CB 3.25Å; F312-R316 WeakPolarHBondContact O-CB 3.2Å; F312-R316 PolarHBondContact O-N 2.87Å
313	L	89.3	Confident	77.9	Confident	68 Å²	68	110 Å²	110	36%	0.356	53%	0.526	S	S	.	.	H	α-helix	trans	-62.6	-41.5	176.2	-69.8	177.1	0	0	0	111.8	Y309 Q310 T311 R316 A317	Y309-L313 HydrophobicContact CD1-CD1 4.08Å; Y309-L313 HydrophobicContact CE1-CD1 3.7Å; Y309-L313 HydrophobicContact CE1-CG 4.26Å; Y309-L313 HydrophobicContact CE2-CD2 4.45Å; Y309-L313 HydrophobicContact CE2-CG 4.44Å; Y309-L313 WeakPolarHBondContact O-CG 3.33Å; Y309-L313 PolarHBondContact O-N 3.13Å; Q310-L313 PolarHBondContact O-N 3.32Å; T311-L313 PolarHBondContact O-N 3.32Å; L313-R316 PolarHBondContact O-N 2.86Å; L313-A317 WeakPolarHBondContact O-CB 3.31Å; L313-A317 PolarHBondContact O-N 2.87Å
314	R	89.6	Confident	78.7	Confident	162 Å²	162	110.7 Å²	110.7	61%	0.611	52%	0.519	S	S	*	.	H	α-helix	trans	-63.8	-45.2	176.4	-163.9	-174.4	-57.1	165.3	7.1	111.9	Q310 T311 F312 A317 N318	Q310-R314 WeakPolarHBondContact O-CB 3.45Å; Q310-R314 PolarHBondContact O-N 2.93Å; T311-R314 PolarHBondContact O-N 2.65Å; F312-R314 PolarHBondContact O-N 3.22Å; R314-A317 PolarHBondContact O-N 3.24Å; R314-N318 PolarHBondContact O-N 3.38Å
315	V	92.1	Very high	79.2	Confident	89 Å²	89	107.4 Å²	107.4	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-64.8	-42.8	175.8	170.9	0	0	0	0	111	T311 F312 A317 N318 R319	T311-V315 HydrophobicContact CG2-CG2 4.45Å; T311-V315 WeakPolarHBondContact O-CG2 3.39Å; T311-V315 PolarHBondContact O-N 3.27Å; F312-V315 PolarHBondContact O-N 2.97Å; V315-A317 PolarHBondContact O-N 2.83Å; V315-N318 PolarHBondContact O-N 3.38Å; V315-R319 WeakPolarHBondContact O-CB 3.44Å; V315-R319 PolarHBondContact O-N 2.89Å
316	R	89	Confident	79.8	Confident	160 Å²	160	108.3 Å²	108.3	60%	0.604	51%	0.513	S	S	*	.	H	α-helix	trans	-61.5	-43.7	175.8	-177.3	174.8	177.8	165	-0.5	111.6	F312 L313 R319 Q320	F312-R316 VanDerWaalsContact O-CB 3.25Å; F312-R316 WeakPolarHBondContact O-CB 3.2Å; F312-R316 PolarHBondContact O-N 2.87Å; L313-R316 PolarHBondContact O-N 2.86Å; R316-R319 PolarHBondContact O-N 2.84Å; R316-Q320 WeakPolarHBondContact O-CB 3.26Å; R316-Q320 PolarHBondContact O-N 3.44Å
317	A	83.1	Confident	79.7	Confident	55 Å²	55	108.6 Å²	108.6	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-49.2	174.7	0	0	0	0	0	111.5	L313 R314 V315 R319 Q320 T321	L313-A317 WeakPolarHBondContact O-CB 3.31Å; L313-A317 PolarHBondContact O-N 2.87Å; R314-A317 PolarHBondContact O-N 3.24Å; V315-A317 PolarHBondContact O-N 2.83Å; A317-R319 VanDerWaalsContact C-N 3.35Å; A317-R319 PolarHBondContact O-N 3.03Å; A317-Q320 WeakPolarHBondContact O-CB 3.2Å; A317-Q320 PolarHBondContact O-N 2.98Å; A317-Q320 VanDerWaalsContact O-N 3.12Å; A317-T321 PolarHBondContact O-N 3.32Å; A317-T321 PolarHBondContact O-OG1 2.89Å
318	N	85.8	Confident	78.8	Confident	97 Å²	97	106.4 Å²	106.4	52%	0.519	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-39	177.5	-108.3	-36.3	0	0	0	112.9	R314 V315 Q320 T321 R322	R314-N318 PolarHBondContact O-N 3.38Å; V315-N318 PolarHBondContact O-N 3.38Å; N318-Q320 VanDerWaalsContact C-N 3.34Å; N318-T321 PolarHBondContact O-N 3.19Å; N318-R322 WeakPolarHBondContact O-CG 3.38Å; N318-R322 PolarHBondContact O-N 2.78Å
319	R	85.6	Confident	77.6	Confident	178 Å²	178	106 Å²	106	67%	0.672	51%	0.512	S	S	*	.	H	α-helix	trans	-62.8	-41.2	173.6	-161.5	178.8	-158.2	-117.6	8.2	111.1	V315 R316 A317 R322 L323	V315-R319 WeakPolarHBondContact O-CB 3.44Å; V315-R319 PolarHBondContact O-N 2.89Å; R316-R319 PolarHBondContact O-N 2.84Å; A317-R319 VanDerWaalsContact C-N 3.35Å; A317-R319 PolarHBondContact O-N 3.03Å; R319-R322 PolarHBondContact O-N 3.09Å; R319-L323 HydrophobicContact CG-CD1 4.49Å; R319-L323 WeakPolarHBondContact O-CB 3.34Å; R319-L323 VanDerWaalsContact O-CG 3.29Å; R319-L323 WeakPolarHBondContact O-CG 3.35Å; R319-L323 PolarHBondContact O-N 2.95Å
320	Q	81.6	Confident	76	Confident	96 Å²	96	106.1 Å²	106.1	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-41	174.6	-167	63.5	53	0	0	111.7	R316 A317 N318 L323 N324	R316-Q320 WeakPolarHBondContact O-CB 3.26Å; R316-Q320 PolarHBondContact O-N 3.44Å; A317-Q320 WeakPolarHBondContact O-CB 3.2Å; A317-Q320 PolarHBondContact O-N 2.98Å; A317-Q320 VanDerWaalsContact O-N 3.12Å; N318-Q320 VanDerWaalsContact C-N 3.34Å; Q320-L323 PolarHBondContact O-N 2.9Å; Q320-N324 PolarHBondContact NE2-OD1 2.73Å; Q320-N324 VanDerWaalsContact O-CB 3.3Å; Q320-N324 WeakPolarHBondContact O-CB 3.45Å; Q320-N324 PolarHBondContact O-N 3.03Å; Q320-N324 PolarHBondContact O-OD1 3.02Å
321	T	75.9	Confident	74.2	Confident	87 Å²	87	109 Å²	109	53%	0.534	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-45.2	174.1	-56.7	0	0	0	0	111.5	A317 N318 L323 N324 A325	A317-T321 PolarHBondContact O-N 3.32Å; A317-T321 PolarHBondContact O-OG1 2.89Å; N318-T321 PolarHBondContact O-N 3.19Å; T321-L323 VanDerWaalsContact C-N 3.28Å; T321-L323 PolarHBondContact O-N 2.76Å; T321-N324 PolarHBondContact O-N 2.72Å; T321-A325 VanDerWaalsContact O-CB 3.28Å; T321-A325 WeakPolarHBondContact O-CB 3.02Å; T321-A325 PolarHBondContact O-N 3.28Å
322	R	76.9	Confident	72.7	Confident	165 Å²	165	116.7 Å²	116.7	62%	0.623	55%	0.552	S	S	*	*	H	α-helix	trans	-66.4	-24.8	175.6	-71.4	179.6	71.7	-150.6	6	113.9	N318 R319 R326	N318-R322 WeakPolarHBondContact O-CG 3.38Å; N318-R322 PolarHBondContact O-N 2.78Å; R319-R322 PolarHBondContact O-N 3.09Å; R322-R326 PolarHBondContact O-NE 2.85Å; R322-R326 VanDerWaalsContact O-NE 3.11Å
323	L	72.1	Confident	70.7	Confident	62 Å²	62	122.2 Å²	122.2	33%	0.325	57%	0.57	S	S	.	*	H	α-helix	trans	-78.4	-49.5	170.4	-74	168.4	0	0	0	110.4	R319 Q320 T321 A325 R326 I327	R319-L323 HydrophobicContact CG-CD1 4.49Å; R319-L323 WeakPolarHBondContact O-CB 3.34Å; R319-L323 VanDerWaalsContact O-CG 3.29Å; R319-L323 WeakPolarHBondContact O-CG 3.35Å; R319-L323 PolarHBondContact O-N 2.95Å; Q320-L323 PolarHBondContact O-N 2.9Å; T321-L323 VanDerWaalsContact C-N 3.28Å; T321-L323 PolarHBondContact O-N 2.76Å; L323-A325 VanDerWaalsContact C-N 3.29Å; L323-A325 PolarHBondContact O-N 2.88Å; L323-R326 PolarHBondContact O-N 3.1Å; L323-R326 VanDerWaalsContact O-N 3.15Å; L323-I327 HydrophobicContact CB-CD1 4.4Å; L323-I327 WeakPolarHBondContact O-CB 3.33Å; L323-I327 VanDerWaalsContact O-CG1 3.25Å; L323-I327 WeakPolarHBondContact O-CG1 3.31Å; L323-I327 PolarHBondContact O-N 3Å
324	N	71.8	Confident	68.1	Low	88 Å²	88	126.1 Å²	126.1	47%	0.471	58%	0.584	S	S	.	*	H	α-helix	trans	-61.1	-33.9	178.3	-70.5	-0.3	0	0	0	112.6	Q320 T321 G328	Q320-N324 PolarHBondContact NE2-OD1 2.73Å; Q320-N324 VanDerWaalsContact O-CB 3.3Å; Q320-N324 WeakPolarHBondContact O-CB 3.45Å; Q320-N324 PolarHBondContact O-N 3.03Å; Q320-N324 PolarHBondContact O-OD1 3.02Å; T321-N324 PolarHBondContact O-N 2.72Å; N324-G328 WeakPolarHBondContact O-CA 3.04Å; N324-G328 PolarHBondContact O-N 3.26Å
325	A	66.3	Low	66.2	Low	61 Å²	61	124.7 Å²	124.7	50%	0.504	60%	0.596	S	S	.	*	H	α-helix	trans	-71.3	-36.6	175.5	0	0	0	0	0	112.9	T321 L323	T321-A325 VanDerWaalsContact O-CB 3.28Å; T321-A325 WeakPolarHBondContact O-CB 3.02Å; T321-A325 PolarHBondContact O-N 3.28Å; L323-A325 VanDerWaalsContact C-N 3.29Å; L323-A325 PolarHBondContact O-N 2.88Å
326	R	65.1	Low	63.7	Low	144 Å²	144	127.2 Å²	127.2	54%	0.543	60%	0.602	S	S	.	*	H	α-helix	trans	-71.1	-50	172.4	-80.3	-176.4	-78.8	-175.3	-3.8	111.1	R322 L323 G328 K329 M330	R322-R326 PolarHBondContact O-NE 2.85Å; R322-R326 VanDerWaalsContact O-NE 3.11Å; L323-R326 PolarHBondContact O-N 3.1Å; L323-R326 VanDerWaalsContact O-N 3.15Å; R326-G328 PolarHBondContact O-N 2.95Å; R326-K329 PolarHBondContact O-N 2.96Å; R326-K329 VanDerWaalsContact O-N 3.14Å; R326-M330 WeakPolarHBondContact O-CG 3.18Å
327	I	63	Low	61.9	Low	74 Å²	74	128.7 Å²	128.7	38%	0.379	62%	0.615	S	S	.	*	H	α-helix	trans	-58.1	-37.2	175.3	-67.5	166.1	0	0	0	110.7	L323 K329 M330 K331	L323-I327 HydrophobicContact CB-CD1 4.4Å; L323-I327 WeakPolarHBondContact O-CB 3.33Å; L323-I327 VanDerWaalsContact O-CG1 3.25Å; L323-I327 WeakPolarHBondContact O-CG1 3.31Å; L323-I327 PolarHBondContact O-N 3Å; I327-K329 VanDerWaalsContact C-N 3.25Å; I327-K329 PolarHBondContact O-N 3.05Å; I327-M330 CarbonylContact O-C 3.55Å; I327-M330 WeakPolarHBondContact O-CG 3.47Å; I327-M330 PolarHBondContact O-N 2.82Å; I327-K331 HydrophobicContact CG2-CB 3.92Å; I327-K331 HydrophobicContact CG2-CD 3.9Å; I327-K331 HydrophobicContact CG2-CG 4.45Å; I327-K331 VanDerWaalsContact O-CB 3.25Å; I327-K331 WeakPolarHBondContact O-CB 3.41Å; I327-K331 PolarHBondContact O-N 3Å
328	G	52	Low	60.6	Low	50 Å²	50	129.6 Å²	129.6	52%	0.515	63%	0.63	S	S	.	*	H	α-helix	trans	-58.8	-32.5	178.1	0	0	0	0	0	114	N324 R326 M330	N324-G328 WeakPolarHBondContact O-CA 3.04Å; N324-G328 PolarHBondContact O-N 3.26Å; R326-G328 PolarHBondContact O-N 2.95Å; G328-M330 VanDerWaalsContact C-N 3.28Å; G328-M330 PolarHBondContact O-N 3.17Å
329	K	52.6	Low	59.4	Low	188 Å²	188	128.3 Å²	128.3	82%	0.817	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-8.7	175.4	-67.3	-174.7	175.1	-172.4	0	114.1	R326 I327	R326-K329 PolarHBondContact O-N 2.96Å; R326-K329 VanDerWaalsContact O-N 3.14Å; I327-K329 VanDerWaalsContact C-N 3.25Å; I327-K329 PolarHBondContact O-N 3.05Å
330	M	47.9	Very low	58.7	Low	133 Å²	133	125.8 Å²	125.8	66%	0.655	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.8	-3.8	-176.2	54.6	-165.5	61.9	0	0	114.6	R326 I327 G328 R332	R326-M330 WeakPolarHBondContact O-CG 3.18Å; I327-M330 CarbonylContact O-C 3.55Å; I327-M330 WeakPolarHBondContact O-CG 3.47Å; I327-M330 PolarHBondContact O-N 2.82Å; G328-M330 VanDerWaalsContact C-N 3.28Å; G328-M330 PolarHBondContact O-N 3.17Å; M330-R332 VanDerWaalsContact C-N 3.3Å
331	K	45.5	Very low	58.9	Low	169 Å²	169	125.9 Å²	125.9	74%	0.735	64%	0.642	S	S	*	*	S	Bend	trans	-91.4	13.1	173.9	-160.6	172.4	177	-179.3	0	113.1	I327	I327-K331 HydrophobicContact CG2-CB 3.92Å; I327-K331 HydrophobicContact CG2-CD 3.9Å; I327-K331 HydrophobicContact CG2-CG 4.45Å; I327-K331 VanDerWaalsContact O-CB 3.25Å; I327-K331 WeakPolarHBondContact O-CB 3.41Å; I327-K331 PolarHBondContact O-N 3Å
332	R	52.8	Low	59.2	Low	219 Å²	219	121.7 Å²	121.7	83%	0.826	62%	0.617	S	S	*	*	S	Bend	trans	-124	119.5	145.7	-54.2	-69.5	-171.6	162.2	2.8	103.5	M330	M330-R332 VanDerWaalsContact C-N 3.3Å
333	R	46	Very low	59.3	Low	221 Å²	221	119 Å²	119	83%	0.834	62%	0.62	S	S	*	*			cis	-129.1	165.8	20.5	-63.3	168.8	178.6	144.1	-1.3	111.6
334	K	34.8	Very low	59.9	Low	151 Å²	151	118 Å²	118	66%	0.657	62%	0.615	S	S	*	*			trans	-62.2	147.9	163.3	176.2	-168.1	167.8	-145.6	0	108.8	E336	K334-E336 IonicContact NZ-OE2 3.68Å; K334-E336 PolarHBondContact NZ-OE2 3.06Å; K334-E336 PolarHBondContact O-N 3.09Å
335	P	49.3	Very low	60.5	Low	131 Å²	131	116.9 Å²	116.9	85%	0.851	61%	0.613	S	S	*	*	S	Bend	trans	-67.9	103.4	171.1	28.2	-33.5	0	0	0	109.7
336	E	41.1	Very low	61.1	Low	143 Å²	143	118.7 Å²	118.7	67%	0.668	62%	0.622	S	S	*	*			trans	-143.9	120.9	172.1	-159.7	158.9	157.3	0	0	105.5	K334	K334-E336 IonicContact NZ-OE2 3.68Å; K334-E336 PolarHBondContact NZ-OE2 3.06Å; K334-E336 PolarHBondContact O-N 3.09Å
337	E	50.2	Low	61.9	Low	191 Å²	191	113.3 Å²	113.3	89%	0.893	61%	0.609	S	S	*	*	S	Bend	trans	19.5	118.2	-176.1	-61.4	-172.3	121.4	0	0	121	G339	E337-G339 PolarHBondContact O-N 2.67Å
338	G	55.8	Low	62.7	Low	74 Å²	74	114.3 Å²	114.3	76%	0.763	62%	0.62	S	S	*	*				77	-5.3	126.4	0	0	0	0	0	120.3	Q340	G338-Q340 PolarHBondContact O-N 2.98Å
339	G	60.6	Low	63.9	Low	69 Å²	69	112.8 Å²	112.8	71%	0.711	60%	0.6	S	S	*	*			trans	-60.2	101.6	-176.2	0	0	0	0	0	114.8	E337	E337-G339 PolarHBondContact O-N 2.67Å
340	Q	72.1	Confident	64.9	Low	126 Å²	126	108.3 Å²	108.3	59%	0.589	60%	0.598	S	S	*	*			trans	-79.5	168	172.8	-62	-172.9	5.9	0	0	111.6	G338 L349	G338-Q340 PolarHBondContact O-N 2.98Å; Q340-L349 PolarHBondContact O-N 3.17Å
341	V	84.4	Confident	66.2	Low	97 Å²	97	104.2 Å²	104.2	59%	0.588	59%	0.59	S	S	*	*	B	Isolated β-bridge	trans	-129.5	142.3	177.6	-62.6	0	0	0	0	110.4	P343	V341-P343 WeakPolarHBondContact O-CD 3.16Å
342	C	83.1	Confident	67.7	Low	0 Å²	0	98.2 Å²	98.2	0%	0	57%	0.57	C	S	.	*			trans	-69.7	120.6	-178.8	179	0	0	0	0	110.5	L344 S346 A347 L349 H359	C342-L344 PolarHBondContact O-N 3.01Å; C342-L344 VanDerWaalsContact O-N 3.09Å; C342-S346 WeakPolarHBondContact O-CA 3.32Å; C342-S346 PolarHBondContact O-N 3.07Å; C342-A347 PolarHBondContact N-O 2.89Å; C342-L349 HydrophobicContact CB-CD1 4.23Å; C342-L349 HydrophobicContact CB-CD2 4Å; C342-L349 HydrophobicContact CB-CG 4.03Å; C342-H359 VanDerWaalsContact SG-CD2 3.54Å
343	P	79.7	Confident	68.9	Low	108 Å²	108	95.1 Å²	95.1	70%	0.701	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-6.8	-177.1	29.2	-35.4	0	0	0	113.7	V341	V341-P343 WeakPolarHBondContact O-CD 3.16Å
344	L	83.7	Confident	70.5	Confident	41 Å²	41	91.7 Å²	91.7	22%	0.215	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-100.2	-28.1	-174.7	-56.8	175.7	0	0	0	113.7	C342 V360 C363 L364 R367	C342-L344 PolarHBondContact O-N 3.01Å; C342-L344 VanDerWaalsContact O-N 3.09Å; L344-V360 HydrophobicContact CD1-CG1 3.96Å; L344-C363 HydrophobicContact CB-CB 3.83Å; L344-C363 HydrophobicContact CD1-CB 3.68Å; L344-C363 HydrophobicContact CG-CB 4.4Å; L344-L364 HydrophobicContact CD1-CD2 3.55Å; L344-L364 HydrophobicContact CD1-CG 3.61Å; L344-L364 HydrophobicContact CD2-CD2 4.2Å; L344-R367 PolarHBondContact O-NH2 3.49Å
345	C	84.5	Confident	72.6	Confident	64 Å²	64	89 Å²	89	43%	0.432	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-0.9	-177.6	68.1	0	0	0	0	113.8	A347 H359	C345-A347 PolarHBondContact O-N 3.18Å; C345-A347 VanDerWaalsContact O-N 3.13Å; C345-A347 VanDerWaalsContact SG-CB 3.53Å; C345-H359 PolarHBondContact SG-NE2 3.42Å
346	S	79.9	Confident	74.2	Confident	99 Å²	99	84.7 Å²	84.7	69%	0.692	52%	0.517	S	S	*	.			trans	59.8	11.1	-175.7	-55.2	0	0	0	0	116.1	C342	C342-S346 WeakPolarHBondContact O-CA 3.32Å; C342-S346 PolarHBondContact O-N 3.07Å
347	A	81.2	Confident	76.2	Confident	32 Å²	32	80.5 Å²	80.5	26%	0.264	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-66.8	139.3	173.8	0	0	0	0	0	111.1	C342 C345 L349	C342-A347 PolarHBondContact N-O 2.89Å; C345-A347 PolarHBondContact O-N 3.18Å; C345-A347 VanDerWaalsContact O-N 3.13Å; C345-A347 VanDerWaalsContact SG-CB 3.53Å; A347-L349 PolarHBondContact O-N 3.4Å
348	P	79.7	Confident	78	Confident	95 Å²	95	77.2 Å²	77.2	62%	0.617	48%	0.483	S	S	*	.	B	Isolated β-bridge	trans	-67.5	125.1	173.3	28.3	-33.2	0	0	0	110.3
349	L	77.9	Confident	79.5	Confident	17 Å²	17	76.5 Å²	76.5	9%	0.089	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-82.9	129.1	177.1	-67.5	173	0	0	0	109	Q340 C342 A347 M356 H359 V360	Q340-L349 PolarHBondContact O-N 3.17Å; C342-L349 HydrophobicContact CB-CD1 4.23Å; C342-L349 HydrophobicContact CB-CD2 4Å; C342-L349 HydrophobicContact CB-CG 4.03Å; A347-L349 PolarHBondContact O-N 3.4Å; L349-M356 HydrophobicContact CB-CB 4.36Å; L349-M356 HydrophobicContact CB-CG 3.85Å; L349-M356 HydrophobicContact CB-SD 3.69Å; L349-M356 HydrophobicContact CD1-CB 4.33Å; L349-M356 HydrophobicContact CD2-CB 4.41Å; L349-H359 HydrophobicContact CD2-CB 4Å; L349-H359 VanDerWaalsContact CD2-CD2 3.43Å; L349-H359 WeakPolarHBondContact CD2-CD2 3.44Å; L349-V360 HydrophobicContact CD1-CG2 4.39Å
350	A	73.6	Confident	80.7	Confident	95 Å²	95	75 Å²	75	79%	0.785	44%	0.436	S	S	*	.			trans	-152.2	130.5	176.6	0	0	0	0	0	109
351	G	75.4	Confident	81.4	Confident	47 Å²	47	74.5 Å²	74.5	49%	0.485	43%	0.434	S	S	.	.	S	Bend	trans	144.3	-167.9	-170.1	0	0	0	0	0	110.5	E355	G351-E355 WeakPolarHBondContact CA-OE2 3.43Å
352	S	76.5	Confident	81.4	Confident	43 Å²	43	75.1 Å²	75.1	30%	0.301	43%	0.43	S	S	.	.			trans	-69.1	164.3	166.4	84.3	0	0	0	0	111.4	E354 E355 M356	S352-E354 PolarHBondContact O-N 3.39Å; S352-E354 WeakPolarHBondContact OG-CB 3.42Å; S352-E354 PolarHBondContact OG-N 3.04Å; S352-E354 PolarHBondContact OG-OE2 3.25Å; S352-E355 PolarHBondContact N-OE2 3.34Å; S352-E355 PolarHBondContact O-N 3.48Å; S352-E355 PolarHBondContact OG-N 3.02Å; S352-M356 WeakPolarHBondContact O-CG 3.23Å; S352-M356 PolarHBondContact O-N 3.31Å
353	E	78.3	Confident	81.6	Confident	154 Å²	154	76.4 Å²	76.4	72%	0.72	44%	0.439	S	S	*	.	H	α-helix	trans	-55.4	-32.3	173.2	-172	170	-171.3	0	0	112.1	M356 S357	E353-M356 HydrophobicContact CB-CE 4.5Å; E353-S357 VanDerWaalsContact O-CB 3.31Å; E353-S357 WeakPolarHBondContact O-CB 3.46Å; E353-S357 PolarHBondContact O-N 3.32Å; E353-S357 PolarHBondContact O-OG 3.16Å
354	E	78.3	Confident	81.8	Confident	149 Å²	149	74.9 Å²	74.9	70%	0.696	42%	0.424	S	S	*	.	H	α-helix	trans	-71.4	-38.9	176.5	-51.9	144.7	139.9	0	0	111.7	S352 S357 R358	S352-E354 PolarHBondContact O-N 3.39Å; S352-E354 WeakPolarHBondContact OG-CB 3.42Å; S352-E354 PolarHBondContact OG-N 3.04Å; S352-E354 PolarHBondContact OG-OE2 3.25Å; E354-S357 PolarHBondContact O-N 2.84Å; E354-R358 WeakPolarHBondContact O-CB 3.15Å; E354-R358 PolarHBondContact O-N 3.49Å
355	E	80.1	Confident	81.8	Confident	94 Å²	94	78.4 Å²	78.4	44%	0.439	44%	0.442	S	S	.	.	H	α-helix	trans	-68.9	-38	175	-64.7	-175.4	113.5	0	0	112.1	G351 S352 R358 H359	G351-E355 WeakPolarHBondContact CA-OE2 3.43Å; S352-E355 PolarHBondContact N-OE2 3.34Å; S352-E355 PolarHBondContact O-N 3.48Å; S352-E355 PolarHBondContact OG-N 3.02Å; E355-R358 IonicContact OE1-NH2 3.98Å; E355-H359 PolarHBondContact O-N 3.28Å; E355-H359 VanDerWaalsContact O-N 3.1Å
356	M	81.9	Confident	81.5	Confident	41 Å²	41	82.1 Å²	82.1	20%	0.202	45%	0.453	C	S	.	.	H	α-helix	trans	-65	-43.5	173.5	-64.4	-164.9	-68.1	0	0	111.2	L349 S352 E353 H359 V360	L349-M356 HydrophobicContact CB-CB 4.36Å; L349-M356 HydrophobicContact CB-CG 3.85Å; L349-M356 HydrophobicContact CB-SD 3.69Å; L349-M356 HydrophobicContact CD1-CB 4.33Å; L349-M356 HydrophobicContact CD2-CB 4.41Å; S352-M356 WeakPolarHBondContact O-CG 3.23Å; S352-M356 PolarHBondContact O-N 3.31Å; E353-M356 HydrophobicContact CB-CE 4.5Å; M356-H359 PolarHBondContact O-N 2.72Å; M356-V360 WeakPolarHBondContact O-CG2 3.44Å; M356-V360 PolarHBondContact O-N 3Å
357	S	84.2	Confident	81.1	Confident	55 Å²	55	84 Å²	84	39%	0.385	45%	0.445	S	S	.	.	H	α-helix	trans	-64.7	-47.8	177.7	-58.2	0	0	0	0	111.5	E353 E354 H359 V360 E361	E353-S357 VanDerWaalsContact O-CB 3.31Å; E353-S357 WeakPolarHBondContact O-CB 3.46Å; E353-S357 PolarHBondContact O-N 3.32Å; E353-S357 PolarHBondContact O-OG 3.16Å; E354-S357 PolarHBondContact O-N 2.84Å; S357-H359 VanDerWaalsContact C-N 3.26Å; S357-H359 PolarHBondContact O-N 3.11Å; S357-V360 WeakPolarHBondContact O-CA 3.46Å; S357-V360 WeakPolarHBondContact O-CB 3.2Å; S357-V360 PolarHBondContact O-N 2.85Å; S357-E361 WeakPolarHBondContact O-CG 3.28Å; S357-E361 PolarHBondContact O-N 3.45Å
358	R	86.8	Confident	80.5	Confident	122 Å²	122	89 Å²	89	46%	0.46	46%	0.463	S	S	.	.	H	α-helix	trans	-56.6	-36.5	175.1	179.3	173.2	58.9	79.8	-4	112.8	E354 E355 Q362	E354-R358 WeakPolarHBondContact O-CB 3.15Å; E354-R358 PolarHBondContact O-N 3.49Å; E355-R358 IonicContact OE1-NH2 3.98Å; R358-Q362 WeakPolarHBondContact O-CB 3.39Å; R358-Q362 VanDerWaalsContact O-CG 3.27Å; R358-Q362 WeakPolarHBondContact O-CG 3.39Å; R358-Q362 PolarHBondContact O-N 3.4Å
359	H	88.1	Confident	79.4	Confident	58 Å²	58	86.1 Å²	86.1	27%	0.269	45%	0.45	S	S	.	.	H	α-helix	trans	-67	-41.3	173.7	175.3	97.4	0	0	0	112.1	C342 C345 L349 E355 M356 S357 C363	C342-H359 VanDerWaalsContact SG-CD2 3.54Å; C345-H359 PolarHBondContact SG-NE2 3.42Å; L349-H359 HydrophobicContact CD2-CB 4Å; L349-H359 VanDerWaalsContact CD2-CD2 3.43Å; L349-H359 WeakPolarHBondContact CD2-CD2 3.44Å; E355-H359 PolarHBondContact O-N 3.28Å; E355-H359 VanDerWaalsContact O-N 3.1Å; M356-H359 PolarHBondContact O-N 2.72Å; S357-H359 VanDerWaalsContact C-N 3.26Å; S357-H359 PolarHBondContact O-N 3.11Å; H359-C363 PolarHBondContact NE2-SG 2.97Å; H359-C363 WeakPolarHBondContact O-CB 3.3Å; H359-C363 PolarHBondContact O-N 3.31Å; H359-C363 PolarHBondContact O-SG 3.05Å
360	V	85.4	Confident	78.1	Confident	39 Å²	39	87.9 Å²	87.9	24%	0.236	47%	0.468	C	S	.	.	H	α-helix	trans	-66.4	-44.6	176.8	174.5	0	0	0	0	110.8	L344 L349 M356 S357 Q362 C363 L364	L344-V360 HydrophobicContact CD1-CG1 3.96Å; L349-V360 HydrophobicContact CD1-CG2 4.39Å; M356-V360 WeakPolarHBondContact O-CG2 3.44Å; M356-V360 PolarHBondContact O-N 3Å; S357-V360 WeakPolarHBondContact O-CA 3.46Å; S357-V360 WeakPolarHBondContact O-CB 3.2Å; S357-V360 PolarHBondContact O-N 2.85Å; V360-Q362 PolarHBondContact O-N 2.86Å; V360-C363 CarbonylContact O-C 3.57Å; V360-C363 WeakPolarHBondContact O-CB 3.46Å; V360-C363 PolarHBondContact O-N 2.87Å; V360-C363 VanDerWaalsContact O-N 3.11Å; V360-L364 WeakPolarHBondContact O-CG 3.39Å; V360-L364 PolarHBondContact O-N 3.07Å
361	E	87.6	Confident	77	Confident	114 Å²	114	90.7 Å²	90.7	53%	0.533	47%	0.469	S	S	.	.	H	α-helix	trans	-57.9	-47.6	174.1	-70.9	172.1	175	0	0	111.8	S357 C363 L364 I365	S357-E361 WeakPolarHBondContact O-CG 3.28Å; S357-E361 PolarHBondContact O-N 3.45Å; E361-C363 VanDerWaalsContact C-N 3.28Å; E361-C363 PolarHBondContact O-N 3.14Å; E361-L364 WeakPolarHBondContact O-CB 3.46Å; E361-L364 PolarHBondContact O-N 3.38Å; E361-L364 VanDerWaalsContact O-N 3.11Å; E361-I365 WeakPolarHBondContact O-CG1 3.34Å; E361-I365 PolarHBondContact O-N 3.48Å
362	Q	84.2	Confident	75.9	Confident	111 Å²	111	92.1 Å²	92.1	52%	0.519	48%	0.476	S	S	.	.	H	α-helix	trans	-62.5	-34.3	175	-74.3	179.3	-25.1	0	0	112.3	R358 V360 Q366	R358-Q362 WeakPolarHBondContact O-CB 3.39Å; R358-Q362 VanDerWaalsContact O-CG 3.27Å; R358-Q362 WeakPolarHBondContact O-CG 3.39Å; R358-Q362 PolarHBondContact O-N 3.4Å; V360-Q362 PolarHBondContact O-N 2.86Å; Q362-Q366 WeakPolarHBondContact O-CB 3.34Å; Q362-Q366 PolarHBondContact O-N 2.92Å
363	C	87.1	Confident	74.4	Confident	27 Å²	27	97.5 Å²	97.5	18%	0.182	50%	0.501	C	S	.	.	H	α-helix	trans	-73.2	-23.6	174.2	-71.3	0	0	0	0	114.1	L344 H359 V360 E361	L344-C363 HydrophobicContact CB-CB 3.83Å; L344-C363 HydrophobicContact CD1-CB 3.68Å; L344-C363 HydrophobicContact CG-CB 4.4Å; H359-C363 PolarHBondContact NE2-SG 2.97Å; H359-C363 WeakPolarHBondContact O-CB 3.3Å; H359-C363 PolarHBondContact O-N 3.31Å; H359-C363 PolarHBondContact O-SG 3.05Å; V360-C363 CarbonylContact O-C 3.57Å; V360-C363 WeakPolarHBondContact O-CB 3.46Å; V360-C363 PolarHBondContact O-N 2.87Å; V360-C363 VanDerWaalsContact O-N 3.11Å; E361-C363 VanDerWaalsContact C-N 3.28Å; E361-C363 PolarHBondContact O-N 3.14Å
364	L	84.3	Confident	73	Confident	75 Å²	75	98.4 Å²	98.4	39%	0.393	51%	0.505	S	S	.	.	H	α-helix	trans	-75.6	-53.5	169.9	-69.6	171	0	0	0	110.2	L344 V360 E361 Q366 R367 E368	L344-L364 HydrophobicContact CD1-CD2 3.55Å; L344-L364 HydrophobicContact CD1-CG 3.61Å; L344-L364 HydrophobicContact CD2-CD2 4.2Å; V360-L364 WeakPolarHBondContact O-CG 3.39Å; V360-L364 PolarHBondContact O-N 3.07Å; E361-L364 WeakPolarHBondContact O-CB 3.46Å; E361-L364 PolarHBondContact O-N 3.38Å; E361-L364 VanDerWaalsContact O-N 3.11Å; L364-Q366 VanDerWaalsContact C-N 3.28Å; L364-Q366 PolarHBondContact O-N 3.18Å; L364-R367 WeakPolarHBondContact O-CA 3.27Å; L364-R367 WeakPolarHBondContact O-CB 3.26Å; L364-R367 PolarHBondContact O-N 3.39Å; L364-E368 PolarHBondContact O-N 2.88Å
365	I	82.4	Confident	71.2	Confident	115 Å²	115	98.2 Å²	98.2	59%	0.59	51%	0.509	S	S	*	.	H	α-helix	trans	-59.7	-39.4	-179.4	-64.5	165	0	0	0	110.9	E361 R367 E368 G369	E361-I365 WeakPolarHBondContact O-CG1 3.34Å; E361-I365 PolarHBondContact O-N 3.48Å; I365-R367 PolarHBondContact O-N 3.1Å; I365-E368 PolarHBondContact O-N 2.88Å; I365-G369 PolarHBondContact O-N 3.31Å
366	Q	78.4	Confident	69.6	Low	142 Å²	142	99.6 Å²	99.6	66%	0.664	53%	0.529	S	S	*	.	H	α-helix	trans	-67	-22.7	176.1	-173.5	60	87	0	0	113.3	Q362 L364 A370	Q362-Q366 WeakPolarHBondContact O-CB 3.34Å; Q362-Q366 PolarHBondContact O-N 2.92Å; L364-Q366 VanDerWaalsContact C-N 3.28Å; L364-Q366 PolarHBondContact O-N 3.18Å; Q366-A370 VanDerWaalsContact O-CB 3.31Å; Q366-A370 WeakPolarHBondContact O-CB 3.35Å
367	R	72	Confident	67.8	Low	139 Å²	139	101.5 Å²	101.5	53%	0.525	55%	0.552	S	S	.	*	H	α-helix	trans	-86.2	-34.7	176.3	-177.8	-178.9	-65.7	-170.6	-2.8	112.2	L344 L364 I365	L344-R367 PolarHBondContact O-NH2 3.49Å; L364-R367 WeakPolarHBondContact O-CA 3.27Å; L364-R367 WeakPolarHBondContact O-CB 3.26Å; L364-R367 PolarHBondContact O-N 3.39Å; I365-R367 PolarHBondContact O-N 3.1Å
368	E	67.8	Low	65.5	Low	138 Å²	138	106.8 Å²	106.8	65%	0.645	58%	0.576	S	S	*	*	H	α-helix	trans	-80.7	-41.5	178.1	-67.4	176.3	163.9	0	0	111.7	L364 I365 A370 L371	L364-E368 PolarHBondContact O-N 2.88Å; I365-E368 PolarHBondContact O-N 2.88Å; E368-A370 VanDerWaalsContact C-N 3.27Å; E368-A370 PolarHBondContact O-N 2.69Å; E368-L371 PolarHBondContact O-N 2.86Å
369	G	56.8	Low	63.6	Low	33 Å²	33	109.7 Å²	109.7	34%	0.34	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-66	-26.1	175.3	0	0	0	0	0	113.9	I365 L371 A372	I365-G369 PolarHBondContact O-N 3.31Å; G369-L371 PolarHBondContact O-N 2.98Å; G369-A372 PolarHBondContact O-N 3.26Å
370	A	50.9	Low	61.3	Low	55 Å²	55	114.9 Å²	114.9	46%	0.455	63%	0.626	S	S	.	*	G	3₁₀ helix	trans	-72.6	17.5	172.1	0	0	0	0	0	114.1	Q366 E368	Q366-A370 VanDerWaalsContact O-CB 3.31Å; Q366-A370 WeakPolarHBondContact O-CB 3.35Å; E368-A370 VanDerWaalsContact C-N 3.27Å; E368-A370 PolarHBondContact O-N 2.69Å
371	L	51.2	Low	59.1	Low	154 Å²	154	116.3 Å²	116.3	81%	0.806	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-132.7	10.5	170.3	-62	173.8	0	0	0	111.9	E368 G369	E368-L371 PolarHBondContact O-N 2.86Å; G369-L371 PolarHBondContact O-N 2.98Å
372	A	52.2	Low	56.8	Low	76 Å²	76	119.7 Å²	119.7	63%	0.628	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134	-7.5	-166.1	0	0	0	0	0	115.9	G369	G369-A372 PolarHBondContact O-N 3.26Å
373	D	44.6	Very low	54.6	Low	157 Å²	157	121.5 Å²	121.5	84%	0.84	68%	0.678	S	S	*	*	S	Bend	trans	-121.6	21.3	-170.3	-151.1	26.3	0	0	0	113.3
374	E	48.1	Very low	52.6	Low	172 Å²	172	124.4 Å²	124.4	80%	0.804	71%	0.712	S	S	*	*	S	Bend	trans	-133.9	19.1	177.1	64.5	-169.1	123.2	0	0	114.5
375	D	41.5	Very low	51	Low	145 Å²	145	128.9 Å²	128.9	78%	0.775	72%	0.723	S	S	*	*			trans	-133.1	90.9	170.6	-168.2	6.8	0	0	0	111.4
376	S	45.8	Very low	49.3	Very low	123 Å²	123	127.1 Å²	127.1	86%	0.86	73%	0.734	S	S	*	*			trans	-149.7	41.4	175.1	61.7	0	0	0	0	113.4
377	A	43.7	Very low	48.2	Very low	82 Å²	82	124.7 Å²	124.7	68%	0.678	72%	0.721	S	S	*	*	S	Bend	trans	-143.4	125	170.3	0	0	0	0	0	112.1
378	D	37.1	Very low	47.3	Very low	166 Å²	166	122 Å²	122	89%	0.888	72%	0.717	S	S	*	*			trans	58.1	99.8	171.8	-64.7	-23.8	0	0	0	119.4
379	M	47.7	Very low	47.2	Very low	183 Å²	183	119.9 Å²	119.9	90%	0.901	71%	0.708	S	S	*	*			trans	-63.5	127.3	151.1	-83.1	-102	-166.4	0	0	111.1
380	D	38.2	Very low	47.7	Very low	167 Å²	167	123 Å²	123	89%	0.893	71%	0.71	S	S	*	*				-175	154.1	117.1	-111.1	-28.7	0	0	0	112.3
381	G	39.9	Very low	49	Very low	68 Å²	68	126.4 Å²	126.4	70%	0.701	72%	0.716	S	S	*	*			trans	105.6	78	155.8	0	0	0	0	0	120.1
382	E	39.3	Very low	49.9	Very low	185 Å²	185	127.4 Å²	127.4	86%	0.864	71%	0.71	S	S	*	*			trans	69.6	123.3	135.8	-155.6	152.7	110.6	0	0	122.2
383	N	36.9	Very low	50.5	Low	150 Å²	150	128.6 Å²	128.6	80%	0.802	72%	0.719	S	S	*	*			trans	53.7	78.1	158.6	-84.5	2.7	0	0	0	120.4	R385	N383-R385 PolarHBondContact O-N 2.9Å
384	G	46.8	Very low	51.9	Low	87 Å²	87	124.2 Å²	124.2	90%	0.897	71%	0.711	S	S	*	*	S	Bend	trans	-68.5	53.2	164.7	0	0	0	0	0	116.6
385	R	49	Very low	52.2	Low	169 Å²	169	121.4 Å²	121.4	64%	0.638	70%	0.698	S	S	*	*			trans	-141.5	57.6	163	-73.3	-163.8	-172.9	-97.9	1.7	111.2	N383 F387 E405	N383-R385 PolarHBondContact O-N 2.9Å; R385-F387 PolarHBondContact O-N 3.45Å; R385-E405 IonicContact CZ-OE1 3.1Å; R385-E405 IonicContact NH1-OE1 2.73Å; R385-E405 PolarHBondContact NH1-OE1 3.44Å; R385-E405 IonicContact NH2-OE1 3.06Å; R385-E405 PolarHBondContact NH2-OE1 2.94Å
386	G	46.6	Very low	54.1	Low	79 Å²	79	120.5 Å²	120.5	81%	0.814	69%	0.687	S	S	*	*			trans	-68.6	108.3	171	0	0	0	0	0	111.3
387	F	55.7	Low	55.4	Low	90 Å²	90	120.6 Å²	120.6	40%	0.395	67%	0.669	S	S	.	*			trans	-77.5	135.9	169.8	-62.9	-64.8	0	0	0	110.2	R385 E389 I398 A402 L403	R385-F387 PolarHBondContact O-N 3.45Å; F387-E389 VanDerWaalsContact C-N 3.29Å; F387-E389 PolarHBondContact O-N 3.17Å; F387-I398 HydrophobicContact CB-CD1 4.08Å; F387-I398 HydrophobicContact CB-CG1 4.19Å; F387-I398 HydrophobicContact CB-CG2 3.99Å; F387-I398 HydrophobicContact CD2-CD1 4.29Å; F387-I398 HydrophobicContact CG-CD1 4.25Å; F387-I398 HydrophobicContact CG-CG2 4.44Å; F387-A402 WeakPolarHBondContact CD1-O 3.2Å; F387-L403 HydrophobicContact CD1-CD2 3.98Å; F387-L403 HydrophobicContact CE1-CD2 3.73Å; F387-L403 HydrophobicContact CZ-CD2 4.14Å
388	D	53.5	Low	57.1	Low	82 Å²	82	119.7 Å²	119.7	44%	0.439	65%	0.652	S	S	.	*			trans	-69.5	83.6	174.8	-175.4	46.1	0	0	0	110	R399 A402	D388-R399 PolarHBondContact O-N 3.44Å; D388-R399 IonicContact OD2-CZ 3.46Å; D388-R399 IonicContact OD2-NE 3.61Å; D388-R399 PolarHBondContact OD2-NE 2.77Å; D388-R399 IonicContact OD2-NH2 2.77Å; D388-R399 PolarHBondContact OD2-NH2 2.95Å; D388-R399 VanDerWaalsContact OD2-NH2 3.1Å; D388-A402 HydrophobicContact CB-CB 4.09Å
389	E	65.8	Low	58.6	Low	95 Å²	95	117.6 Å²	117.6	44%	0.444	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.4	122.1	173.7	-57.4	-159.6	133.7	0	0	110.5	F387 K396 I398	F387-E389 VanDerWaalsContact C-N 3.29Å; F387-E389 PolarHBondContact O-N 3.17Å; E389-K396 WeakPolarHBondContact OE2-CD 3.41Å; E389-K396 IonicContact OE2-NZ 3.93Å; E389-K396 PolarHBondContact OE2-NZ 2.92Å; E389-I398 HydrophobicContact CG-CG1 4.03Å
390	Y	67.3	Low	59.3	Low	99 Å²	99	112.8 Å²	112.8	39%	0.388	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.1	145	167.4	72.9	-80.4	0	0	0	110.2	W392 R397 R399	Y390-W392 HydrophobicContact CD2-CB 4.5Å; Y390-W392 HydrophobicContact CE2-CB 4.21Å; Y390-R397 VanDerWaalsContact CD1-O 3.29Å; Y390-R397 WeakPolarHBondContact CD1-O 3.47Å; Y390-R397 HydrophobicContact CE1-CB 4.29Å; Y390-R397 PolarHBondContact N-O 3.45Å; Y390-R397 PolarHBondContact O-N 3.31Å; Y390-R399 HydrophobicContact CE1-CB 4.39Å
391	E	77.6	Confident	60.4	Low	125 Å²	125	107.7 Å²	107.7	58%	0.584	60%	0.596	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.2	128.8	178.9	-162.8	173.6	130.6	0	0	110.4	G394 K396	E391-G394 WeakPolarHBondContact OE1-CA 3.25Å; E391-K396 HydrophobicContact CB-CG 4.36Å; E391-K396 HydrophobicContact CG-CG 4.23Å
392	W	71.1	Confident	61.4	Low	176 Å²	176	106 Å²	106	67%	0.667	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.9	123.7	174.7	-175.4	-85.1	0	0	0	109.9	Y390 G394 Q395	Y390-W392 HydrophobicContact CD2-CB 4.5Å; Y390-W392 HydrophobicContact CE2-CB 4.21Å; W392-G394 VanDerWaalsContact C-N 3.28Å; W392-G394 PolarHBondContact O-N 3.36Å; W392-Q395 PolarHBondContact N-O 3.19Å; W392-Q395 PolarHBondContact O-N 2.96Å
393	A	64.4	Low	62.5	Low	100 Å²	100	102.5 Å²	102.5	83%	0.826	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.2	41.3	-178.6	0	0	0	0	0	114.2	Q395	A393-Q395 VanDerWaalsContact C-N 3.29Å; A393-Q395 PolarHBondContact O-N 3.06Å
394	G	74.7	Confident	63.5	Low	66 Å²	66	99.6 Å²	99.6	68%	0.68	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	7.2	180	0	0	0	0	0	115	E391 W392	E391-G394 WeakPolarHBondContact OE1-CA 3.25Å; W392-G394 VanDerWaalsContact C-N 3.28Å; W392-G394 PolarHBondContact O-N 3.36Å
395	Q	54	Low	63.8	Low	113 Å²	113	102.4 Å²	102.4	53%	0.528	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.4	176.5	-165.9	-178.2	26	0	0	110.5	W392 A393	W392-Q395 PolarHBondContact N-O 3.19Å; W392-Q395 PolarHBondContact O-N 2.96Å; A393-Q395 VanDerWaalsContact C-N 3.29Å; A393-Q395 PolarHBondContact O-N 3.06Å
396	K	80.1	Confident	64.4	Low	125 Å²	125	97.2 Å²	97.2	54%	0.543	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.4	171.9	-73.4	-177.8	149.9	-147.8	0	111.4	E389 E391	E389-K396 WeakPolarHBondContact OE2-CD 3.41Å; E389-K396 IonicContact OE2-NZ 3.93Å; E389-K396 PolarHBondContact OE2-NZ 2.92Å; E391-K396 HydrophobicContact CB-CG 4.36Å; E391-K396 HydrophobicContact CG-CG 4.23Å
397	R	74.7	Confident	65.3	Low	125 Å²	125	94.5 Å²	94.5	47%	0.472	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.6	178.5	-63.1	-176	179.8	-168.1	-2.3	109.9	Y390	Y390-R397 VanDerWaalsContact CD1-O 3.29Å; Y390-R397 WeakPolarHBondContact CD1-O 3.47Å; Y390-R397 HydrophobicContact CE1-CB 4.29Å; Y390-R397 PolarHBondContact N-O 3.45Å; Y390-R397 PolarHBondContact O-N 3.31Å
398	I	77.8	Confident	65.3	Low	63 Å²	63	95.2 Å²	95.2	32%	0.323	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	132.5	174.2	-62.7	168.9	0	0	0	108.6	F387 E389 A400 A402 L403	F387-I398 HydrophobicContact CB-CD1 4.08Å; F387-I398 HydrophobicContact CB-CG1 4.19Å; F387-I398 HydrophobicContact CB-CG2 3.99Å; F387-I398 HydrophobicContact CD2-CD1 4.29Å; F387-I398 HydrophobicContact CG-CD1 4.25Å; F387-I398 HydrophobicContact CG-CG2 4.44Å; E389-I398 HydrophobicContact CG-CG1 4.03Å; I398-A400 PolarHBondContact O-N 3.21Å; I398-A402 HydrophobicContact CG2-CB 4.41Å; I398-L403 HydrophobicContact CG2-CD1 4.38Å; I398-L403 HydrophobicContact CG2-CD2 4.18Å; I398-L403 HydrophobicContact CG2-CG 3.94Å
399	R	70.1	Confident	65.5	Low	122 Å²	122	98.9 Å²	98.9	46%	0.46	52%	0.517	S	S	.	.			trans	-66.7	125	172	-163.8	-170.2	-54.8	-100	2.6	109.2	D388 Y390 T401 A402	D388-R399 PolarHBondContact O-N 3.44Å; D388-R399 IonicContact OD2-CZ 3.46Å; D388-R399 IonicContact OD2-NE 3.61Å; D388-R399 PolarHBondContact OD2-NE 2.77Å; D388-R399 IonicContact OD2-NH2 2.77Å; D388-R399 PolarHBondContact OD2-NH2 2.95Å; D388-R399 VanDerWaalsContact OD2-NH2 3.1Å; Y390-R399 HydrophobicContact CE1-CB 4.39Å; R399-T401 WeakPolarHBondContact CD-OG1 3.45Å; R399-T401 WeakPolarHBondContact CG-OG1 3.48Å; R399-T401 PolarHBondContact O-N 2.89Å; R399-A402 WeakPolarHBondContact O-CB 3.5Å; R399-A402 PolarHBondContact O-N 3.39Å
400	A	61.4	Low	65	Low	82 Å²	82	97.1 Å²	97.1	68%	0.678	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-55.5	-26.6	-174.7	0	0	0	0	0	114.4	I398 A402 L403	I398-A400 PolarHBondContact O-N 3.21Å; A400-A402 VanDerWaalsContact C-N 3.3Å; A400-A402 PolarHBondContact O-N 3.19Å; A400-L403 PolarHBondContact O-N 3.35Å
401	T	60.8	Low	64.6	Low	60 Å²	60	95.8 Å²	95.8	37%	0.368	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-72.3	-17.5	176.2	58.9	0	0	0	0	114.3	R399 F408	R399-T401 WeakPolarHBondContact CD-OG1 3.45Å; R399-T401 WeakPolarHBondContact CG-OG1 3.48Å; R399-T401 PolarHBondContact O-N 2.89Å; T401-F408 HydrophobicContact CG2-CD2 3.86Å; T401-F408 HydrophobicContact CG2-CE2 3.67Å
402	A	62.2	Low	63.6	Low	33 Å²	33	93.2 Å²	93.2	27%	0.273	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-85.9	-14.5	176.7	0	0	0	0	0	112.8	F387 D388 I398 R399 A400 L404	F387-A402 WeakPolarHBondContact CD1-O 3.2Å; D388-A402 HydrophobicContact CB-CB 4.09Å; I398-A402 HydrophobicContact CG2-CB 4.41Å; R399-A402 WeakPolarHBondContact O-CB 3.5Å; R399-A402 PolarHBondContact O-N 3.39Å; A400-A402 VanDerWaalsContact C-N 3.3Å; A400-A402 PolarHBondContact O-N 3.19Å; A402-L404 PolarHBondContact O-N 2.99Å
403	L	63	Low	62.5	Low	111 Å²	111	91.3 Å²	91.3	58%	0.581	53%	0.531	S	S	*	.	S	Bend	trans	-80.4	-1.6	172.6	-67.3	167.5	0	0	0	112.7	F387 I398 A400	F387-L403 HydrophobicContact CD1-CD2 3.98Å; F387-L403 HydrophobicContact CE1-CD2 3.73Å; F387-L403 HydrophobicContact CZ-CD2 4.14Å; I398-L403 HydrophobicContact CG2-CD1 4.38Å; I398-L403 HydrophobicContact CG2-CD2 4.18Å; I398-L403 HydrophobicContact CG2-CG 3.94Å; A400-L403 PolarHBondContact O-N 3.35Å
404	L	57.6	Low	61.6	Low	90 Å²	90	91.4 Å²	91.4	47%	0.471	53%	0.532	S	S	.	.	S	Bend	trans	-101.3	120.6	-175.6	-161.7	73.1	0	0	0	111.4	A402 G406 G407 T411	A402-L404 PolarHBondContact O-N 2.99Å; L404-G406 PolarHBondContact O-N 3.09Å; L404-G407 PolarHBondContact O-N 2.86Å; L404-T411 HydrophobicContact CD2-CG2 3.42Å; L404-T411 VanDerWaalsContact CD2-CG2 3.42Å
405	E	51.6	Low	60.3	Low	146 Å²	146	90.7 Å²	90.7	68%	0.682	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	121.4	179.5	-161.3	147.8	-107.9	0	0	110.5	R385	R385-E405 IonicContact CZ-OE1 3.1Å; R385-E405 IonicContact NH1-OE1 2.73Å; R385-E405 PolarHBondContact NH1-OE1 3.44Å; R385-E405 IonicContact NH2-OE1 3.06Å; R385-E405 PolarHBondContact NH2-OE1 2.94Å
406	G	62.6	Low	59.5	Low	60 Å²	60	91.1 Å²	91.1	62%	0.619	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-3.6	-170.7	0	0	0	0	0	115.7	L404 G410	L404-G406 PolarHBondContact O-N 3.09Å; G406-G410 PolarHBondContact O-N 2.91Å; G406-G410 VanDerWaalsContact O-N 3.13Å
407	G	64.8	Low	57.6	Low	21 Å²	21	89.5 Å²	89.5	22%	0.216	53%	0.532	C	S	.	.	H	α-helix	trans	57.2	-155.7	174	0	0	0	0	0	114.8	L404 R409 G410	L404-G407 PolarHBondContact O-N 2.86Å; G407-R409 PolarHBondContact O-N 3.34Å; G407-G410 PolarHBondContact O-N 2.8Å; G407-G410 VanDerWaalsContact O-N 3.11Å
408	F	55.6	Low	56.2	Low	105 Å²	105	91.2 Å²	91.2	46%	0.461	55%	0.549	S	S	.	.	H	α-helix	trans	-67.6	-16.1	-174.9	-128.9	-87.8	0	0	0	114.5	T401 T411 F413 T415	T401-F408 HydrophobicContact CG2-CD2 3.86Å; T401-F408 HydrophobicContact CG2-CE2 3.67Å; F408-T411 PolarHBondContact O-OG1 3.45Å; F408-F413 HydrophobicContact CD1-CB 3.56Å; F408-F413 HydrophobicContact CD1-CG 4.15Å; F408-F413 HydrophobicContact CE1-CB 3.59Å; F408-F413 HydrophobicContact CE1-CD1 4.15Å; F408-F413 HydrophobicContact CE1-CD2 4.14Å; F408-F413 AromaticContact CE1-CG 3.7Å; F408-F413 HydrophobicContact CE1-CG 3.7Å; F408-T415 HydrophobicContact CB-CG2 4.22Å; F408-T415 HydrophobicContact CD1-CG2 4.09Å
409	R	58	Low	54.4	Low	159 Å²	159	96.8 Å²	96.8	60%	0.6	57%	0.571	S	S	*	*	H	α-helix	trans	-81	-34.7	172.4	-69.3	-170.3	-176.1	-71.7	-8.4	111.8	G407 T411 G412 T415	G407-R409 PolarHBondContact O-N 3.34Å; R409-T411 PolarHBondContact O-N 3.45Å; R409-G412 PolarHBondContact O-N 2.87Å; R409-G412 VanDerWaalsContact O-N 3.17Å; R409-T415 WeakPolarHBondContact CG-OG1 3.31Å; R409-T415 PolarHBondContact NH1-O 3.48Å; R409-T415 VanDerWaalsContact NH1-O 3.11Å; R409-T415 PolarHBondContact NH1-OG1 2.76Å; R409-T415 PolarHBondContact NH2-O 3.29Å; R409-T415 VanDerWaalsContact NH2-O 3.1Å; R409-T415 PolarHBondContact NH2-OG1 3.1Å
410	G	55.3	Low	53.4	Low	59 Å²	59	99.7 Å²	99.7	61%	0.608	59%	0.59	S	S	*	*	H	α-helix	trans	-62.1	-23	177.9	0	0	0	0	0	114.4	G406 G407	G406-G410 PolarHBondContact O-N 2.91Å; G406-G410 VanDerWaalsContact O-N 3.13Å; G407-G410 PolarHBondContact O-N 2.8Å; G407-G410 VanDerWaalsContact O-N 3.11Å
411	T	60.2	Low	52.2	Low	71 Å²	71	100.4 Å²	100.4	44%	0.436	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	6.7	177.7	44.8	0	0	0	0	114.9	L404 F408 R409 F413	L404-T411 HydrophobicContact CD2-CG2 3.42Å; L404-T411 VanDerWaalsContact CD2-CG2 3.42Å; F408-T411 PolarHBondContact O-OG1 3.45Å; R409-T411 PolarHBondContact O-N 3.45Å; T411-F413 VanDerWaalsContact C-N 3.25Å; T411-F413 PolarHBondContact O-N 3.41Å
412	G	55.8	Low	51.8	Low	70 Å²	70	102.6 Å²	102.6	72%	0.722	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.4	9.6	176.6	0	0	0	0	0	115.3	R409	R409-G412 PolarHBondContact O-N 2.87Å; R409-G412 VanDerWaalsContact O-N 3.17Å
413	F	47.3	Very low	51.4	Low	137 Å²	137	105.2 Å²	105.2	60%	0.601	64%	0.636	S	S	*	*			trans	-74.1	131	171.9	-83.1	-89.1	0	0	0	111.1	F408 T411 T415	F408-F413 HydrophobicContact CD1-CB 3.56Å; F408-F413 HydrophobicContact CD1-CG 4.15Å; F408-F413 HydrophobicContact CE1-CB 3.59Å; F408-F413 HydrophobicContact CE1-CD1 4.15Å; F408-F413 HydrophobicContact CE1-CD2 4.14Å; F408-F413 AromaticContact CE1-CG 3.7Å; F408-F413 HydrophobicContact CE1-CG 3.7Å; T411-F413 VanDerWaalsContact C-N 3.25Å; T411-F413 PolarHBondContact O-N 3.41Å; F413-T415 PolarHBondContact O-N 2.79Å
414	A	45.4	Very low	50.6	Low	102 Å²	102	107 Å²	107	84%	0.843	65%	0.646	S	S	*	*			trans	-72.3	88.2	-176	0	0	0	0	0	112.3	C416	A414-C416 PolarHBondContact O-N 2.96Å
415	T	48.8	Very low	50.1	Low	51 Å²	51	107.6 Å²	107.6	31%	0.313	66%	0.658	S	S	.	*			trans	-85.8	97	172.8	46	0	0	0	0	110.9	F408 R409 F413 S417	F408-T415 HydrophobicContact CB-CG2 4.22Å; F408-T415 HydrophobicContact CD1-CG2 4.09Å; R409-T415 WeakPolarHBondContact CG-OG1 3.31Å; R409-T415 PolarHBondContact NH1-O 3.48Å; R409-T415 VanDerWaalsContact NH1-O 3.11Å; R409-T415 PolarHBondContact NH1-OG1 2.76Å; R409-T415 PolarHBondContact NH2-O 3.29Å; R409-T415 VanDerWaalsContact NH2-O 3.1Å; R409-T415 PolarHBondContact NH2-OG1 3.1Å; F413-T415 PolarHBondContact O-N 2.79Å; T415-S417 PolarHBondContact O-N 3.35Å
416	C	36.4	Very low	50.3	Low	122 Å²	122	107.9 Å²	107.9	82%	0.824	66%	0.664	S	S	*	*			trans	-56.3	116	172.3	-62.5	0	0	0	0	110.4	A414 I418	A414-C416 PolarHBondContact O-N 2.96Å; C416-I418 PolarHBondContact O-N 3.25Å
417	S	40.2	Very low	49.9	Very low	90 Å²	90	108.1 Å²	108.1	63%	0.629	66%	0.66	S	S	*	*			trans	-87.5	106.3	169.2	-179.5	0	0	0	0	108.3	T415 K419	T415-S417 PolarHBondContact O-N 3.35Å; S417-K419 VanDerWaalsContact C-N 3.34Å; S417-K419 PolarHBondContact O-N 2.91Å
418	I	44.6	Very low	49.9	Very low	162 Å²	162	114 Å²	114	83%	0.831	69%	0.686	S	S	*	*			trans	-72.3	100.2	156.1	-65.1	175.3	0	0	0	105	C416	C416-I418 PolarHBondContact O-N 3.25Å
419	K	41.2	Very low	50.1	Low	180 Å²	180	115.9 Å²	115.9	78%	0.783	70%	0.7	S	S	*	*			trans	-93.9	125.9	165.4	-171.9	171.4	-174.3	173.1	0	106.4	S417 S421	S417-K419 VanDerWaalsContact C-N 3.34Å; S417-K419 PolarHBondContact O-N 2.91Å; K419-S421 PolarHBondContact O-N 2.93Å
420	E	48.6	Very low	50.2	Low	182 Å²	182	115.3 Å²	115.3	85%	0.85	71%	0.709	S	S	*	*			trans	-62.2	98.1	-174.2	-64.9	168.9	132.6	0	0	110.9	A422	E420-A422 VanDerWaalsContact C-N 3.34Å; E420-A422 PolarHBondContact O-N 3.15Å; E420-A422 VanDerWaalsContact O-N 3.14Å
421	S	37.3	Very low	50.5	Low	98 Å²	98	118.3 Å²	118.3	69%	0.685	72%	0.715	S	S	*	*			trans	-79.4	88.2	164.9	54.1	0	0	0	0	107.9	K419 A423	K419-S421 PolarHBondContact O-N 2.93Å; S421-A423 PolarHBondContact O-N 3.16Å
422	A	52.1	Low	50.4	Low	106 Å²	106	122.3 Å²	122.3	88%	0.876	73%	0.734	S	S	*	*	S	Bend	trans	-66.1	69.4	179.8	0	0	0	0	0	112.4	E420	E420-A422 VanDerWaalsContact C-N 3.34Å; E420-A422 PolarHBondContact O-N 3.15Å; E420-A422 VanDerWaalsContact O-N 3.14Å
423	A	52.8	Low	50.2	Low	87 Å²	87	121.8 Å²	121.8	72%	0.719	73%	0.729	S	S	*	*			trans	-154.5	42.6	174.6	0	0	0	0	0	108.3	S421 S425	S421-A423 PolarHBondContact O-N 3.16Å; A423-S425 PolarHBondContact O-N 3.22Å
424	D	45.9	Very low	50.6	Low	149 Å²	149	119.2 Å²	119.2	80%	0.797	72%	0.721	S	S	*	*			trans	-57.2	108.8	167.7	-84	-46.4	0	0	0	108.1	D426	D424-D426 VanDerWaalsContact C-N 3.34Å; D424-D426 PolarHBondContact O-N 3.45Å; D424-D426 VanDerWaalsContact O-N 3.08Å
425	S	47.8	Very low	51	Low	102 Å²	102	121.6 Å²	121.6	71%	0.713	72%	0.72	S	S	*	*			trans	-66.7	104.3	156.9	54	0	0	0	0	105.9	A423 A427	A423-S425 PolarHBondContact O-N 3.22Å; S425-A427 PolarHBondContact O-N 3.46Å
426	D	54.8	Low	51.2	Low	153 Å²	153	125 Å²	125	82%	0.818	74%	0.741	S	S	*	*			trans	-66.4	44	175.4	-146.2	30.9	0	0	0	111.3	D424 D428	D424-D426 VanDerWaalsContact C-N 3.34Å; D424-D426 PolarHBondContact O-N 3.45Å; D424-D426 VanDerWaalsContact O-N 3.08Å; D426-D428 PolarHBondContact O-N 3.26Å
427	A	55.7	Low	52.3	Low	64 Å²	64	125.3 Å²	125.3	53%	0.529	73%	0.734	S	S	.	*			trans	-89.2	87.8	171.8	0	0	0	0	0	105.9	S425 L429	S425-A427 PolarHBondContact O-N 3.46Å; A427-L429 VanDerWaalsContact C-N 3.31Å; A427-L429 PolarHBondContact O-N 3.18Å
428	D	64.3	Low	53.6	Low	145 Å²	145	128.6 Å²	128.6	78%	0.775	74%	0.739	S	S	*	*			trans	-45.7	101.1	160.3	-72.9	-46.3	0	0	0	108.3	D426 D430	D426-D428 PolarHBondContact O-N 3.26Å; D428-D430 PolarHBondContact O-N 2.96Å
429	L	60.1	Low	54.9	Low	144 Å²	144	126 Å²	126	75%	0.754	72%	0.72	S	S	*	*			trans	-77.3	104.2	166	-66.4	-180	0	0	0	104.9	A427 V431	A427-L429 VanDerWaalsContact C-N 3.31Å; A427-L429 PolarHBondContact O-N 3.18Å; L429-V431 HydrophobicContact CB-CG2 3.92Å; L429-V431 WeakPolarHBondContact O-CG2 3.36Å; L429-V431 PolarHBondContact O-N 3.39Å
430	D	60.7	Low	56.9	Low	148 Å²	148	119.6 Å²	119.6	79%	0.791	71%	0.705	S	S	*	*			trans	-60.1	82.3	166.2	-82.8	-35.9	0	0	0	109.1	D428	D428-D430 PolarHBondContact O-N 2.96Å
431	V	60.8	Low	58.6	Low	121 Å²	121	120.3 Å²	120.3	73%	0.733	71%	0.706	S	S	*	*			trans	-88.2	4.3	170.5	-170	0	0	0	0	110.5	L429 G433	L429-V431 HydrophobicContact CB-CG2 3.92Å; L429-V431 WeakPolarHBondContact O-CG2 3.36Å; L429-V431 PolarHBondContact O-N 3.39Å; V431-G433 PolarHBondContact O-N 3.41Å; V431-G433 VanDerWaalsContact O-N 3.07Å
432	D	57.8	Low	61.1	Low	155 Å²	155	118.5 Å²	118.5	83%	0.829	70%	0.696	S	S	*	*			trans	-74.2	19.2	162.8	-74.5	-3.9	0	0	0	112.6	D434	D432-D434 PolarHBondContact O-N 2.92Å
433	G	51.1	Low	63	Low	60 Å²	60	118 Å²	118	62%	0.619	68%	0.676	S	S	*	*	S	Bend	trans	-72.9	48.8	170.8	0	0	0	0	0	114.2	V431 D435	V431-G433 PolarHBondContact O-N 3.41Å; V431-G433 VanDerWaalsContact O-N 3.07Å; G433-D435 PolarHBondContact O-N 2.92Å; G433-D435 VanDerWaalsContact O-N 3.12Å
434	D	55.6	Low	64.9	Low	82 Å²	82	114.3 Å²	114.3	44%	0.439	64%	0.644	S	S	.	*			trans	14.5	73.1	171	-167.2	23.3	0	0	0	118	D432 T436 L437	D432-D434 PolarHBondContact O-N 2.92Å; D434-T436 PolarHBondContact O-N 3.38Å; D434-T436 WeakPolarHBondContact OD1-CB 3.13Å; D434-T436 PolarHBondContact OD1-N 3.49Å; D434-T436 PolarHBondContact OD1-OG1 2.75Å; D434-L437 PolarHBondContact O-N 2.96Å; D434-L437 WeakPolarHBondContact OD2-CD1 3.47Å; D434-L437 WeakPolarHBondContact OD2-CG 3.21Å
435	D	55	Low	67.2	Low	152 Å²	152	110.8 Å²	110.8	81%	0.813	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-61.8	-8.5	170.1	-88	-22.9	0	0	0	113	G433 L437	G433-D435 PolarHBondContact O-N 2.92Å; G433-D435 VanDerWaalsContact O-N 3.12Å; D435-L437 PolarHBondContact O-N 3.23Å; D435-L437 VanDerWaalsContact O-N 3.16Å
436	T	53.3	Low	69.3	Low	124 Å²	124	111.1 Å²	111.1	76%	0.761	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-67.2	-11.2	177.7	-26.9	0	0	0	0	113.2	D434	D434-T436 PolarHBondContact O-N 3.38Å; D434-T436 WeakPolarHBondContact OD1-CB 3.13Å; D434-T436 PolarHBondContact OD1-N 3.49Å; D434-T436 PolarHBondContact OD1-OG1 2.75Å
437	L	59	Low	70.9	Confident	128 Å²	128	108.1 Å²	108.1	67%	0.67	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-86.6	-25.8	-172.3	-91.7	167.7	0	0	0	116.4	D434 D435 Y439 G440	D434-L437 PolarHBondContact O-N 2.96Å; D434-L437 WeakPolarHBondContact OD2-CD1 3.47Å; D434-L437 WeakPolarHBondContact OD2-CG 3.21Å; D435-L437 PolarHBondContact O-N 3.23Å; D435-L437 VanDerWaalsContact O-N 3.16Å; L437-Y439 PolarHBondContact O-N 3.3Å; L437-G440 PolarHBondContact O-N 2.73Å
438	E	67.3	Low	72.6	Confident	158 Å²	158	108.6 Å²	108.6	74%	0.738	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-27.6	-159.1	-165.6	163.5	-136.2	0	0	115.2
439	Y	72.6	Confident	74	Confident	107 Å²	107	102.8 Å²	102.8	42%	0.42	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101	2.6	-178.4	-57.3	-68.9	0	0	0	114.8	L437 I578 W581 R612	L437-Y439 PolarHBondContact O-N 3.3Å; Y439-I578 HydrophobicContact CD1-CB 4.34Å; Y439-I578 HydrophobicContact CD1-CG2 3.78Å; Y439-I578 HydrophobicContact CD2-CD1 4.14Å; Y439-I578 HydrophobicContact CE1-CG2 4.42Å; Y439-I578 HydrophobicContact CG-CB 4.3Å; Y439-I578 HydrophobicContact CG-CD1 4.26Å; Y439-I578 HydrophobicContact CG-CG2 3.85Å; Y439-W581 AromaticContact CE1-CH2 3.8Å; Y439-W581 HydrophobicContact CE1-CH2 3.8Å; Y439-W581 AromaticContact CE1-CZ2 3.83Å; Y439-W581 HydrophobicContact CE1-CZ2 3.83Å; Y439-R612 PolarHBondContact O-NE 2.82Å
440	G	81.8	Confident	75.4	Confident	47 Å²	47	98.2 Å²	98.2	49%	0.485	55%	0.552	S	S	.	*			trans	62.5	179.2	-174.5	0	0	0	0	0	114.2	L437 R612	L437-G440 PolarHBondContact O-N 2.73Å; G440-R612 PolarHBondContact O-NH2 3.39Å
441	K	84.1	Confident	76.5	Confident	197 Å²	197	95.8 Å²	95.8	86%	0.857	55%	0.545	S	S	*	.	S	Bend	trans	-58.6	145.2	-177.1	-64.4	-174.3	178.4	-176	0	111.9	Q443	K441-Q443 PolarHBondContact O-N 3.17Å
442	A	89.8	Confident	77.1	Confident	59 Å²	59	92.7 Å²	92.7	49%	0.488	53%	0.528	S	S	.	.			trans	-53.4	126.8	171.6	0	0	0	0	0	110.5
443	Q	92.2	Very high	77.2	Confident	97 Å²	97	90.4 Å²	90.4	45%	0.453	52%	0.524	S	S	.	.	S	Bend	trans	-89.8	-10.9	179.4	-68.2	-178.7	-19.7	0	0	112.6	K441	K441-Q443 PolarHBondContact O-N 3.17Å
444	Y	93.6	Very high	77.3	Confident	9 Å²	9	89.3 Å²	89.3	4%	0.035	51%	0.513	C	S	.	.			trans	-142.5	154.7	-177.1	-61.8	-84.1	0	0	0	110.3	D448 L575 E586 L590 P608 L611 R613	Y444-D448 HydrophobicContact CD1-CB 4.11Å; Y444-L575 HydrophobicContact CD2-CD1 4.26Å; Y444-L575 HydrophobicContact CE1-CD1 4.31Å; Y444-L575 HydrophobicContact CE2-CD1 3.61Å; Y444-L575 HydrophobicContact CE2-CD2 3.87Å; Y444-L575 HydrophobicContact CE2-CG 4.37Å; Y444-L575 WeakPolarHBondContact OH-CD2 3.45Å; Y444-E586 HydrophobicContact CE1-CG 4.28Å; Y444-E586 WeakPolarHBondContact CE1-OE1 3.19Å; Y444-E586 VanDerWaalsContact CZ-OE1 3.27Å; Y444-E586 PolarHBondContact OH-OE1 3.22Å; Y444-L590 HydrophobicContact CD1-CD1 4.33Å; Y444-L590 HydrophobicContact CD1-CD2 4.11Å; Y444-L590 HydrophobicContact CE1-CD1 4.22Å; Y444-P608 WeakPolarHBondContact CB-O 3.23Å; Y444-L611 HydrophobicContact CD2-CB 3.81Å; Y444-L611 HydrophobicContact CE2-CB 4.4Å; Y444-R613 HydrophobicContact CE2-CG 4.35Å; Y444-R613 PolarHBondContact OH-NE 2.72Å; Y444-R613 PolarHBondContact OH-NH2 3.08Å; Y444-R613 VanDerWaalsContact OH-NH2 3.08Å
445	T	93.4	Very high	77	Confident	74 Å²	74	90.1 Å²	90.1	45%	0.454	53%	0.531	S	S	.	.			trans	-133	172.4	-176.8	71.6	0	0	0	0	110.4	A447 D448 P608	T445-A447 PolarHBondContact O-N 3.09Å; T445-A447 VanDerWaalsContact O-N 3.14Å; T445-A447 PolarHBondContact OG1-N 2.86Å; T445-D448 WeakPolarHBondContact CA-OD2 3.44Å; T445-D448 WeakPolarHBondContact CB-OD2 3.45Å; T445-D448 PolarHBondContact N-OD2 3.35Å; T445-D448 PolarHBondContact O-N 2.83Å; T445-D448 VanDerWaalsContact O-N 3.14Å; T445-D448 PolarHBondContact OG1-OD2 3.22Å; T445-P608 VanDerWaalsContact O-CB 3.31Å; T445-P608 WeakPolarHBondContact O-CB 3.42Å; T445-P608 WeakPolarHBondContact O-CG 3.45Å
446	E	91.7	Very high	76.7	Confident	109 Å²	109	85.4 Å²	85.4	51%	0.509	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.1	172.4	-68	-68.1	141.3	0	0	113.4	I449 K597 P608	E446-I449 VanDerWaalsContact OE2-CD1 3.26Å; E446-I449 WeakPolarHBondContact OE2-CD1 3.33Å; E446-K597 IonicContact OE1-NZ 2.98Å; E446-K597 IonicContact OE2-NZ 3.24Å; E446-K597 PolarHBondContact OE2-NZ 3.13Å; E446-P608 WeakPolarHBondContact OE1-CD 3.41Å
447	A	89.3	Confident	76.4	Confident	91 Å²	91	85.3 Å²	85.3	75%	0.752	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-20.9	176.2	0	0	0	0	0	113.8	T445 I449	T445-A447 PolarHBondContact O-N 3.09Å; T445-A447 VanDerWaalsContact O-N 3.14Å; T445-A447 PolarHBondContact OG1-N 2.86Å; A447-I449 VanDerWaalsContact C-N 3.26Å
448	D	91.1	Very high	75.8	Confident	74 Å²	74	84.2 Å²	84.2	40%	0.396	50%	0.504	S	S	.	.	S	Bend	trans	-83	-7.5	179	-54.9	-75.3	0	0	0	112.4	Y444 T445 I450 L590	Y444-D448 HydrophobicContact CD1-CB 4.11Å; T445-D448 WeakPolarHBondContact CA-OD2 3.44Å; T445-D448 WeakPolarHBondContact CB-OD2 3.45Å; T445-D448 PolarHBondContact N-OD2 3.35Å; T445-D448 PolarHBondContact O-N 2.83Å; T445-D448 VanDerWaalsContact O-N 3.14Å; T445-D448 PolarHBondContact OG1-OD2 3.22Å; D448-I450 PolarHBondContact O-N 2.91Å; D448-L590 HydrophobicContact CB-CD2 4.32Å
449	I	93.1	Very high	75	Confident	22 Å²	22	84.8 Å²	84.8	11%	0.113	51%	0.507	C	S	.	.			trans	-64.1	129.8	177.5	-68.6	-174.8	0	0	0	110.3	E446 A447 P451 L593 P608	E446-I449 VanDerWaalsContact OE2-CD1 3.26Å; E446-I449 WeakPolarHBondContact OE2-CD1 3.33Å; A447-I449 VanDerWaalsContact C-N 3.26Å; I449-P451 VanDerWaalsContact O-CD 3.23Å; I449-P451 WeakPolarHBondContact O-CD 3.32Å; I449-L593 HydrophobicContact CD1-CB 4.36Å; I449-P608 HydrophobicContact CD1-CG 3.53Å; I449-P608 HydrophobicContact CG1-CG 3.55Å
450	I	90	Very high	74	Confident	48 Å²	48	81.7 Å²	81.7	25%	0.246	51%	0.507	C	S	.	.			trans	-83.7	110.3	174.1	-60.7	167.8	0	0	0	107.8	D448 E587 L590 R591	D448-I450 PolarHBondContact O-N 2.91Å; I450-E587 HydrophobicContact CD1-CB 4.33Å; I450-E587 HydrophobicContact CD1-CG 4.11Å; I450-L590 HydrophobicContact CD1-CB 4.06Å; I450-L590 HydrophobicContact CG1-CB 4.08Å; I450-L590 PolarHBondContact N-O 3.11Å; I450-R591 HydrophobicContact CB-CG 3.86Å; I450-R591 HydrophobicContact CD1-CG 3.91Å; I450-R591 HydrophobicContact CG1-CG 4.49Å; I450-R591 HydrophobicContact CG2-CG 3.8Å
451	P	84.4	Confident	72.8	Confident	97 Å²	97	84 Å²	84	63%	0.63	51%	0.506	S	S	*	.			trans	-68	146.8	179.5	-16.2	32.3	0	0	0	110.6	I449 S453	I449-P451 VanDerWaalsContact O-CD 3.23Å; I449-P451 WeakPolarHBondContact O-CD 3.32Å; P451-S453 PolarHBondContact O-N 3.36Å
452	C	73.5	Confident	71.6	Confident	57 Å²	57	76.8 Å²	76.8	39%	0.385	48%	0.483	S	S	.	.			trans	-70	112	170.7	-62	0	0	0	0	109.8	G454 A455	C452-G454 PolarHBondContact O-N 3.49Å; C452-A455 PolarHBondContact O-N 2.97Å; C452-A455 VanDerWaalsContact O-N 3.07Å
453	S	60.2	Low	70.4	Confident	106 Å²	106	83.3 Å²	83.3	74%	0.741	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-55.1	-25.4	-175.1	-49.3	0	0	0	0	114.7	P451 A455 G456	P451-S453 PolarHBondContact O-N 3.36Å; S453-A455 PolarHBondContact O-N 2.92Å; S453-G456 PolarHBondContact O-N 3.11Å; S453-G456 VanDerWaalsContact O-N 3.09Å
454	G	52.8	Low	69.1	Low	38 Å²	38	84.8 Å²	84.8	39%	0.392	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-60.4	-12.1	175.6	0	0	0	0	0	115.4	C452 G456 E457	C452-G454 PolarHBondContact O-N 3.49Å; G454-G456 PolarHBondContact O-N 2.98Å; G454-G456 VanDerWaalsContact O-N 3.17Å; G454-E457 VanDerWaalsContact CA-OE2 3.31Å; G454-E457 WeakPolarHBondContact CA-OE2 3.28Å; G454-E457 PolarHBondContact O-N 3.1Å
455	A	48.7	Very low	67.9	Low	99 Å²	99	90 Å²	90	82%	0.818	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-62.3	-16.5	169.7	0	0	0	0	0	113.7	C452 S453	C452-A455 PolarHBondContact O-N 2.97Å; C452-A455 VanDerWaalsContact O-N 3.07Å; S453-A455 PolarHBondContact O-N 2.92Å
456	G	49	Very low	66.6	Low	53 Å²	53	93.2 Å²	93.2	55%	0.546	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-95.2	-18.2	168.7	0	0	0	0	0	114.6	S453 G454	S453-G456 PolarHBondContact O-N 3.11Å; S453-G456 VanDerWaalsContact O-N 3.09Å; G454-G456 PolarHBondContact O-N 2.98Å; G454-G456 VanDerWaalsContact O-N 3.17Å
457	E	46.2	Very low	65.6	Low	122 Å²	122	91.1 Å²	91.1	57%	0.57	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.9	-172.5	-73.3	178.6	109.1	0	0	113.3	G454 Q459 G460 E461	G454-E457 VanDerWaalsContact CA-OE2 3.31Å; G454-E457 WeakPolarHBondContact CA-OE2 3.28Å; G454-E457 PolarHBondContact O-N 3.1Å; E457-Q459 PolarHBondContact O-N 2.7Å; E457-Q459 VanDerWaalsContact O-N 3.17Å; E457-G460 CarbonylContact O-C 3.51Å; E457-G460 WeakPolarHBondContact O-CA 3.43Å; E457-G460 PolarHBondContact O-N 3.08Å; E457-E461 PolarHBondContact O-N 2.96Å
458	D	48	Very low	64.3	Low	105 Å²	105	91.9 Å²	91.9	56%	0.561	52%	0.523	S	S	*	.	H	α-helix	trans	-60.7	-27.5	176.6	-165.7	31.5	0	0	0	112.5	A462 R465	D458-A462 WeakPolarHBondContact O-CB 3.28Å; D458-A462 PolarHBondContact O-N 2.58Å; D458-R465 IonicContact OD1-NH1 2.65Å
459	Q	49.4	Very low	63.2	Low	169 Å²	169	97 Å²	97	79%	0.79	54%	0.537	S	S	*	.	H	α-helix	trans	-72.6	-30	169.7	-67	-169.1	11.9	0	0	113.3	E457 R463	E457-Q459 PolarHBondContact O-N 2.7Å; E457-Q459 VanDerWaalsContact O-N 3.17Å; Q459-R463 WeakPolarHBondContact O-CB 3.42Å; Q459-R463 PolarHBondContact O-N 2.61Å
460	G	52.1	Low	61.6	Low	42 Å²	42	97.8 Å²	97.8	43%	0.433	55%	0.551	S	S	.	*	H	α-helix	trans	-74.4	-52	174	0	0	0	0	0	111.2	E457 R463 E464	E457-G460 CarbonylContact O-C 3.51Å; E457-G460 WeakPolarHBondContact O-CA 3.43Å; E457-G460 PolarHBondContact O-N 3.08Å; G460-R463 WeakPolarHBondContact O-CB 3.35Å; G460-R463 PolarHBondContact O-N 2.92Å; G460-E464 PolarHBondContact O-N 3.23Å
461	E	57.1	Low	60.1	Low	97 Å²	97	98.8 Å²	98.8	45%	0.453	57%	0.567	S	S	.	*	H	α-helix	trans	-61	-44.6	177.2	-70.8	-165.2	-179	0	0	112.1	E457 R463 E464 R465	E457-E461 PolarHBondContact O-N 2.96Å; E461-R463 VanDerWaalsContact C-N 3.27Å; E461-R463 PolarHBondContact O-N 3.09Å; E461-E464 PolarHBondContact O-N 3.38Å; E461-R465 WeakPolarHBondContact O-CB 3.41Å; E461-R465 PolarHBondContact O-N 2.86Å; E461-R465 IonicContact OE2-CZ 3.44Å; E461-R465 IonicContact OE2-NH1 2.71Å; E461-R465 IonicContact OE2-NH2 3.83Å; E461-R465 PolarHBondContact OE2-NH2 2.63Å
462	A	58.8	Low	58.9	Low	45 Å²	45	100.2 Å²	100.2	37%	0.372	57%	0.573	S	S	.	*	H	α-helix	trans	-60.6	-39.4	176.3	0	0	0	0	0	111.5	D458 R465 E466	D458-A462 WeakPolarHBondContact O-CB 3.28Å; D458-A462 PolarHBondContact O-N 2.58Å; A462-R465 PolarHBondContact O-N 2.77Å; A462-E466 VanDerWaalsContact O-CB 3.26Å; A462-E466 WeakPolarHBondContact O-CB 3.41Å; A462-E466 PolarHBondContact O-N 2.75Å
463	R	64.3	Low	58	Low	195 Å²	195	104.3 Å²	104.3	74%	0.736	59%	0.59	S	S	*	*	H	α-helix	trans	-69.3	-36.8	178.1	-169.5	178.5	-159.8	-122.1	4.2	112.8	Q459 G460 E461 A467	Q459-R463 WeakPolarHBondContact O-CB 3.42Å; Q459-R463 PolarHBondContact O-N 2.61Å; G460-R463 WeakPolarHBondContact O-CB 3.35Å; G460-R463 PolarHBondContact O-N 2.92Å; E461-R463 VanDerWaalsContact C-N 3.27Å; E461-R463 PolarHBondContact O-N 3.09Å; R463-A467 WeakPolarHBondContact O-CB 3.32Å; R463-A467 PolarHBondContact O-N 2.87Å
464	E	63.7	Low	57.5	Low	128 Å²	128	106.1 Å²	106.1	60%	0.598	59%	0.592	S	S	*	*	H	α-helix	trans	-70.2	-43.9	172.2	-175.8	172.3	-167.4	0	0	111.4	G460 E461 E466 A467 L468	G460-E464 PolarHBondContact O-N 3.23Å; E461-E464 PolarHBondContact O-N 3.38Å; E464-E466 PolarHBondContact O-N 3.35Å; E464-A467 PolarHBondContact O-N 3.21Å; E464-A467 VanDerWaalsContact O-N 3.13Å; E464-L468 HydrophobicContact CG-CD1 4.19Å; E464-L468 WeakPolarHBondContact O-CB 3.35Å; E464-L468 VanDerWaalsContact O-CG 3.3Å; E464-L468 WeakPolarHBondContact O-CG 3.24Å; E464-L468 PolarHBondContact O-N 3.44Å
465	R	68.3	Low	57	Low	118 Å²	118	108.4 Å²	108.4	45%	0.445	62%	0.616	S	S	.	*	H	α-helix	trans	-63.5	-28.5	176.2	-166.4	179.9	-66	134.6	-3.6	112	D458 E461 A462 R469	D458-R465 IonicContact OD1-NH1 2.65Å; E461-R465 WeakPolarHBondContact O-CB 3.41Å; E461-R465 PolarHBondContact O-N 2.86Å; E461-R465 IonicContact OE2-CZ 3.44Å; E461-R465 IonicContact OE2-NH1 2.71Å; E461-R465 IonicContact OE2-NH2 3.83Å; E461-R465 PolarHBondContact OE2-NH2 2.63Å; A462-R465 PolarHBondContact O-N 2.77Å; R465-R469 VanDerWaalsContact O-CG 3.28Å; R465-R469 WeakPolarHBondContact O-CG 3.46Å; R465-R469 PolarHBondContact O-N 2.93Å
466	E	67	Low	56.4	Low	143 Å²	143	106.8 Å²	106.8	67%	0.668	61%	0.608	S	S	*	*	H	α-helix	trans	-80	-40.7	169.9	-173.1	165	-139	0	0	112.4	A462 E464 L468 R469 G470	A462-E466 VanDerWaalsContact O-CB 3.26Å; A462-E466 WeakPolarHBondContact O-CB 3.41Å; A462-E466 PolarHBondContact O-N 2.75Å; E464-E466 PolarHBondContact O-N 3.35Å; E466-L468 VanDerWaalsContact C-N 3.33Å; E466-L468 PolarHBondContact O-N 2.94Å; E466-R469 WeakPolarHBondContact O-CB 3.3Å; E466-R469 PolarHBondContact O-N 3.33Å; E466-R469 VanDerWaalsContact O-N 3.13Å; E466-G470 PolarHBondContact O-N 2.84Å
467	A	69.8	Low	56.1	Low	65 Å²	65	112.7 Å²	112.7	54%	0.537	62%	0.624	S	S	.	*	H	α-helix	trans	-60.9	-40.3	173.3	0	0	0	0	0	112.3	R463 E464 G470 A471	R463-A467 WeakPolarHBondContact O-CB 3.32Å; R463-A467 PolarHBondContact O-N 2.87Å; E464-A467 PolarHBondContact O-N 3.21Å; E464-A467 VanDerWaalsContact O-N 3.13Å; A467-G470 PolarHBondContact O-N 3.28Å; A467-A471 PolarHBondContact O-N 3.47Å
468	L	63.4	Low	56	Low	106 Å²	106	112.6 Å²	112.6	56%	0.555	63%	0.634	S	S	*	*	H	α-helix	trans	-64.2	-38.1	173.2	-71.7	169	0	0	0	111.9	E464 E466 A471 V472	E464-L468 HydrophobicContact CG-CD1 4.19Å; E464-L468 WeakPolarHBondContact O-CB 3.35Å; E464-L468 VanDerWaalsContact O-CG 3.3Å; E464-L468 WeakPolarHBondContact O-CG 3.24Å; E464-L468 PolarHBondContact O-N 3.44Å; E466-L468 VanDerWaalsContact C-N 3.33Å; E466-L468 PolarHBondContact O-N 2.94Å; L468-A471 PolarHBondContact O-N 3.48Å; L468-V472 WeakPolarHBondContact O-CG2 3.4Å; L468-V472 PolarHBondContact O-N 3.11Å; L468-V472 VanDerWaalsContact O-N 3.16Å
469	R	66.7	Low	55.6	Low	181 Å²	181	112.5 Å²	112.5	68%	0.683	64%	0.641	S	S	*	*	H	α-helix	trans	-65	-38.5	171.5	-75.1	170.8	-178.5	-82.1	1.1	112	R465 E466	R465-R469 VanDerWaalsContact O-CG 3.28Å; R465-R469 WeakPolarHBondContact O-CG 3.46Å; R465-R469 PolarHBondContact O-N 2.93Å; E466-R469 WeakPolarHBondContact O-CB 3.3Å; E466-R469 PolarHBondContact O-N 3.33Å; E466-R469 VanDerWaalsContact O-N 3.13Å
470	G	59.6	Low	54.9	Low	40 Å²	40	112 Å²	112	41%	0.412	64%	0.644	S	S	.	*	H	α-helix	trans	-63.3	-43.4	173	0	0	0	0	0	112.9	E466 A467 V472 L473 N474	E466-G470 PolarHBondContact O-N 2.84Å; A467-G470 PolarHBondContact O-N 3.28Å; G470-V472 VanDerWaalsContact C-N 3.33Å; G470-V472 PolarHBondContact O-N 3.29Å; G470-L473 PolarHBondContact O-N 2.91Å; G470-N474 PolarHBondContact O-N 3.15Å
471	A	59.5	Low	54.4	Low	69 Å²	69	121 Å²	121	57%	0.57	67%	0.665	S	S	*	*	H	α-helix	trans	-63.5	-34.7	178.6	0	0	0	0	0	113.2	A467 L468 L473	A467-A471 PolarHBondContact O-N 3.47Å; L468-A471 PolarHBondContact O-N 3.48Å; A471-L473 VanDerWaalsContact C-N 3.3Å; A471-L473 PolarHBondContact O-N 2.94Å
472	V	58.1	Low	53.5	Low	126 Å²	126	124 Å²	124	76%	0.764	68%	0.682	S	S	*	*	H	α-helix	trans	-71.2	-22.5	177.4	170.4	0	0	0	0	112.8	L468 G470	L468-V472 WeakPolarHBondContact O-CG2 3.4Å; L468-V472 PolarHBondContact O-N 3.11Å; L468-V472 VanDerWaalsContact O-N 3.16Å; G470-V472 VanDerWaalsContact C-N 3.33Å; G470-V472 PolarHBondContact O-N 3.29Å
473	L	55.3	Low	52	Low	144 Å²	144	127.4 Å²	127.4	75%	0.754	70%	0.699	S	S	*	*	H	α-helix	trans	-91.6	-26.9	-179.5	-66.1	174.7	0	0	0	113.8	G470 A471 G475	G470-L473 PolarHBondContact O-N 2.91Å; A471-L473 VanDerWaalsContact C-N 3.3Å; A471-L473 PolarHBondContact O-N 2.94Å; L473-G475 PolarHBondContact O-N 2.81Å
474	N	49.3	Very low	50.6	Low	143 Å²	143	124.5 Å²	124.5	77%	0.765	71%	0.705	S	S	*	*	S	Bend	trans	-95.2	82.8	175.7	-98.2	18.5	0	0	0	111.5	G470 G476	G470-N474 PolarHBondContact O-N 3.15Å; N474-G476 PolarHBondContact O-N 3.32Å; N474-G476 VanDerWaalsContact O-N 3.12Å
475	G	42.9	Very low	49.1	Very low	87 Å²	87	125.9 Å²	125.9	90%	0.897	71%	0.711	S	S	*	*			trans	-62.3	109.9	177.7	0	0	0	0	0	113.4	L473	L473-G475 PolarHBondContact O-N 2.81Å
476	G	35.4	Very low	47.1	Very low	64 Å²	64	128.9 Å²	128.9	66%	0.66	73%	0.728	S	S	*	*			trans	-160.7	98.2	176.8	0	0	0	0	0	112.4	N474 P478	N474-G476 PolarHBondContact O-N 3.32Å; N474-G476 VanDerWaalsContact O-N 3.12Å; G476-P478 VanDerWaalsContact O-CD 3.31Å; G476-P478 WeakPolarHBondContact O-CD 3.47Å
477	M	42.5	Very low	45.3	Very low	177 Å²	177	126.3 Å²	126.3	87%	0.872	73%	0.726	S	S	*	*			trans	-74.4	132.7	175.1	179.4	79.3	76.6	0	0	111
478	P	45.1	Very low	43.5	Very low	121 Å²	121	131.7 Å²	131.7	79%	0.786	74%	0.737	S	S	*	*			trans	-125.9	123.9	140	34.9	-26.2	0	0	0	111.5	G476	G476-P478 VanDerWaalsContact O-CD 3.31Å; G476-P478 WeakPolarHBondContact O-CD 3.47Å
479	S	40.1	Very low	41.9	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	75%	0.754	S	S	*	*			trans	-85.8	129.6	164.2	176.9	0	0	0	0	109.3
480	N	33.7	Very low	40	Very low	158 Å²	158	133.3 Å²	133.3	85%	0.845	75%	0.753	S	S	*	*			trans	-157.4	147.3	151.9	-115.3	-31.7	0	0	0	112.6
481	R	42.4	Very low	38.6	Very low	231 Å²	231	139 Å²	139	87%	0.872	77%	0.774	S	S	*	*			trans	-90.5	134.4	177.7	-62.5	168.8	172.9	161.3	-5.9	110.5
482	I	37.2	Very low	37.2	Very low	161 Å²	161	143.8 Å²	143.8	83%	0.826	79%	0.79	S	S	*	*			trans	-136.4	154.9	147.3	-79.1	102.4	0	0	0	108.2
483	T	27.6	Very low	36	Very low	116 Å²	116	146.5 Å²	146.5	71%	0.712	80%	0.795	S	S	*	*			trans	-76	146.8	-169.7	44.9	0	0	0	0	115
484	P	35.7	Very low	34.9	Very low	134 Å²	134	148.2 Å²	148.2	87%	0.87	80%	0.801	S	S	*	*			trans	-86.5	126	156.1	33.8	-28.4	0	0	0	110.6
485	E	31.2	Very low	34.6	Very low	157 Å²	157	146.3 Å²	146.3	73%	0.734	80%	0.797	S	S	*	*			trans	-137.4	132.4	168.3	-163.8	-171.3	-163.6	0	0	108.7
486	F	25.9	Very low	33.8	Very low	181 Å²	181	147.3 Å²	147.3	79%	0.794	79%	0.79	S	S	*	*			trans	36.9	147.2	162.8	93.1	-56	0	0	0	121.3
487	S	30.4	Very low	33.6	Very low	89 Å²	89	150.8 Å²	150.8	62%	0.622	80%	0.798	S	S	*	*			cis	-165.3	160.1	9.9	-151.1	0	0	0	0	112.2
488	K	30.7	Very low	33.2	Very low	179 Å²	179	148.1 Å²	148.1	78%	0.778	80%	0.797	S	S	*	*			trans	61.6	145.9	160.6	-73.9	172.2	175.9	174.6	0	118
489	W	30.5	Very low	32.6	Very low	240 Å²	240	150.8 Å²	150.8	91%	0.909	81%	0.805	S	S	*	*			cis	-111.8	152.5	0.3	-76.7	-72.6	0	0	0	112.3
490	A	28	Very low	32.2	Very low	81 Å²	81	149.8 Å²	149.8	67%	0.669	81%	0.811	S	S	*	*			trans	-118.9	144.4	164.3	0	0	0	0	0	108.7
491	N	28.4	Very low	32.1	Very low	159 Å²	159	151.2 Å²	151.2	85%	0.85	81%	0.813	S	S	*	*				175.1	93.5	127.6	-87.8	-32.2	0	0	0	110
492	D	30.7	Very low	31.6	Very low	169 Å²	169	145 Å²	145	90%	0.904	81%	0.805	S	S	*	*			trans	-99.4	131.7	144.1	-84.5	-66.3	0	0	0	106.5
493	E	33.8	Very low	31.3	Very low	184 Å²	184	141.5 Å²	141.5	86%	0.86	79%	0.794	S	S	*	*			trans	-147	124.4	154.6	-154.7	-179.5	120	0	0	111.2
494	M	32.3	Very low	31.5	Very low	179 Å²	179	145.1 Å²	145.1	88%	0.882	80%	0.8	S	S	*	*			trans	-122	116	175.2	-172.9	147.8	61.4	0	0	107.6
495	P	41.2	Very low	31.2	Very low	104 Å²	104	144.1 Å²	144.1	68%	0.675	79%	0.792	S	S	*	*			trans	-84.5	140.5	-164.3	30.9	-35.7	0	0	0	113.3
496	S	26.4	Very low	31.1	Very low	108 Å²	108	143.7 Å²	143.7	76%	0.755	79%	0.794	S	S	*	*			trans	-154.2	109.7	164.9	-78.8	0	0	0	0	113.2
497	T	31.2	Very low	32.1	Very low	136 Å²	136	140.3 Å²	140.3	83%	0.834	79%	0.79	S	S	*	*			trans	41.7	121.4	145.4	60.7	0	0	0	0	121.4
498	S	35.3	Very low	32	Very low	121 Å²	121	141.9 Å²	141.9	85%	0.846	80%	0.802	S	S	*	*			trans	-163.9	158.5	131.8	39.1	0	0	0	0	111.9
499	N	32	Very low	32.1	Very low	177 Å²	177	140 Å²	140	95%	0.947	81%	0.805	S	S	*	*			trans	-91.7	156.8	-177.7	-80.1	4.7	0	0	0	113
500	G	31	Very low	32.8	Very low	82 Å²	82	133.7 Å²	133.7	85%	0.845	80%	0.795	S	S	*	*			trans	-147.8	152.9	163.4	0	0	0	0	0	110.5
501	E	31.7	Very low	32.8	Very low	188 Å²	188	135.1 Å²	135.1	88%	0.879	80%	0.8	S	S	*	*			trans	-133.9	163.7	-161.2	-166.6	-179.1	67.3	0	0	113.6
502	S	32.4	Very low	32.9	Very low	101 Å²	101	133.4 Å²	133.4	71%	0.706	80%	0.801	S	S	*	*			trans	78.8	151.7	165.3	-65.3	0	0	0	0	118.9
503	S	31.8	Very low	33	Very low	87 Å²	87	130.6 Å²	130.6	61%	0.608	80%	0.795	S	S	*	*			cis	-172.7	160.9	-25.6	63.6	0	0	0	0	111.2
504	K	30.6	Very low	32.8	Very low	192 Å²	192	127.3 Å²	127.3	84%	0.835	79%	0.792	S	S	*	*			trans	72.8	147	164.3	-58.2	176.7	-178.3	176.2	0	118
505	T	30.6	Very low	32.8	Very low	113 Å²	113	124.5 Å²	124.5	69%	0.693	79%	0.79	S	S	*	*			cis	-162.5	134.2	-13.2	21.3	0	0	0	0	110.9
506	D	28.1	Very low	32.4	Very low	148 Å²	148	125.4 Å²	125.4	79%	0.791	80%	0.798	S	S	*	*			trans	27.4	164.8	132.3	-70.3	-59.4	0	0	0	124.8
507	P	47.4	Very low	32.7	Very low	109 Å²	109	126 Å²	126	71%	0.708	80%	0.802	S	S	*	*			cis	-136.5	163.8	-15	32.9	-14	0	0	0	116.4
508	S	28	Very low	32.8	Very low	123 Å²	123	125 Å²	125	86%	0.86	80%	0.801	S	S	*	*			trans	177.7	140.4	132.2	-79.6	0	0	0	0	112.6
509	T	33.2	Very low	32.6	Very low	139 Å²	139	127.4 Å²	127.4	85%	0.853	81%	0.805	S	S	*	*			trans	-117.8	179.9	-168.5	15.1	0	0	0	0	112.6
510	P	46	Very low	32.7	Very low	108 Å²	108	123.1 Å²	123.1	70%	0.701	79%	0.794	S	S	*	*			cis	-133.3	171.9	-17.8	36.2	-20.2	0	0	0	114.6
511	S	27.3	Very low	33.5	Very low	111 Å²	111	124.7 Å²	124.7	78%	0.776	79%	0.789	S	S	*	*				177.9	143.2	125	-80.1	0	0	0	0	114.3
512	S	30.9	Very low	33.7	Very low	122 Å²	122	126.7 Å²	126.7	85%	0.853	79%	0.789	S	S	*	*			trans	63.4	116.8	159.1	-56.8	0	0	0	0	120.6
513	S	31.3	Very low	34	Very low	111 Å²	111	127.2 Å²	127.2	78%	0.776	79%	0.787	S	S	*	*			trans	-75.2	172	167.4	60	0	0	0	0	111.6
514	S	29.9	Very low	34.3	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	80%	0.797	S	S	*	*			cis	-155.8	166.2	36.1	-44.4	0	0	0	0	113.6
515	S	32.9	Very low	34.4	Very low	119 Å²	119	129.6 Å²	129.6	83%	0.832	80%	0.801	S	S	*	*			trans	-108.1	161.4	-167.6	54.7	0	0	0	0	115.6
516	S	32.9	Very low	35.1	Very low	123 Å²	123	132.4 Å²	132.4	86%	0.86	81%	0.811	S	S	*	*			trans	-73.6	164.1	-177.4	-48.3	0	0	0	0	115.9
517	S	32.5	Very low	35.8	Very low	120 Å²	120	130.3 Å²	130.3	84%	0.839	81%	0.808	S	S	*	*			trans	-78.3	148.4	-175	-39.6	0	0	0	0	115.6
518	S	32.5	Very low	35.4	Very low	116 Å²	116	132.4 Å²	132.4	81%	0.811	81%	0.809	S	S	*	*				-170.2	138.8	129.4	49.7	0	0	0	0	111.1
519	N	30.6	Very low	36.4	Very low	172 Å²	172	134.7 Å²	134.7	92%	0.92	81%	0.81	S	S	*	*			trans	-169.7	142.3	166	-122.3	-36.7	0	0	0	112.4
520	A	34.5	Very low	37.3	Very low	87 Å²	87	135.6 Å²	135.6	72%	0.719	80%	0.804	S	S	*	*			trans	-158.5	150.5	168.8	0	0	0	0	0	109.7
521	P	48.4	Very low	37.5	Very low	114 Å²	114	139.6 Å²	139.6	74%	0.74	81%	0.811	S	S	*	*				-128.7	155.2	-68.7	33.6	-20	0	0	0	113.8
522	R	36.3	Very low	38.5	Very low	231 Å²	231	139.2 Å²	139.2	87%	0.872	80%	0.803	S	S	*	*			trans	-131.9	90.9	169.9	-78.5	-79.7	103.5	165.2	3.5	111
523	T	38.8	Very low	39.9	Very low	111 Å²	111	136.3 Å²	136.3	68%	0.681	78%	0.78	S	S	*	*			trans	50.7	113.9	147.5	54.4	0	0	0	0	120.5
524	C	37	Very low	41.4	Very low	121 Å²	121	138.9 Å²	138.9	82%	0.818	78%	0.78	S	S	*	*			trans	70.8	95	134.4	-55.8	0	0	0	0	119.7
525	K	34.2	Very low	42.8	Very low	209 Å²	209	140.4 Å²	140.4	91%	0.909	78%	0.775	S	S	*	*			trans	-140.8	130.1	132.2	-102.4	173.9	-178.4	175.8	0	108.7
526	N	43.7	Very low	44.5	Very low	171 Å²	171	140.2 Å²	140.2	91%	0.914	76%	0.76	S	S	*	*			trans	-85	123.7	171.5	-66.7	-9.7	0	0	0	108.6
527	S	42.7	Very low	46.6	Very low	104 Å²	104	137.2 Å²	137.2	73%	0.727	74%	0.74	S	S	*	*			trans	-153.5	148	161.5	-147.3	0	0	0	0	107.8
528	E	39.1	Very low	48.8	Very low	153 Å²	153	135 Å²	135	72%	0.715	72%	0.721	S	S	*	*			trans	36.5	97.5	175.4	-100.1	60	-146.4	0	0	117.2	E530	E528-E530 HydrophobicContact CB-CG 4.31Å; E528-E530 HydrophobicContact CG-CG 4.22Å; E528-E530 PolarHBondContact O-N 2.89Å; E528-E530 VanDerWaalsContact O-N 3.08Å
529	I	49	Very low	51.2	Low	172 Å²	172	131.8 Å²	131.8	88%	0.882	70%	0.701	S	S	*	*			trans	-77.2	80.8	147.9	-58.9	173.2	0	0	0	106.3
530	E	52	Low	54	Low	158 Å²	158	127.9 Å²	127.9	74%	0.738	68%	0.684	S	S	*	*			trans	-61.8	139.1	157.3	-74.1	-161.5	125.1	0	0	108.4	E528 V532	E528-E530 HydrophobicContact CB-CG 4.31Å; E528-E530 HydrophobicContact CG-CG 4.22Å; E528-E530 PolarHBondContact O-N 2.89Å; E528-E530 VanDerWaalsContact O-N 3.08Å; E530-V532 VanDerWaalsContact C-N 3.26Å; E530-V532 PolarHBondContact O-N 3.35Å
531	K	49.9	Very low	56.7	Low	192 Å²	192	127.5 Å²	127.5	84%	0.835	67%	0.673	S	S	*	*			trans	-74.9	82.3	176.7	-68.5	-179.1	178.3	-178.9	0	109.3	T533	K531-T533 PolarHBondContact O-N 2.9Å
532	V	49.8	Very low	58.8	Low	102 Å²	102	127 Å²	127	62%	0.618	66%	0.662	S	S	*	*			trans	-51.8	112.4	155.6	-174.8	0	0	0	0	105.5	E530 E536	E530-V532 VanDerWaalsContact C-N 3.26Å; E530-V532 PolarHBondContact O-N 3.35Å; V532-E536 HydrophobicContact CG1-CB 4.43Å
533	T	60.4	Low	61.5	Low	61 Å²	61	122.2 Å²	122.2	37%	0.374	65%	0.65	S	S	.	*			trans	-68.3	147.7	-169.6	54.4	0	0	0	0	109.6	K531 E535 E536 S537	K531-T533 PolarHBondContact O-N 2.9Å; T533-E535 PolarHBondContact O-N 3.3Å; T533-E535 VanDerWaalsContact O-N 3.13Å; T533-E536 PolarHBondContact O-N 2.75Å; T533-E536 PolarHBondContact OG1-N 3.42Å; T533-S537 PolarHBondContact O-N 2.91Å
534	E	61.3	Low	64.2	Low	165 Å²	165	119.9 Å²	119.9	77%	0.771	64%	0.641	S	S	*	*	H	α-helix	trans	-56.8	-29.2	171.8	-62.9	179.2	168	0	0	109.8	S537 T538	E534-S537 PolarHBondContact O-OG 3.35Å; E534-S537 VanDerWaalsContact O-OG 3.09Å; E534-T538 VanDerWaalsContact O-CB 3.29Å; E534-T538 WeakPolarHBondContact O-CB 3.44Å; E534-T538 VanDerWaalsContact O-CG2 3.24Å; E534-T538 WeakPolarHBondContact O-CG2 3.25Å; E534-T538 PolarHBondContact O-N 2.91Å; E534-T538 PolarHBondContact O-OG1 3.14Å
535	E	60.9	Low	67	Low	148 Å²	148	119.4 Å²	119.4	69%	0.692	63%	0.63	S	S	*	*	H	α-helix	trans	-59.6	-42.3	170.1	-55.9	172.2	160.7	0	0	113.8	T533 T538 A539	T533-E535 PolarHBondContact O-N 3.3Å; T533-E535 VanDerWaalsContact O-N 3.13Å; E535-T538 VanDerWaalsContact CA-OG1 3.32Å; E535-T538 WeakPolarHBondContact CA-OG1 3.43Å; E535-T538 PolarHBondContact O-OG1 2.97Å; E535-T538 VanDerWaalsContact O-OG1 3.13Å; E535-A539 WeakPolarHBondContact O-CB 3.49Å; E535-A539 PolarHBondContact O-N 3.25Å
536	E	68.5	Low	69.9	Low	114 Å²	114	115 Å²	115	53%	0.533	61%	0.611	S	S	.	*	H	α-helix	trans	-74.3	-39.6	179.5	-173.5	172.4	-155	0	0	112.2	V532 T533 A539 T540	V532-E536 HydrophobicContact CG1-CB 4.43Å; T533-E536 PolarHBondContact O-N 2.75Å; T533-E536 PolarHBondContact OG1-N 3.42Å; E536-A539 PolarHBondContact O-N 3.45Å; E536-T540 WeakPolarHBondContact O-CB 3.49Å; E536-T540 PolarHBondContact O-N 3.31Å; E536-T540 PolarHBondContact O-OG1 3.11Å
537	S	75.6	Confident	72.3	Confident	61 Å²	61	108.9 Å²	108.9	43%	0.427	58%	0.584	S	S	.	*	H	α-helix	trans	-69.3	-36	174.4	63.8	0	0	0	0	112.4	T533 E534 T541	T533-S537 PolarHBondContact O-N 2.91Å; E534-S537 PolarHBondContact O-OG 3.35Å; E534-S537 VanDerWaalsContact O-OG 3.09Å; S537-T541 WeakPolarHBondContact O-CG2 3.27Å; S537-T541 PolarHBondContact O-N 3.19Å; S537-T541 PolarHBondContact O-OG1 3.13Å
538	T	78.6	Confident	74.8	Confident	73 Å²	73	111 Å²	111	45%	0.448	58%	0.576	S	S	.	*	H	α-helix	trans	-72.5	-33.9	172	53.1	0	0	0	0	112.6	E534 E535 T541 M542	E534-T538 VanDerWaalsContact O-CB 3.29Å; E534-T538 WeakPolarHBondContact O-CB 3.44Å; E534-T538 VanDerWaalsContact O-CG2 3.24Å; E534-T538 WeakPolarHBondContact O-CG2 3.25Å; E534-T538 PolarHBondContact O-N 2.91Å; E534-T538 PolarHBondContact O-OG1 3.14Å; E535-T538 VanDerWaalsContact CA-OG1 3.32Å; E535-T538 WeakPolarHBondContact CA-OG1 3.43Å; E535-T538 PolarHBondContact O-OG1 2.97Å; E535-T538 VanDerWaalsContact O-OG1 3.13Å; T538-T541 WeakPolarHBondContact CA-OG1 3.22Å; T538-T541 PolarHBondContact O-OG1 3.44Å; T538-M542 VanDerWaalsContact O-CB 3.25Å; T538-M542 WeakPolarHBondContact O-CB 3.21Å; T538-M542 WeakPolarHBondContact O-CG 3.49Å; T538-M542 PolarHBondContact O-N 2.97Å
539	A	84.8	Confident	77.4	Confident	48 Å²	48	107.9 Å²	107.9	40%	0.397	56%	0.564	S	S	.	*	H	α-helix	trans	-63.4	-46.4	170.8	0	0	0	0	0	111.6	E535 E536 T541 M542 E543	E535-A539 WeakPolarHBondContact O-CB 3.49Å; E535-A539 PolarHBondContact O-N 3.25Å; E536-A539 PolarHBondContact O-N 3.45Å; A539-T541 PolarHBondContact O-N 2.93Å; A539-M542 PolarHBondContact O-N 3.13Å; A539-E543 PolarHBondContact O-N 2.72Å
540	T	88.5	Confident	79.5	Confident	90 Å²	90	106.6 Å²	106.6	55%	0.552	55%	0.548	S	S	*	.	H	α-helix	trans	-62.2	-44.5	179	-58	0	0	0	0	111.5	E536 E543 A544	E536-T540 WeakPolarHBondContact O-CB 3.49Å; E536-T540 PolarHBondContact O-N 3.31Å; E536-T540 PolarHBondContact O-OG1 3.11Å; T540-E543 PolarHBondContact O-N 3.46Å; T540-A544 PolarHBondContact O-N 3.18Å
541	T	91	Very high	81.3	Confident	80 Å²	80	102 Å²	102	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-70.4	-36.5	176.1	48.8	0	0	0	0	112.4	S537 T538 A539 A544 L545	S537-T541 WeakPolarHBondContact O-CG2 3.27Å; S537-T541 PolarHBondContact O-N 3.19Å; S537-T541 PolarHBondContact O-OG1 3.13Å; T538-T541 WeakPolarHBondContact CA-OG1 3.22Å; T538-T541 PolarHBondContact O-OG1 3.44Å; A539-T541 PolarHBondContact O-N 2.93Å; T541-A544 PolarHBondContact O-N 3.49Å; T541-L545 WeakPolarHBondContact O-CB 3.37Å; T541-L545 VanDerWaalsContact O-CG 3.27Å; T541-L545 WeakPolarHBondContact O-CG 3.37Å; T541-L545 PolarHBondContact O-N 3.31Å
542	M	92.4	Very high	83	Confident	102 Å²	102	96.4 Å²	96.4	50%	0.502	51%	0.505	S	S	.	.	H	α-helix	trans	-63.3	-37.7	170.6	-84.4	-149.8	-75.7	0	0	112.8	T538 A539 L545 K546	T538-M542 VanDerWaalsContact O-CB 3.25Å; T538-M542 WeakPolarHBondContact O-CB 3.21Å; T538-M542 WeakPolarHBondContact O-CG 3.49Å; T538-M542 PolarHBondContact O-N 2.97Å; A539-M542 PolarHBondContact O-N 3.13Å; M542-L545 PolarHBondContact O-N 3.37Å; M542-K546 WeakPolarHBondContact O-CB 3.26Å; M542-K546 WeakPolarHBondContact O-CD 3.06Å; M542-K546 WeakPolarHBondContact O-CG 3.44Å; M542-K546 PolarHBondContact O-N 2.81Å
543	E	94.1	Very high	84.9	Confident	132 Å²	132	96.2 Å²	96.2	62%	0.617	50%	0.498	S	S	*	.	H	α-helix	trans	-69	-41.8	175.7	-177.9	156.2	-148.4	0	0	111.8	A539 T540 L545 K546 A547	A539-E543 PolarHBondContact O-N 2.72Å; T540-E543 PolarHBondContact O-N 3.46Å; E543-L545 VanDerWaalsContact C-N 3.32Å; E543-L545 PolarHBondContact O-N 2.72Å; E543-K546 CarbonylContact O-C 3.59Å; E543-K546 PolarHBondContact O-N 3.31Å; E543-A547 WeakPolarHBondContact O-CB 3.47Å; E543-A547 PolarHBondContact O-N 3.29Å
544	A	94.4	Very high	86.1	Confident	61 Å²	61	98.9 Å²	98.9	50%	0.504	50%	0.504	S	S	.	.	H	α-helix	trans	-58.9	-42	172.2	0	0	0	0	0	112.1	T540 T541 A547 R548	T540-A544 PolarHBondContact O-N 3.18Å; T541-A544 PolarHBondContact O-N 3.49Å; A544-A547 PolarHBondContact O-N 3.25Å; A544-R548 WeakPolarHBondContact O-CB 3.37Å; A544-R548 PolarHBondContact O-N 3.14Å
545	L	95.6	Very high	86.9	Confident	111 Å²	111	93.8 Å²	93.8	58%	0.581	48%	0.48	S	S	*	.	H	α-helix	trans	-65.6	-43.5	174.2	-71.6	169.7	0	0	0	112	T541 M542 E543 A547 R548 I549	T541-L545 WeakPolarHBondContact O-CB 3.37Å; T541-L545 VanDerWaalsContact O-CG 3.27Å; T541-L545 WeakPolarHBondContact O-CG 3.37Å; T541-L545 PolarHBondContact O-N 3.31Å; M542-L545 PolarHBondContact O-N 3.37Å; E543-L545 VanDerWaalsContact C-N 3.32Å; E543-L545 PolarHBondContact O-N 2.72Å; L545-A547 VanDerWaalsContact C-N 3.31Å; L545-A547 PolarHBondContact O-N 2.92Å; L545-R548 PolarHBondContact O-N 2.65Å; L545-I549 VanDerWaalsContact O-CG1 3.29Å; L545-I549 WeakPolarHBondContact O-CG1 3.09Å; L545-I549 PolarHBondContact O-N 2.96Å
546	K	95.3	Very high	87.8	Confident	116 Å²	116	90.1 Å²	90.1	50%	0.504	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-32.5	174.2	-72.4	164	-174.9	172.4	0	112.7	M542 E543 R550	M542-K546 WeakPolarHBondContact O-CB 3.26Å; M542-K546 WeakPolarHBondContact O-CD 3.06Å; M542-K546 WeakPolarHBondContact O-CG 3.44Å; M542-K546 PolarHBondContact O-N 2.81Å; E543-K546 CarbonylContact O-C 3.59Å; E543-K546 PolarHBondContact O-N 3.31Å; K546-R550 WeakPolarHBondContact O-CG 3.35Å; K546-R550 PolarHBondContact O-N 2.91Å; K546-R550 VanDerWaalsContact O-N 3.17Å; K546-R550 PolarHBondContact O-NE 2.73Å; K546-R550 VanDerWaalsContact O-NE 3.11Å
547	A	95	Very high	88	Confident	44 Å²	44	92 Å²	92	36%	0.364	48%	0.478	S	S	.	.	H	α-helix	trans	-69.7	-42.7	171.8	0	0	0	0	0	111.3	E543 A544 L545 R550 E551	E543-A547 WeakPolarHBondContact O-CB 3.47Å; E543-A547 PolarHBondContact O-N 3.29Å; A544-A547 PolarHBondContact O-N 3.25Å; L545-A547 VanDerWaalsContact C-N 3.31Å; L545-A547 PolarHBondContact O-N 2.92Å; A547-R550 PolarHBondContact O-N 3.14Å; A547-E551 PolarHBondContact O-N 3.21Å
548	R	93.9	Very high	87.9	Confident	147 Å²	147	95.1 Å²	95.1	56%	0.555	48%	0.48	S	S	*	.	H	α-helix	trans	-65.5	-39.4	176.4	-175.3	57.1	176.6	-176.2	2.1	112.6	A544 L545 E551 L552	A544-R548 WeakPolarHBondContact O-CB 3.37Å; A544-R548 PolarHBondContact O-N 3.14Å; L545-R548 PolarHBondContact O-N 2.65Å; R548-E551 PolarHBondContact O-N 3.29Å; R548-L552 HydrophobicContact CG-CD1 4.12Å; R548-L552 WeakPolarHBondContact O-CB 3.42Å; R548-L552 VanDerWaalsContact O-CG 3.28Å; R548-L552 WeakPolarHBondContact O-CG 3.47Å; R548-L552 PolarHBondContact O-N 2.85Å
549	I	93.8	Very high	87.4	Confident	89 Å²	89	92.9 Å²	92.9	46%	0.456	47%	0.472	S	S	.	.	H	α-helix	trans	-60.4	-50.8	173.5	-70.7	163.7	0	0	0	110	L545 E551 L552 E553	L545-I549 VanDerWaalsContact O-CG1 3.29Å; L545-I549 WeakPolarHBondContact O-CG1 3.09Å; L545-I549 PolarHBondContact O-N 2.96Å; I549-E551 VanDerWaalsContact C-N 3.31Å; I549-E551 PolarHBondContact O-N 2.75Å; I549-L552 CarbonylContact O-C 3.48Å; I549-L552 WeakPolarHBondContact O-CB 3.49Å; I549-L552 PolarHBondContact O-N 3.28Å; I549-E553 HydrophobicContact CG2-CG 4.26Å; I549-E553 WeakPolarHBondContact CG2-OE1 3.45Å; I549-E553 WeakPolarHBondContact O-CG 3.27Å; I549-E553 PolarHBondContact O-N 2.94Å
550	R	94.1	Very high	86.6	Confident	145 Å²	145	93.9 Å²	93.9	55%	0.547	47%	0.47	S	S	.	.	H	α-helix	trans	-58.6	-37.2	177.7	-75.4	179.7	-68.8	168.7	-2.7	114	K546 A547 E553 K554	K546-R550 WeakPolarHBondContact O-CG 3.35Å; K546-R550 PolarHBondContact O-N 2.91Å; K546-R550 VanDerWaalsContact O-N 3.17Å; K546-R550 PolarHBondContact O-NE 2.73Å; K546-R550 VanDerWaalsContact O-NE 3.11Å; A547-R550 PolarHBondContact O-N 3.14Å; R550-E553 WeakPolarHBondContact CA-OE2 3.38Å; R550-K554 VanDerWaalsContact O-CB 3.32Å; R550-K554 WeakPolarHBondContact O-CB 3.28Å; R550-K554 PolarHBondContact O-N 3.12Å
551	E	90.3	Very high	85.8	Confident	62 Å²	62	96.4 Å²	96.4	29%	0.29	47%	0.47	S	S	.	.	H	α-helix	trans	-73.7	-34.7	174.9	179.2	53.3	-152.4	0	0	112.3	A547 R548 I549 K554 Q555 R558	A547-E551 PolarHBondContact O-N 3.21Å; R548-E551 PolarHBondContact O-N 3.29Å; I549-E551 VanDerWaalsContact C-N 3.31Å; I549-E551 PolarHBondContact O-N 2.75Å; E551-K554 CarbonylContact O-C 3.52Å; E551-K554 PolarHBondContact O-N 3.22Å; E551-Q555 VanDerWaalsContact O-CG 3.28Å; E551-Q555 WeakPolarHBondContact O-CG 3.37Å; E551-Q555 PolarHBondContact O-N 3.45Å; E551-Q555 PolarHBondContact OE1-NE2 2.86Å; E551-R558 IonicContact OE1-CZ 2.67Å; E551-R558 IonicContact OE1-NH2 2.71Å; E551-R558 PolarHBondContact OE1-NH2 2.81Å; E551-R558 IonicContact OE2-NH2 3.98Å; E551-R558 PolarHBondContact OE2-NH2 2.93Å
552	L	85.5	Confident	85.5	Confident	74 Å²	74	96.8 Å²	96.8	39%	0.387	46%	0.463	S	S	.	.	H	α-helix	trans	-66.6	-41.2	172	-72.6	168.9	0	0	0	111.9	R548 I549 K554 Q555 I556	R548-L552 HydrophobicContact CG-CD1 4.12Å; R548-L552 WeakPolarHBondContact O-CB 3.42Å; R548-L552 VanDerWaalsContact O-CG 3.28Å; R548-L552 WeakPolarHBondContact O-CG 3.47Å; R548-L552 PolarHBondContact O-N 2.85Å; I549-L552 CarbonylContact O-C 3.48Å; I549-L552 WeakPolarHBondContact O-CB 3.49Å; I549-L552 PolarHBondContact O-N 3.28Å; L552-K554 VanDerWaalsContact C-N 3.31Å; L552-K554 PolarHBondContact O-N 2.94Å; L552-Q555 CarbonylContact O-C 3.56Å; L552-Q555 PolarHBondContact O-N 3.4Å; L552-Q555 VanDerWaalsContact O-N 3.08Å; L552-I556 WeakPolarHBondContact O-CG1 3.14Å; L552-I556 PolarHBondContact O-N 3.18Å
553	E	88.2	Confident	85.4	Confident	98 Å²	98	96.3 Å²	96.3	46%	0.458	46%	0.458	S	S	.	.	H	α-helix	trans	-58	-44	170.4	-70.8	167.9	161.7	0	0	110.8	I549 R550 Q555 I556 L557	I549-E553 HydrophobicContact CG2-CG 4.26Å; I549-E553 WeakPolarHBondContact CG2-OE1 3.45Å; I549-E553 WeakPolarHBondContact O-CG 3.27Å; I549-E553 PolarHBondContact O-N 2.94Å; R550-E553 WeakPolarHBondContact CA-OE2 3.38Å; E553-Q555 VanDerWaalsContact C-N 3.26Å; E553-Q555 PolarHBondContact O-N 2.83Å; E553-I556 WeakPolarHBondContact O-CB 3.34Å; E553-I556 PolarHBondContact O-N 2.95Å; E553-L557 WeakPolarHBondContact O-CB 3.25Å; E553-L557 VanDerWaalsContact O-CG 3.31Å; E553-L557 WeakPolarHBondContact O-CG 3.33Å; E553-L557 PolarHBondContact O-N 3.36Å
554	K	85.5	Confident	85.4	Confident	117 Å²	117	90 Å²	90	51%	0.509	43%	0.429	S	S	.	.	H	α-helix	trans	-68.2	-20.5	175.1	-164.1	-176.6	169.6	-170	0	113.6	R550 E551 L552 R558	R550-K554 VanDerWaalsContact O-CB 3.32Å; R550-K554 WeakPolarHBondContact O-CB 3.28Å; R550-K554 PolarHBondContact O-N 3.12Å; E551-K554 CarbonylContact O-C 3.52Å; E551-K554 PolarHBondContact O-N 3.22Å; L552-K554 VanDerWaalsContact C-N 3.31Å; L552-K554 PolarHBondContact O-N 2.94Å; K554-R558 WeakPolarHBondContact O-CB 3.44Å; K554-R558 WeakPolarHBondContact O-CG 3.49Å; K554-R558 PolarHBondContact O-N 3.41Å; K554-R558 PolarHBondContact O-NE 2.79Å
555	Q	78.6	Confident	85.3	Confident	57 Å²	57	93 Å²	93	27%	0.266	44%	0.435	S	S	.	.	H	α-helix	trans	-85.9	-31.5	172.2	-72.8	168	15.2	0	0	112	E551 L552 E553 G559 D560	E551-Q555 VanDerWaalsContact O-CG 3.28Å; E551-Q555 WeakPolarHBondContact O-CG 3.37Å; E551-Q555 PolarHBondContact O-N 3.45Å; E551-Q555 PolarHBondContact OE1-NE2 2.86Å; L552-Q555 CarbonylContact O-C 3.56Å; L552-Q555 PolarHBondContact O-N 3.4Å; L552-Q555 VanDerWaalsContact O-N 3.08Å; E553-Q555 VanDerWaalsContact C-N 3.26Å; E553-Q555 PolarHBondContact O-N 2.83Å; Q555-G559 PolarHBondContact O-N 3.13Å; Q555-D560 PolarHBondContact O-N 3.12Å
556	I	79.4	Confident	85.2	Confident	72 Å²	72	91.1 Å²	91.1	37%	0.369	43%	0.425	S	S	.	.	H	α-helix	trans	-61.6	-51.5	166.3	-65.9	163.8	0	0	0	109.5	L552 E553 R558 G559	L552-I556 WeakPolarHBondContact O-CG1 3.14Å; L552-I556 PolarHBondContact O-N 3.18Å; E553-I556 WeakPolarHBondContact O-CB 3.34Å; E553-I556 PolarHBondContact O-N 2.95Å; I556-R558 VanDerWaalsContact C-N 3.29Å; I556-R558 PolarHBondContact O-N 3.29Å; I556-G559 PolarHBondContact O-N 3.18Å
557	L	73.7	Confident	85.2	Confident	154 Å²	154	87.8 Å²	87.8	81%	0.806	42%	0.416	S	S	*	.	H	α-helix	trans	-66.2	-24.5	-178.5	-70.9	167.7	0	0	0	114.2	E553 G559	E553-L557 WeakPolarHBondContact O-CB 3.25Å; E553-L557 VanDerWaalsContact O-CG 3.31Å; E553-L557 WeakPolarHBondContact O-CG 3.33Å; E553-L557 PolarHBondContact O-N 3.36Å; L557-G559 VanDerWaalsContact C-N 3.29Å
558	R	73.3	Confident	85	Confident	125 Å²	125	93 Å²	93	47%	0.472	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.8	171.6	-86	178.5	-80.7	180	0.8	113.7	E551 K554 I556 D560	E551-R558 IonicContact OE1-CZ 2.67Å; E551-R558 IonicContact OE1-NH2 2.71Å; E551-R558 PolarHBondContact OE1-NH2 2.81Å; E551-R558 IonicContact OE2-NH2 3.98Å; E551-R558 PolarHBondContact OE2-NH2 2.93Å; K554-R558 WeakPolarHBondContact O-CB 3.44Å; K554-R558 WeakPolarHBondContact O-CG 3.49Å; K554-R558 PolarHBondContact O-N 3.41Å; K554-R558 PolarHBondContact O-NE 2.79Å; I556-R558 VanDerWaalsContact C-N 3.29Å; I556-R558 PolarHBondContact O-N 3.29Å; R558-D560 WeakPolarHBondContact CB-OD2 3.42Å; R558-D560 PolarHBondContact O-N 3.29Å
559	G	67.6	Low	84.9	Confident	27 Å²	27	91.1 Å²	91.1	28%	0.278	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	5.8	-175.5	0	0	0	0	0	114.2	Q555 I556 L557 R561 Y562	Q555-G559 PolarHBondContact O-N 3.13Å; I556-G559 PolarHBondContact O-N 3.18Å; L557-G559 VanDerWaalsContact C-N 3.29Å; G559-R561 PolarHBondContact O-N 2.97Å; G559-Y562 PolarHBondContact O-N 3.32Å
560	D	68.8	Low	84.7	Confident	69 Å²	69	90.7 Å²	90.7	37%	0.369	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.8	-171	-88.9	-52.9	0	0	0	114	Q555 R558 K563	Q555-D560 PolarHBondContact O-N 3.12Å; R558-D560 WeakPolarHBondContact CB-OD2 3.42Å; R558-D560 PolarHBondContact O-N 3.29Å; D560-K563 WeakPolarHBondContact O-CE 3.42Å; D560-K563 VanDerWaalsContact OD1-CE 3.31Å; D560-K563 WeakPolarHBondContact OD1-CE 3.5Å; D560-K563 IonicContact OD1-NZ 2.61Å; D560-K563 PolarHBondContact OD1-NZ 2.91Å
561	R	72.3	Confident	84.7	Confident	142 Å²	142	86.3 Å²	86.3	54%	0.536	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-18.7	179	-36	-161.9	-49.7	171.6	4.6	114.1	G559	G559-R561 PolarHBondContact O-N 2.97Å
562	Y	83	Confident	84.8	Confident	89 Å²	89	87.5 Å²	87.5	35%	0.349	44%	0.436	S	S	.	.			trans	-117.3	67.8	-168.1	-53.6	-42.2	0	0	0	110.2	G559 Y571	G559-Y562 PolarHBondContact O-N 3.32Å; Y562-Y571 VanDerWaalsContact C-CD2 3.46Å; Y562-Y571 WeakPolarHBondContact O-CD2 3.35Å
563	K	90.7	Very high	85.2	Confident	91 Å²	91	89.2 Å²	89.2	40%	0.396	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-111.3	141.6	177.1	-59.9	-175.6	-169.9	-175.8	0	110.7	D560 M568 D569 Y571	D560-K563 WeakPolarHBondContact O-CE 3.42Å; D560-K563 VanDerWaalsContact OD1-CE 3.31Å; D560-K563 WeakPolarHBondContact OD1-CE 3.5Å; D560-K563 IonicContact OD1-NZ 2.61Å; D560-K563 PolarHBondContact OD1-NZ 2.91Å; K563-M568 WeakPolarHBondContact CD-O 3.47Å; K563-D569 CarbonylContact C-O 3.59Å; K563-D569 WeakPolarHBondContact CA-O 3.13Å; K563-D569 WeakPolarHBondContact CB-O 3.43Å; K563-Y571 VanDerWaalsContact C-CE2 3.46Å; K563-Y571 WeakPolarHBondContact O-CE2 3.31Å; K563-Y571 VanDerWaalsContact O-CZ 3.32Å; K563-Y571 PolarHBondContact O-OH 3.39Å
564	C	94.1	Very high	85.6	Confident	1 Å²	1	85.3 Å²	85.3	1%	0.007	43%	0.426	C	S	.	.			trans	-76.6	128.8	178.2	174.7	0	0	0	0	110	I566 M568 D569 Y571 H584 C585	C564-I566 PolarHBondContact O-N 3.49Å; C564-M568 WeakPolarHBondContact O-CA 3.41Å; C564-M568 PolarHBondContact O-N 3Å; C564-D569 PolarHBondContact N-O 3.1Å; C564-Y571 HydrophobicContact CB-CD1 3.83Å; C564-Y571 HydrophobicContact CB-CE1 3.7Å; C564-H584 PolarHBondContact SG-ND1 2.85Å; C564-H584 VanDerWaalsContact SG-ND1 3.44Å; C564-C585 WeakPolarHBondContact CB-SG 3.39Å
565	L	93.1	Very high	86.1	Confident	122 Å²	122	79.7 Å²	79.7	64%	0.639	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	3.9	-176.9	-55.2	-177.7	0	0	0	115.1	Q601	L565-Q601 HydrophobicContact CD1-CG 4.28Å
566	I	94.1	Very high	86.9	Confident	73 Å²	73	77.4 Å²	77.4	37%	0.374	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-54.9	179.7	-67	169.4	0	0	0	111.3	C564 H584 C588 P600	C564-I566 PolarHBondContact O-N 3.49Å; I566-H584 HydrophobicContact CD1-CB 4.42Å; I566-H584 VanDerWaalsContact CD1-ND1 3.34Å; I566-H584 WeakPolarHBondContact CD1-ND1 3.28Å; I566-C588 HydrophobicContact CB-CB 3.98Å; I566-C588 HydrophobicContact CD1-CB 3.89Å; I566-C588 HydrophobicContact CG2-CB 3.93Å; I566-P600 HydrophobicContact CD1-CB 3.81Å; I566-P600 HydrophobicContact CD1-CG 3.59Å
567	C	93.9	Very high	87.7	Confident	46 Å²	46	74 Å²	74	31%	0.311	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-9.5	175.9	58.2	0	0	0	0	113.8	D569	C567-D569 PolarHBondContact O-N 3.45Å
568	M	92.1	Very high	88.6	Confident	153 Å²	153	68 Å²	68	75%	0.754	34%	0.343	S	S	*	.			trans	63.7	-8.3	-176	-51	-176	72.7	0	0	115.6	K563 C564	K563-M568 WeakPolarHBondContact CD-O 3.47Å; C564-M568 WeakPolarHBondContact O-CA 3.41Å; C564-M568 PolarHBondContact O-N 3Å
569	D	91.1	Very high	89.6	Confident	108 Å²	108	67.3 Å²	67.3	58%	0.578	35%	0.345	S	S	*	.	S	Bend	trans	-78	172.1	172.7	-66.8	-49.2	0	0	0	113.8	K563 C564 C567	K563-D569 CarbonylContact C-O 3.59Å; K563-D569 WeakPolarHBondContact CA-O 3.13Å; K563-D569 WeakPolarHBondContact CB-O 3.43Å; C564-D569 PolarHBondContact N-O 3.1Å; C567-D569 PolarHBondContact O-N 3.45Å
570	S	90.4	Very high	90.9	Very high	80 Å²	80	67 Å²	67	56%	0.559	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-58.7	147.8	167.1	50.9	0	0	0	0	112	T572	S570-T572 PolarHBondContact O-N 3.11Å
571	Y	92.5	Very high	92.2	Very high	53 Å²	53	71 Å²	71	21%	0.208	35%	0.348	C	S	.	.			trans	-63	107.6	-174.8	-72.4	-83.3	0	0	0	113.8	Y562 K563 C564 M573 P574 V583 L616	Y562-Y571 VanDerWaalsContact C-CD2 3.46Å; Y562-Y571 WeakPolarHBondContact O-CD2 3.35Å; K563-Y571 VanDerWaalsContact C-CE2 3.46Å; K563-Y571 WeakPolarHBondContact O-CE2 3.31Å; K563-Y571 VanDerWaalsContact O-CZ 3.32Å; K563-Y571 PolarHBondContact O-OH 3.39Å; C564-Y571 HydrophobicContact CB-CD1 3.83Å; C564-Y571 HydrophobicContact CB-CE1 3.7Å; Y571-M573 PolarHBondContact O-N 3.2Å; Y571-P574 HydrophobicContact CD1-CB 3.95Å; Y571-P574 HydrophobicContact CG-CB 4.11Å; Y571-V583 HydrophobicContact CD1-CG1 4.21Å; Y571-V583 HydrophobicContact CE1-CB 4.35Å; Y571-V583 HydrophobicContact CE1-CG1 3.9Å; Y571-L616 HydrophobicContact CD1-CD1 4.27Å; Y571-L616 HydrophobicContact CD2-CD1 3.41Å; Y571-L616 VanDerWaalsContact CD2-CD1 3.41Å; Y571-L616 HydrophobicContact CE2-CD1 3.86Å; Y571-L616 HydrophobicContact CG-CD1 3.67Å
572	T	92.8	Very high	93.3	Very high	86 Å²	86	66.9 Å²	66.9	53%	0.528	34%	0.335	S	S	.	.	S	Bend	trans	-82	109.1	165	46.6	0	0	0	0	109.8	S570 C585 E586	S570-T572 PolarHBondContact O-N 3.11Å; T572-C585 PolarHBondContact N-SG 3.41Å; T572-C585 VanDerWaalsContact O-CA 3.28Å; T572-C585 WeakPolarHBondContact O-CA 3.39Å; T572-C585 WeakPolarHBondContact O-CB 3.46Å; T572-C585 WeakPolarHBondContact OG1-CB 3.33Å; T572-C585 PolarHBondContact OG1-SG 2.87Å; T572-C585 VanDerWaalsContact OG1-SG 3.4Å; T572-E586 PolarHBondContact O-N 3.06Å
573	M	94.3	Very high	94	Very high	110 Å²	110	64 Å²	64	54%	0.542	33%	0.327	S	S	.	.	S	Bend	trans	51.4	66.4	177.7	-63.8	153.2	88.2	0	0	111.9	Y571 L575 E586	Y571-M573 PolarHBondContact O-N 3.2Å; M573-L575 PolarHBondContact O-N 3.2Å; M573-E586 HydrophobicContact CB-CB 4.09Å; M573-E586 WeakPolarHBondContact CB-OE2 3.45Å; M573-E586 VanDerWaalsContact CE-OE2 3.22Å; M573-E586 WeakPolarHBondContact CE-OE2 3.43Å; M573-E586 WeakPolarHBondContact O-CB 3.37Å; M573-E586 PolarHBondContact O-N 3.49Å; M573-E586 VanDerWaalsContact O-N 3.09Å
574	P	95.4	Very high	94.2	Very high	16 Å²	16	59.8 Å²	59.8	10%	0.104	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	132.7	-173.7	21.6	-29.3	0	0	0	112.6	Y571 V583 H584 V614 L616	Y571-P574 HydrophobicContact CD1-CB 3.95Å; Y571-P574 HydrophobicContact CG-CB 4.11Å; P574-V583 HydrophobicContact CB-CG1 3.66Å; P574-H584 WeakPolarHBondContact CA-O 3.22Å; P574-V614 HydrophobicContact CB-CG2 3.93Å; P574-V614 HydrophobicContact CG-CG2 4.21Å; P574-V614 WeakPolarHBondContact O-CG2 3.25Å; P574-V614 PolarHBondContact O-N 2.99Å; P574-L616 HydrophobicContact CB-CD1 3.82Å; P574-L616 HydrophobicContact CB-CG 4.31Å; P574-L616 HydrophobicContact CG-CD1 3.87Å; P574-L616 HydrophobicContact CG-CG 4Å
575	L	96.4	Very high	94.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.9	171.3	-39.2	-179.6	0	0	0	110	Y444 M573 V583 H584 E586 W589 L611 R612 R613	Y444-L575 HydrophobicContact CD2-CD1 4.26Å; Y444-L575 HydrophobicContact CE1-CD1 4.31Å; Y444-L575 HydrophobicContact CE2-CD1 3.61Å; Y444-L575 HydrophobicContact CE2-CD2 3.87Å; Y444-L575 HydrophobicContact CE2-CG 4.37Å; Y444-L575 WeakPolarHBondContact OH-CD2 3.45Å; M573-L575 PolarHBondContact O-N 3.2Å; L575-V583 WeakPolarHBondContact O-CA 3.35Å; L575-H584 PolarHBondContact N-O 2.83Å; L575-H584 PolarHBondContact O-N 3.45Å; L575-H584 VanDerWaalsContact O-N 3.11Å; L575-E586 HydrophobicContact CD1-CB 4.05Å; L575-E586 HydrophobicContact CD1-CG 4.19Å; L575-E586 HydrophobicContact CD2-CB 4.31Å; L575-E586 HydrophobicContact CG-CB 4.1Å; L575-W589 HydrophobicContact CD1-CB 4.42Å; L575-W589 PolarHBondContact O-NE1 3.42Å; L575-L611 HydrophobicContact CB-CB 4.5Å; L575-L611 HydrophobicContact CD1-CB 4.22Å; L575-L611 HydrophobicContact CD1-CD1 3.94Å; L575-R612 CarbonylContact C-O 3.25Å; L575-R612 VanDerWaalsContact CA-O 3.28Å; L575-R612 WeakPolarHBondContact CA-O 3.47Å; L575-R613 HydrophobicContact CD2-CB 4.16Å; L575-R613 HydrophobicContact CD2-CG 3.41Å; L575-R613 VanDerWaalsContact CD2-CG 3.41Å
576	T	96.1	Very high	94.5	Very high	8 Å²	8	55.4 Å²	55.4	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	151.3	165.5	-165.1	0	0	0	0	110.5	W581 H582 L611 R612 V614	T576-W581 WeakPolarHBondContact OG1-CA 3.46Å; T576-W581 PolarHBondContact OG1-O 3.12Å; T576-H582 WeakPolarHBondContact CA-O 3.33Å; T576-H582 PolarHBondContact OG1-O 2.91Å; T576-L611 CarbonylContact O-C 3.58Å; T576-L611 WeakPolarHBondContact O-CA 3.42Å; T576-R612 HydrophobicContact CG2-CB 4.46Å; T576-R612 PolarHBondContact N-O 3.36Å; T576-R612 PolarHBondContact O-N 3.23Å; T576-V614 HydrophobicContact CG2-CG1 3.66Å
577	S	95.6	Very high	94.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.9	167.7	166.9	0	0	0	0	109.5	Q579 C580 W581 H582 T606	S577-Q579 PolarHBondContact O-N 3.38Å; S577-Q579 VanDerWaalsContact O-N 3.1Å; S577-Q579 PolarHBondContact OG-N 3.04Å; S577-C580 PolarHBondContact O-N 3.23Å; S577-W581 VanDerWaalsContact O-CA 3.3Å; S577-W581 WeakPolarHBondContact O-CA 3.29Å; S577-W581 PolarHBondContact O-N 3.16Å; S577-H582 PolarHBondContact N-O 3.44Å; S577-T606 WeakPolarHBondContact OG-CG2 3.3Å; S577-T606 PolarHBondContact OG-OG1 2.9Å
578	I	94.1	Very high	94.7	Very high	30 Å²	30	55.1 Å²	55.1	15%	0.154	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.2	177.9	65.4	-175.4	0	0	0	113.1	Y439 W581 D610 R612	Y439-I578 HydrophobicContact CD1-CB 4.34Å; Y439-I578 HydrophobicContact CD1-CG2 3.78Å; Y439-I578 HydrophobicContact CD2-CD1 4.14Å; Y439-I578 HydrophobicContact CE1-CG2 4.42Å; Y439-I578 HydrophobicContact CG-CB 4.3Å; Y439-I578 HydrophobicContact CG-CD1 4.26Å; Y439-I578 HydrophobicContact CG-CG2 3.85Å; I578-W581 PolarHBondContact O-NE1 3.4Å; I578-W581 VanDerWaalsContact O-NE1 3.15Å; I578-D610 HydrophobicContact CG1-CB 4.03Å; I578-D610 WeakPolarHBondContact CG1-O 3.44Å; I578-D610 PolarHBondContact N-O 2.85Å; I578-R612 HydrophobicContact CG2-CG 3.83Å
579	Q	93.4	Very high	94.9	Very high	109 Å²	109	47.9 Å²	47.9	51%	0.509	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-32.4	-179.6	-56.4	-61.5	-18	0	0	113.3	S577 T604 D610	S577-Q579 PolarHBondContact O-N 3.38Å; S577-Q579 VanDerWaalsContact O-N 3.1Å; S577-Q579 PolarHBondContact OG-N 3.04Å; Q579-T604 HydrophobicContact CB-CG2 4.43Å; Q579-D610 HydrophobicContact CG-CB 4.03Å; Q579-D610 WeakPolarHBondContact CG-OD1 3.48Å; Q579-D610 PolarHBondContact NE2-OD1 2.73Å
580	C	95.3	Very high	95.1	Very high	20 Å²	20	43.2 Å²	43.2	14%	0.135	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.4	-1	-171.1	66.8	0	0	0	0	115.4	S577 H582 C599 T604	S577-C580 PolarHBondContact O-N 3.23Å; C580-H582 PolarHBondContact O-CE1 3.23Å; C580-H582 PolarHBondContact O-N 3.26Å; C580-H582 PolarHBondContact O-ND1 2.9Å; C580-C599 PolarHBondContact SG-SG 3.42Å; C580-T604 HydrophobicContact CB-CG2 4.35Å
581	W	95.6	Very high	95.4	Very high	154 Å²	154	45.3 Å²	45.3	58%	0.583	21%	0.213	S	C	*	.			trans	60.3	-2.9	173.1	-59.9	84.9	0	0	0	117.6	Y439 T576 S577 I578	Y439-W581 AromaticContact CE1-CH2 3.8Å; Y439-W581 HydrophobicContact CE1-CH2 3.8Å; Y439-W581 AromaticContact CE1-CZ2 3.83Å; Y439-W581 HydrophobicContact CE1-CZ2 3.83Å; T576-W581 WeakPolarHBondContact OG1-CA 3.46Å; T576-W581 PolarHBondContact OG1-O 3.12Å; S577-W581 VanDerWaalsContact O-CA 3.3Å; S577-W581 WeakPolarHBondContact O-CA 3.29Å; S577-W581 PolarHBondContact O-N 3.16Å; I578-W581 PolarHBondContact O-NE1 3.4Å; I578-W581 VanDerWaalsContact O-NE1 3.15Å
582	H	96.2	Very high	95.5	Very high	56 Å²	56	44.3 Å²	44.3	26%	0.259	21%	0.213	S	C	.	.			trans	-59.5	142.2	170	-60.7	116	0	0	0	112.6	T576 S577 C580 Q601 C602	T576-H582 WeakPolarHBondContact CA-O 3.33Å; T576-H582 PolarHBondContact OG1-O 2.91Å; S577-H582 PolarHBondContact N-O 3.44Å; C580-H582 PolarHBondContact O-CE1 3.23Å; C580-H582 PolarHBondContact O-N 3.26Å; C580-H582 PolarHBondContact O-ND1 2.9Å; H582-Q601 HydrophobicContact CB-CB 4.34Å; H582-Q601 PolarHBondContact CD2-OE1 2.98Å; H582-C602 PolarHBondContact CE1-SG 3.01Å; H582-C602 PolarHBondContact ND1-SG 3.39Å
583	V	96.4	Very high	95.6	Very high	29 Å²	29	40.2 Å²	40.2	18%	0.176	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.9	-173.8	-171.9	0	0	0	0	111.2	Y571 P574 L575 V614 L616	Y571-V583 HydrophobicContact CD1-CG1 4.21Å; Y571-V583 HydrophobicContact CE1-CB 4.35Å; Y571-V583 HydrophobicContact CE1-CG1 3.9Å; P574-V583 HydrophobicContact CB-CG1 3.66Å; L575-V583 WeakPolarHBondContact O-CA 3.35Å; V583-V614 HydrophobicContact CG1-CG2 4.16Å; V583-L616 HydrophobicContact CG1-CD1 4.21Å
584	H	96.4	Very high	95.5	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	164	172.4	-67.4	-82.7	0	0	0	110.4	C564 I566 P574 L575 C588 W589 Q601	C564-H584 PolarHBondContact SG-ND1 2.85Å; C564-H584 VanDerWaalsContact SG-ND1 3.44Å; I566-H584 HydrophobicContact CD1-CB 4.42Å; I566-H584 VanDerWaalsContact CD1-ND1 3.34Å; I566-H584 WeakPolarHBondContact CD1-ND1 3.28Å; P574-H584 WeakPolarHBondContact CA-O 3.22Å; L575-H584 PolarHBondContact N-O 2.83Å; L575-H584 PolarHBondContact O-N 3.45Å; L575-H584 VanDerWaalsContact O-N 3.11Å; H584-C588 HydrophobicContact CB-CB 4.18Å; H584-W589 HydrophobicContact CB-CG 4.2Å; H584-Q601 PolarHBondContact CE1-NE2 3.42Å; H584-Q601 VanDerWaalsContact CE1-NE2 3.28Å; H584-Q601 WeakPolarHBondContact NE2-CG 3.3Å; H584-Q601 PolarHBondContact NE2-NE2 3.45Å
585	C	96.4	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	150.3	168.8	-51.8	0	0	0	0	111.3	C564 T572 E587 C588 W589	C564-C585 WeakPolarHBondContact CB-SG 3.39Å; T572-C585 PolarHBondContact N-SG 3.41Å; T572-C585 VanDerWaalsContact O-CA 3.28Å; T572-C585 WeakPolarHBondContact O-CA 3.39Å; T572-C585 WeakPolarHBondContact O-CB 3.46Å; T572-C585 WeakPolarHBondContact OG1-CB 3.33Å; T572-C585 PolarHBondContact OG1-SG 2.87Å; T572-C585 VanDerWaalsContact OG1-SG 3.4Å; C585-E587 PolarHBondContact O-N 2.95Å; C585-C588 HydrophobicContact CB-CB 4.13Å; C585-C588 WeakPolarHBondContact O-CB 3.31Å; C585-C588 PolarHBondContact O-N 2.88Å; C585-W589 PolarHBondContact O-N 3.17Å
586	E	96.3	Very high	94.7	Very high	31 Å²	31	46.8 Å²	46.8	15%	0.145	23%	0.226	C	C	.	.	H	α-helix	trans	-48.7	-55.1	177.6	173.5	161.4	-150	0	0	113.1	Y444 T572 M573 L575 C588 W589 L590 R613	Y444-E586 HydrophobicContact CE1-CG 4.28Å; Y444-E586 WeakPolarHBondContact CE1-OE1 3.19Å; Y444-E586 VanDerWaalsContact CZ-OE1 3.27Å; Y444-E586 PolarHBondContact OH-OE1 3.22Å; T572-E586 PolarHBondContact O-N 3.06Å; M573-E586 HydrophobicContact CB-CB 4.09Å; M573-E586 WeakPolarHBondContact CB-OE2 3.45Å; M573-E586 VanDerWaalsContact CE-OE2 3.22Å; M573-E586 WeakPolarHBondContact CE-OE2 3.43Å; M573-E586 WeakPolarHBondContact O-CB 3.37Å; M573-E586 PolarHBondContact O-N 3.49Å; M573-E586 VanDerWaalsContact O-N 3.09Å; L575-E586 HydrophobicContact CD1-CB 4.05Å; L575-E586 HydrophobicContact CD1-CG 4.19Å; L575-E586 HydrophobicContact CD2-CB 4.31Å; L575-E586 HydrophobicContact CG-CB 4.1Å; E586-C588 VanDerWaalsContact C-N 3.3Å; E586-C588 PolarHBondContact O-N 3.34Å; E586-W589 PolarHBondContact O-N 2.87Å; E586-L590 HydrophobicContact CG-CD1 3.82Å; E586-L590 WeakPolarHBondContact O-CG 3.38Å; E586-L590 PolarHBondContact O-N 3.06Å; E586-R613 IonicContact OE1-CZ 2.73Å; E586-R613 IonicContact OE1-NH2 2.67Å; E586-R613 PolarHBondContact OE1-NH2 2.96Å; E586-R613 IonicContact OE2-CZ 2.72Å; E586-R613 IonicContact OE2-NH1 3.55Å; E586-R613 IonicContact OE2-NH2 2.72Å; E586-R613 PolarHBondContact OE2-NH2 3.44Å
587	E	96.1	Very high	94.6	Very high	100 Å²	100	50.8 Å²	50.8	47%	0.467	24%	0.242	S	C	.	.	H	α-helix	trans	-61.4	-35.7	176.5	-73.5	-164.4	-135.2	0	0	113.6	I450 C585 L590 R591	I450-E587 HydrophobicContact CD1-CB 4.33Å; I450-E587 HydrophobicContact CD1-CG 4.11Å; C585-E587 PolarHBondContact O-N 2.95Å; E587-L590 PolarHBondContact O-N 2.9Å; E587-R591 VanDerWaalsContact O-CB 3.23Å; E587-R591 WeakPolarHBondContact O-CB 3.45Å; E587-R591 WeakPolarHBondContact O-CD 3.29Å; E587-R591 WeakPolarHBondContact O-CG 3.41Å; E587-R591 PolarHBondContact O-N 3.35Å; E587-R591 IonicContact OE2-CZ 3.72Å; E587-R591 VanDerWaalsContact OE2-CZ 3.24Å; E587-R591 IonicContact OE2-NE 3.18Å; E587-R591 PolarHBondContact OE2-NE 3.29Å; E587-R591 IonicContact OE2-NH2 3.87Å; E587-R591 PolarHBondContact OE2-NH2 3.38Å
588	C	96.1	Very high	94.6	Very high	13 Å²	13	53.4 Å²	53.4	9%	0.088	26%	0.256	C	S	.	.	H	α-helix	trans	-67.9	-38.5	-178.3	-69	0	0	0	0	111.2	I566 H584 C585 E586 T592	I566-C588 HydrophobicContact CB-CB 3.98Å; I566-C588 HydrophobicContact CD1-CB 3.89Å; I566-C588 HydrophobicContact CG2-CB 3.93Å; H584-C588 HydrophobicContact CB-CB 4.18Å; C585-C588 HydrophobicContact CB-CB 4.13Å; C585-C588 WeakPolarHBondContact O-CB 3.31Å; C585-C588 PolarHBondContact O-N 2.88Å; E586-C588 VanDerWaalsContact C-N 3.3Å; E586-C588 PolarHBondContact O-N 3.34Å; C588-T592 WeakPolarHBondContact O-CB 3.5Å; C588-T592 PolarHBondContact O-N 3.1Å; C588-T592 PolarHBondContact O-OG1 2.95Å
589	W	96.6	Very high	94.7	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-55.2	169.5	-91.9	118.9	0	0	0	111.5	L575 H584 C585 E586 R591 T592 L593 C599 T606 L611	L575-W589 HydrophobicContact CD1-CB 4.42Å; L575-W589 PolarHBondContact O-NE1 3.42Å; H584-W589 HydrophobicContact CB-CG 4.2Å; C585-W589 PolarHBondContact O-N 3.17Å; E586-W589 PolarHBondContact O-N 2.87Å; W589-R591 VanDerWaalsContact C-N 3.34Å; W589-R591 PolarHBondContact O-N 2.97Å; W589-T592 WeakPolarHBondContact O-CB 3.38Å; W589-T592 PolarHBondContact O-N 3.06Å; W589-L593 HydrophobicContact CE3-CD1 4.3Å; W589-L593 HydrophobicContact CE3-CD2 4.34Å; W589-L593 HydrophobicContact CE3-CG 4.21Å; W589-L593 HydrophobicContact CZ3-CD2 4.36Å; W589-L593 WeakPolarHBondContact O-CG 3.36Å; W589-L593 PolarHBondContact O-N 3.5Å; W589-C599 HydrophobicContact CH2-CB 3.88Å; W589-C599 HydrophobicContact CZ3-CB 4.28Å; W589-T606 HydrophobicContact CE3-CG2 4.49Å; W589-T606 HydrophobicContact CH2-CG2 3.98Å; W589-T606 HydrophobicContact CZ3-CG2 3.68Å; W589-L611 HydrophobicContact CB-CD1 3.81Å; W589-L611 HydrophobicContact CD2-CD1 4.31Å; W589-L611 HydrophobicContact CD2-CD2 3.6Å; W589-L611 HydrophobicContact CE3-CD2 3.81Å; W589-L611 HydrophobicContact CG-CD1 4.03Å; W589-L611 HydrophobicContact CG-CD2 4.02Å; W589-L611 HydrophobicContact CH2-CD2 4.22Å; W589-L611 HydrophobicContact CZ2-CD2 4.06Å; W589-L611 HydrophobicContact CZ3-CD2 4.1Å
590	L	95.9	Very high	94.7	Very high	10 Å²	10	49 Å²	49	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-35.1	-172.1	-64.7	169.5	0	0	0	112.8	Y444 D448 I450 E586 E587 G594 L611	Y444-L590 HydrophobicContact CD1-CD1 4.33Å; Y444-L590 HydrophobicContact CD1-CD2 4.11Å; Y444-L590 HydrophobicContact CE1-CD1 4.22Å; D448-L590 HydrophobicContact CB-CD2 4.32Å; I450-L590 HydrophobicContact CD1-CB 4.06Å; I450-L590 HydrophobicContact CG1-CB 4.08Å; I450-L590 PolarHBondContact N-O 3.11Å; E586-L590 HydrophobicContact CG-CD1 3.82Å; E586-L590 WeakPolarHBondContact O-CG 3.38Å; E586-L590 PolarHBondContact O-N 3.06Å; E587-L590 PolarHBondContact O-N 2.9Å; L590-G594 PolarHBondContact O-N 3.17Å; L590-L611 HydrophobicContact CD2-CD1 4.48Å
591	R	95.3	Very high	94.7	Very high	125 Å²	125	51.6 Å²	51.6	47%	0.472	25%	0.249	S	C	.	.	H	α-helix	trans	-69.1	-36.1	171.6	-67.6	167.8	-173.3	-79.1	4.4	112.3	I450 E587 W589	I450-R591 HydrophobicContact CB-CG 3.86Å; I450-R591 HydrophobicContact CD1-CG 3.91Å; I450-R591 HydrophobicContact CG1-CG 4.49Å; I450-R591 HydrophobicContact CG2-CG 3.8Å; E587-R591 VanDerWaalsContact O-CB 3.23Å; E587-R591 WeakPolarHBondContact O-CB 3.45Å; E587-R591 WeakPolarHBondContact O-CD 3.29Å; E587-R591 WeakPolarHBondContact O-CG 3.41Å; E587-R591 PolarHBondContact O-N 3.35Å; E587-R591 IonicContact OE2-CZ 3.72Å; E587-R591 VanDerWaalsContact OE2-CZ 3.24Å; E587-R591 IonicContact OE2-NE 3.18Å; E587-R591 PolarHBondContact OE2-NE 3.29Å; E587-R591 IonicContact OE2-NH2 3.87Å; E587-R591 PolarHBondContact OE2-NH2 3.38Å; W589-R591 VanDerWaalsContact C-N 3.34Å; W589-R591 PolarHBondContact O-N 2.97Å
592	T	94.7	Very high	94.7	Very high	32 Å²	32	46.7 Å²	46.7	20%	0.196	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-49	175.4	-59.8	0	0	0	0	110.7	C588 W589 G594 N595 K596 P600	C588-T592 WeakPolarHBondContact O-CB 3.5Å; C588-T592 PolarHBondContact O-N 3.1Å; C588-T592 PolarHBondContact O-OG1 2.95Å; W589-T592 WeakPolarHBondContact O-CB 3.38Å; W589-T592 PolarHBondContact O-N 3.06Å; T592-G594 PolarHBondContact O-N 2.9Å; T592-N595 PolarHBondContact O-N 3.22Å; T592-K596 PolarHBondContact O-N 2.82Å; T592-K596 VanDerWaalsContact O-O 3.1Å; T592-P600 HydrophobicContact CG2-CB 3.9Å; T592-P600 HydrophobicContact CG2-CG 3.97Å
593	L	94.6	Very high	94.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-16.5	-178.9	-62.6	-174.4	0	0	0	113.8	I449 W589 N595 K596 K597 T606 P608 L611	I449-L593 HydrophobicContact CD1-CB 4.36Å; W589-L593 HydrophobicContact CE3-CD1 4.3Å; W589-L593 HydrophobicContact CE3-CD2 4.34Å; W589-L593 HydrophobicContact CE3-CG 4.21Å; W589-L593 HydrophobicContact CZ3-CD2 4.36Å; W589-L593 WeakPolarHBondContact O-CG 3.36Å; W589-L593 PolarHBondContact O-N 3.5Å; L593-N595 VanDerWaalsContact C-N 3.34Å; L593-K596 WeakPolarHBondContact CA-O 3.07Å; L593-K597 PolarHBondContact O-NZ 2.85Å; L593-T606 HydrophobicContact CD1-CG2 4.49Å; L593-T606 HydrophobicContact CD2-CG2 4.42Å; L593-T606 VanDerWaalsContact CD2-O 3.28Å; L593-T606 WeakPolarHBondContact CD2-O 3.29Å; L593-P608 HydrophobicContact CD1-CG 4.16Å; L593-L611 HydrophobicContact CD1-CD1 3.88Å; L593-L611 HydrophobicContact CD1-CG 4.41Å
594	G	91.9	Very high	94.6	Very high	32 Å²	32	50.8 Å²	50.8	33%	0.33	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-19.3	168.5	0	0	0	0	0	114.8	L590 T592	L590-G594 PolarHBondContact O-N 3.17Å; T592-G594 PolarHBondContact O-N 2.9Å
595	N	89.8	Confident	94.6	Very high	110 Å²	110	57 Å²	57	59%	0.588	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-47.2	176.7	-168.1	-37.9	0	0	0	111.2	T592 L593	T592-N595 PolarHBondContact O-N 3.22Å; L593-N595 VanDerWaalsContact C-N 3.34Å
596	K	87.2	Confident	94.5	Very high	122 Å²	122	57 Å²	57	53%	0.53	30%	0.295	S	S	.	.			trans	-140.7	123.5	-174.1	-60	176	-174.1	173.4	0	109.4	T592 L593 L598	T592-K596 PolarHBondContact O-N 2.82Å; T592-K596 VanDerWaalsContact O-O 3.1Å; L593-K596 WeakPolarHBondContact CA-O 3.07Å; K596-L598 HydrophobicContact CB-CB 4.48Å; K596-L598 HydrophobicContact CB-CD1 4.38Å; K596-L598 HydrophobicContact CB-CG 4.35Å; K596-L598 PolarHBondContact O-N 3.48Å
597	K	93.6	Very high	94.4	Very high	91 Å²	91	57.5 Å²	57.5	40%	0.396	30%	0.301	S	S	.	.	S	Bend	trans	-73.4	43.8	178.7	-55.2	-66.5	179.1	-178.6	0	112.9	E446 L593 T606	E446-K597 IonicContact OE1-NZ 2.98Å; E446-K597 IonicContact OE2-NZ 3.24Å; E446-K597 PolarHBondContact OE2-NZ 3.13Å; L593-K597 PolarHBondContact O-NZ 2.85Å; K597-T606 CarbonylContact C-O 3.45Å; K597-T606 VanDerWaalsContact C-O 3.25Å; K597-T606 PolarHBondContact O-N 2.88Å; K597-T606 VanDerWaalsContact O-O 3.13Å
598	L	95.4	Very high	94.3	Very high	56 Å²	56	52.8 Å²	52.8	29%	0.293	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-136.6	148.5	-167.4	-52.1	176.5	0	0	0	109.6	K596 T604 I605	K596-L598 HydrophobicContact CB-CB 4.48Å; K596-L598 HydrophobicContact CB-CD1 4.38Å; K596-L598 HydrophobicContact CB-CG 4.35Å; K596-L598 PolarHBondContact O-N 3.48Å; L598-T604 CarbonylContact C-O 3.54Å; L598-T604 WeakPolarHBondContact CA-O 3.46Å; L598-I605 HydrophobicContact CD2-CG1 3.91Å
599	C	95.9	Very high	94.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.287	C	S	.	.			trans	-64.7	127.8	171.9	176.1	0	0	0	0	111.3	C580 W589 Q601 C602 N603 T604	C580-C599 PolarHBondContact SG-SG 3.42Å; W589-C599 HydrophobicContact CH2-CB 3.88Å; W589-C599 HydrophobicContact CZ3-CB 4.28Å; C599-Q601 PolarHBondContact O-N 3.05Å; C599-Q601 VanDerWaalsContact O-N 3.16Å; C599-C602 PolarHBondContact O-N 3.22Å; C599-C602 VanDerWaalsContact SG-SG 3.63Å; C599-N603 VanDerWaalsContact O-CA 3.3Å; C599-N603 WeakPolarHBondContact O-CA 3.4Å; C599-N603 PolarHBondContact O-N 3.3Å; C599-T604 PolarHBondContact N-O 2.58Å
600	P	93.4	Very high	94.2	Very high	45 Å²	45	54.4 Å²	54.4	29%	0.292	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-12.6	-178.3	18.9	-25.7	0	0	0	115.5	I566 T592	I566-P600 HydrophobicContact CD1-CB 3.81Å; I566-P600 HydrophobicContact CD1-CG 3.59Å; T592-P600 HydrophobicContact CG2-CB 3.9Å; T592-P600 HydrophobicContact CG2-CG 3.97Å
601	Q	94.4	Very high	94.2	Very high	76 Å²	76	54 Å²	54	36%	0.355	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-42.3	174.7	-74.8	179.7	48.9	0	0	113.5	L565 H582 H584 C599	L565-Q601 HydrophobicContact CD1-CG 4.28Å; H582-Q601 HydrophobicContact CB-CB 4.34Å; H582-Q601 PolarHBondContact CD2-OE1 2.98Å; H584-Q601 PolarHBondContact CE1-NE2 3.42Å; H584-Q601 VanDerWaalsContact CE1-NE2 3.28Å; H584-Q601 WeakPolarHBondContact NE2-CG 3.3Å; H584-Q601 PolarHBondContact NE2-NE2 3.45Å; C599-Q601 PolarHBondContact O-N 3.05Å; C599-Q601 VanDerWaalsContact O-N 3.16Å
602	C	95.9	Very high	94.1	Very high	50 Å²	50	49.5 Å²	49.5	34%	0.338	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-0.8	-169.3	65.4	0	0	0	0	115.2	H582 C599 T604	H582-C602 PolarHBondContact CE1-SG 3.01Å; H582-C602 PolarHBondContact ND1-SG 3.39Å; C599-C602 PolarHBondContact O-N 3.22Å; C599-C602 VanDerWaalsContact SG-SG 3.63Å; C602-T604 PolarHBondContact O-N 2.95Å; C602-T604 PolarHBondContact SG-OG1 3.26Å
603	N	95.1	Very high	94.2	Very high	110 Å²	110	52.9 Å²	52.9	59%	0.588	28%	0.283	S	S	*	.			trans	57.2	12.7	-175.8	-57.4	-59.6	0	0	0	115.9	C599	C599-N603 VanDerWaalsContact O-CA 3.3Å; C599-N603 WeakPolarHBondContact O-CA 3.4Å; C599-N603 PolarHBondContact O-N 3.3Å
604	T	96.3	Very high	94.1	Very high	62 Å²	62	54.9 Å²	54.9	38%	0.38	30%	0.295	S	S	.	.			trans	-58.4	138.1	167.5	-56.8	0	0	0	0	109.5	Q579 C580 L598 C599 C602 T606	Q579-T604 HydrophobicContact CB-CG2 4.43Å; C580-T604 HydrophobicContact CB-CG2 4.35Å; L598-T604 CarbonylContact C-O 3.54Å; L598-T604 WeakPolarHBondContact CA-O 3.46Å; C599-T604 PolarHBondContact N-O 2.58Å; C602-T604 PolarHBondContact O-N 2.95Å; C602-T604 PolarHBondContact SG-OG1 3.26Å; T604-T606 PolarHBondContact O-N 3.32Å; T604-T606 PolarHBondContact O-OG1 3.03Å
605	I	95.4	Very high	94	Very high	131 Å²	131	64.1 Å²	64.1	67%	0.672	32%	0.322	S	S	*	.	B	Isolated β-bridge	trans	-57.7	135.4	176.7	-60	171.5	0	0	0	109.3	L598	L598-I605 HydrophobicContact CD2-CG1 3.91Å
606	T	95.6	Very high	93.7	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	33%	0.325	C	S	.	.			trans	-152.5	127.9	-177.8	-68	0	0	0	0	108.9	S577 W589 L593 K597 T604 D610 L611	S577-T606 WeakPolarHBondContact OG-CG2 3.3Å; S577-T606 PolarHBondContact OG-OG1 2.9Å; W589-T606 HydrophobicContact CE3-CG2 4.49Å; W589-T606 HydrophobicContact CH2-CG2 3.98Å; W589-T606 HydrophobicContact CZ3-CG2 3.68Å; L593-T606 HydrophobicContact CD1-CG2 4.49Å; L593-T606 HydrophobicContact CD2-CG2 4.42Å; L593-T606 VanDerWaalsContact CD2-O 3.28Å; L593-T606 WeakPolarHBondContact CD2-O 3.29Å; K597-T606 CarbonylContact C-O 3.45Å; K597-T606 VanDerWaalsContact C-O 3.25Å; K597-T606 PolarHBondContact O-N 2.88Å; K597-T606 VanDerWaalsContact O-O 3.13Å; T604-T606 PolarHBondContact O-N 3.32Å; T604-T606 PolarHBondContact O-OG1 3.03Å; T606-D610 HydrophobicContact CG2-CB 4.13Å; T606-L611 HydrophobicContact CG2-CD2 4.05Å
607	S	94.4	Very high	94	Very high	41 Å²	41	61.9 Å²	61.9	29%	0.287	31%	0.314	S	S	.	.			trans	-96.8	167.3	170.6	74	0	0	0	0	110.6	G609 D610	S607-G609 PolarHBondContact O-N 2.9Å; S607-G609 PolarHBondContact OG-N 2.72Å; S607-D610 WeakPolarHBondContact CA-OD2 3.34Å; S607-D610 WeakPolarHBondContact CB-OD2 3.01Å; S607-D610 PolarHBondContact N-OD2 3.07Å; S607-D610 WeakPolarHBondContact O-CB 3.4Å; S607-D610 PolarHBondContact O-N 3.06Å; S607-D610 PolarHBondContact OG-N 3.43Å; S607-D610 PolarHBondContact OG-OD2 3.14Å
608	P	93.9	Very high	94	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-59.6	-34.2	168	-20.7	33.3	0	0	0	111.7	Y444 T445 E446 I449 L593 D610 L611	Y444-P608 WeakPolarHBondContact CB-O 3.23Å; T445-P608 VanDerWaalsContact O-CB 3.31Å; T445-P608 WeakPolarHBondContact O-CB 3.42Å; T445-P608 WeakPolarHBondContact O-CG 3.45Å; E446-P608 WeakPolarHBondContact OE1-CD 3.41Å; I449-P608 HydrophobicContact CD1-CG 3.53Å; I449-P608 HydrophobicContact CG1-CG 3.55Å; L593-P608 HydrophobicContact CD1-CG 4.16Å; P608-D610 PolarHBondContact O-N 3.29Å; P608-D610 VanDerWaalsContact O-N 3.09Å; P608-L611 WeakPolarHBondContact O-CB 3.44Å; P608-L611 PolarHBondContact O-N 2.7Å
609	G	94.3	Very high	93.9	Very high	24 Å²	24	60.6 Å²	60.6	25%	0.247	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-60.2	-20.3	178.4	0	0	0	0	0	114.3	S607 R612	S607-G609 PolarHBondContact O-N 2.9Å; S607-G609 PolarHBondContact OG-N 2.72Å; G609-R612 PolarHBondContact O-NH1 3Å
610	D	94.6	Very high	93.8	Very high	24 Å²	24	64.2 Å²	64.2	13%	0.128	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-83.9	-11.8	175.2	-61	-63.7	0	0	0	113.7	I578 Q579 T606 S607 P608	I578-D610 HydrophobicContact CG1-CB 4.03Å; I578-D610 WeakPolarHBondContact CG1-O 3.44Å; I578-D610 PolarHBondContact N-O 2.85Å; Q579-D610 HydrophobicContact CG-CB 4.03Å; Q579-D610 WeakPolarHBondContact CG-OD1 3.48Å; Q579-D610 PolarHBondContact NE2-OD1 2.73Å; T606-D610 HydrophobicContact CG2-CB 4.13Å; S607-D610 WeakPolarHBondContact CA-OD2 3.34Å; S607-D610 WeakPolarHBondContact CB-OD2 3.01Å; S607-D610 PolarHBondContact N-OD2 3.07Å; S607-D610 WeakPolarHBondContact O-CB 3.4Å; S607-D610 PolarHBondContact O-N 3.06Å; S607-D610 PolarHBondContact OG-N 3.43Å; S607-D610 PolarHBondContact OG-OD2 3.14Å; P608-D610 PolarHBondContact O-N 3.29Å; P608-D610 VanDerWaalsContact O-N 3.09Å
611	L	95.8	Very high	93.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	137.8	-174.7	-57.5	-177.8	0	0	0	111.9	Y444 L575 T576 W589 L590 L593 T606 P608	Y444-L611 HydrophobicContact CD2-CB 3.81Å; Y444-L611 HydrophobicContact CE2-CB 4.4Å; L575-L611 HydrophobicContact CB-CB 4.5Å; L575-L611 HydrophobicContact CD1-CB 4.22Å; L575-L611 HydrophobicContact CD1-CD1 3.94Å; T576-L611 CarbonylContact O-C 3.58Å; T576-L611 WeakPolarHBondContact O-CA 3.42Å; W589-L611 HydrophobicContact CB-CD1 3.81Å; W589-L611 HydrophobicContact CD2-CD1 4.31Å; W589-L611 HydrophobicContact CD2-CD2 3.6Å; W589-L611 HydrophobicContact CE3-CD2 3.81Å; W589-L611 HydrophobicContact CG-CD1 4.03Å; W589-L611 HydrophobicContact CG-CD2 4.02Å; W589-L611 HydrophobicContact CH2-CD2 4.22Å; W589-L611 HydrophobicContact CZ2-CD2 4.06Å; W589-L611 HydrophobicContact CZ3-CD2 4.1Å; L590-L611 HydrophobicContact CD2-CD1 4.48Å; L593-L611 HydrophobicContact CD1-CD1 3.88Å; L593-L611 HydrophobicContact CD1-CG 4.41Å; T606-L611 HydrophobicContact CG2-CD2 4.05Å; P608-L611 WeakPolarHBondContact O-CB 3.44Å; P608-L611 PolarHBondContact O-N 2.7Å
612	R	95.1	Very high	93.8	Very high	31 Å²	31	64.7 Å²	64.7	12%	0.117	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.9	174.9	-64.3	-63.7	179.8	-75.9	-2.9	110.9	Y439 G440 L575 T576 I578 G609	Y439-R612 PolarHBondContact O-NE 2.82Å; G440-R612 PolarHBondContact O-NH2 3.39Å; L575-R612 CarbonylContact C-O 3.25Å; L575-R612 VanDerWaalsContact CA-O 3.28Å; L575-R612 WeakPolarHBondContact CA-O 3.47Å; T576-R612 HydrophobicContact CG2-CB 4.46Å; T576-R612 PolarHBondContact N-O 3.36Å; T576-R612 PolarHBondContact O-N 3.23Å; I578-R612 HydrophobicContact CG2-CG 3.83Å; G609-R612 PolarHBondContact O-NH1 3Å
613	R	95.1	Very high	93.6	Very high	104 Å²	104	65.7 Å²	65.7	39%	0.392	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	133.7	172.5	-71.3	170	171.1	-88.7	-5.5	110.4	Y444 L575 E586	Y444-R613 HydrophobicContact CE2-CG 4.35Å; Y444-R613 PolarHBondContact OH-NE 2.72Å; Y444-R613 PolarHBondContact OH-NH2 3.08Å; Y444-R613 VanDerWaalsContact OH-NH2 3.08Å; L575-R613 HydrophobicContact CD2-CB 4.16Å; L575-R613 HydrophobicContact CD2-CG 3.41Å; L575-R613 VanDerWaalsContact CD2-CG 3.41Å; E586-R613 IonicContact OE1-CZ 2.73Å; E586-R613 IonicContact OE1-NH2 2.67Å; E586-R613 PolarHBondContact OE1-NH2 2.96Å; E586-R613 IonicContact OE2-CZ 2.72Å; E586-R613 IonicContact OE2-NH1 3.55Å; E586-R613 IonicContact OE2-NH2 2.72Å; E586-R613 PolarHBondContact OE2-NH2 3.44Å
614	V	93.3	Very high	93.5	Very high	42 Å²	42	62.3 Å²	62.3	26%	0.255	31%	0.309	S	S	.	.			trans	-126.3	172.4	175.6	-63	0	0	0	0	110.9	P574 T576 V583 L616	P574-V614 HydrophobicContact CB-CG2 3.93Å; P574-V614 HydrophobicContact CG-CG2 4.21Å; P574-V614 WeakPolarHBondContact O-CG2 3.25Å; P574-V614 PolarHBondContact O-N 2.99Å; T576-V614 HydrophobicContact CG2-CG1 3.66Å; V583-V614 HydrophobicContact CG1-CG2 4.16Å; V614-L616 HydrophobicContact CG2-CD2 4.44Å
615	Y	90.1	Very high	93.3	Very high	225 Å²	225	62.3 Å²	62.3	88%	0.882	30%	0.304	S	S	*	.			trans	-124.3	144.9	171.3	-58.1	-85.1	0	0	0	108.2
616	L	82.3	Confident	93.1	Very high	124 Å²	124	56.1 Å²	56.1	65%	0.649	27%	0.27	S	S	*	.			trans	-129.8	0	-171.1	-61.8	177.9	0	0	0	111.5	Y571 P574 V583 V614	Y571-L616 HydrophobicContact CD1-CD1 4.27Å; Y571-L616 HydrophobicContact CD2-CD1 3.41Å; Y571-L616 VanDerWaalsContact CD2-CD1 3.41Å; Y571-L616 HydrophobicContact CE2-CD1 3.86Å; Y571-L616 HydrophobicContact CG-CD1 3.67Å; P574-L616 HydrophobicContact CB-CD1 3.82Å; P574-L616 HydrophobicContact CB-CG 4.31Å; P574-L616 HydrophobicContact CG-CD1 3.87Å; P574-L616 HydrophobicContact CG-CG 4Å; V583-L616 HydrophobicContact CG1-CD1 4.21Å; V614-L616 HydrophobicContact CG2-CD2 4.44Å

Retrieved 616 of 616 residues in 642.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).