A0A077YWH9_TRITR Loading...

TsJ5

AlphaFold DB , UniProt , Accession A0A077YWH9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 739 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.2	Very low	47.1	Very low	253 Å²	253	150.7 Å²	150.7	100%	1.246	88%	0.881	S	S	*	*				0	126.6	0	-79.6	-177.1	169.2	0	0	107.1
2	G	51.3	Low	48.1	Very low	77 Å²	77	147.8 Å²	147.8	79%	0.794	87%	0.869	S	S	*	*			trans	108.7	65.6	-178.6	0	0	0	0	0	113.4
3	D	52	Low	47.8	Very low	162 Å²	162	154.8 Å²	154.8	87%	0.866	87%	0.872	S	S	*	*			trans	-71.3	132.5	173.4	-74	-52	0	0	0	111.6
4	T	44.8	Very low	48	Very low	136 Å²	136	161.6 Å²	161.6	83%	0.834	88%	0.877	S	S	*	*			trans	-78	126.3	168.9	43	0	0	0	0	110.3
5	R	48.6	Very low	47.5	Very low	248 Å²	248	156.2 Å²	156.2	94%	0.936	87%	0.874	S	S	*	*			trans	-99	110.4	173.2	-83.7	-168.6	177.1	-176.4	1.1	111.9
6	V	47.2	Very low	47.3	Very low	122 Å²	122	151.5 Å²	151.5	74%	0.739	87%	0.872	S	S	*	*			trans	-62.9	132.8	168	-179.7	0	0	0	0	110.5	R8	V6-R8 HydrophobicContact CG1-CG 4.15Å
7	A	52.3	Low	47	Very low	103 Å²	103	146.9 Å²	146.9	85%	0.851	87%	0.865	S	S	*	*			trans	-106.9	92.3	166.7	0	0	0	0	0	109.7
8	R	44.8	Very low	47.1	Very low	237 Å²	237	150.9 Å²	150.9	89%	0.894	87%	0.87	S	S	*	*			trans	-81.7	150.8	172.4	-99.6	-178.8	172.1	171.1	-3	110.8	V6	V6-R8 HydrophobicContact CG1-CG 4.15Å
9	G	40.5	Very low	46.8	Very low	86 Å²	86	146.9 Å²	146.9	89%	0.887	87%	0.865	S	S	*	*			trans	-59.3	168.6	-168.4	0	0	0	0	0	118.2
10	G	43.9	Very low	46.6	Very low	78 Å²	78	143.3 Å²	143.3	80%	0.804	86%	0.86	S	S	*	*			trans	-147.4	93.4	173.4	0	0	0	0	0	110.8
11	N	46.9	Very low	46.7	Very low	156 Å²	156	142.2 Å²	142.2	83%	0.834	86%	0.856	S	S	*	*			trans	-104.3	112.7	174.7	-174.8	6.4	0	0	0	109.8	R13	N11-R13 PolarHBondContact O-N 3.07Å
12	P	58.8	Low	46.5	Very low	115 Å²	115	135.5 Å²	135.5	75%	0.747	83%	0.825	S	S	*	*			trans	-88.3	103	179.3	32.8	-30.9	0	0	0	112.2	R14	P12-R14 PolarHBondContact O-N 3.41Å
13	R	44.3	Very low	46.4	Very low	239 Å²	239	138 Å²	138	90%	0.902	83%	0.831	S	S	*	*			trans	-63.1	122.4	155.8	-82.6	-177.2	167.8	-170.1	-3.4	110	N11	N11-R13 PolarHBondContact O-N 3.07Å
14	R	51	Low	45.9	Very low	250 Å²	250	141 Å²	141	94%	0.943	83%	0.83	S	S	*	*			trans	173	129.2	150.9	-97.5	160.6	-176.5	-136.8	-1.1	106.3	P12	P12-R14 PolarHBondContact O-N 3.41Å
15	G	39.8	Very low	45.7	Very low	81 Å²	81	137.8 Å²	137.8	84%	0.835	82%	0.824	S	S	*	*			cis	105.7	99.6	28.4	0	0	0	0	0	108.1
16	G	45	Very low	45.4	Very low	81 Å²	81	138.2 Å²	138.2	84%	0.835	83%	0.826	S	S	*	*			trans	171.7	96.8	-177.3	0	0	0	0	0	112.6
17	G	41.8	Very low	45.2	Very low	73 Å²	73	138 Å²	138	75%	0.753	83%	0.825	S	S	*	*			trans	-92.7	139.2	166.7	0	0	0	0	0	111.3
18	F	48.5	Very low	44.7	Very low	220 Å²	220	140.9 Å²	140.9	97%	0.965	83%	0.826	S	S	*	*			trans	-162.9	143.7	166.1	-89.1	-85.1	0	0	0	105
19	G	41.9	Very low	44.8	Very low	75 Å²	75	133.1 Å²	133.1	77%	0.773	82%	0.82	S	S	*	*			cis	148	56.4	2.8	0	0	0	0	0	113.1
20	G	42.1	Very low	45.2	Very low	74 Å²	74	138.3 Å²	138.3	76%	0.763	82%	0.818	S	S	*	*			trans	67.7	-175.2	173.3	0	0	0	0	0	116.7
21	P	49.5	Very low	45.3	Very low	120 Å²	120	140.4 Å²	140.4	78%	0.779	82%	0.821	S	S	*	*			cis	-130.2	-176	1.4	42.7	-27.4	0	0	0	115.7
22	D	42	Very low	45.3	Very low	112 Å²	112	136 Å²	136	60%	0.599	81%	0.812	S	S	*	*			trans	-21.8	141.7	171.1	-67	-103.4	0	0	0	119.1	R24	D22-R24 IonicContact OD1-CZ 3.91Å; D22-R24 IonicContact OD1-NE 3.21Å; D22-R24 PolarHBondContact OD1-NE 2.9Å; D22-R24 IonicContact OD1-NH2 3.77Å
23	S	49.2	Very low	44.8	Very low	129 Å²	129	140.9 Å²	140.9	90%	0.902	82%	0.822	S	S	*	*			trans	-141.2	78.4	151	-75.9	0	0	0	0	110.8
24	R	41	Very low	44.9	Very low	225 Å²	225	132.7 Å²	132.7	85%	0.849	81%	0.811	S	S	*	*			trans	-71.3	131.1	174.9	-61.6	177.4	-171.4	-166.7	-4.9	111.1	D22	D22-R24 IonicContact OD1-CZ 3.91Å; D22-R24 IonicContact OD1-NE 3.21Å; D22-R24 PolarHBondContact OD1-NE 2.9Å; D22-R24 IonicContact OD1-NH2 3.77Å
25	G	40.9	Very low	45.3	Very low	70 Å²	70	126.6 Å²	126.6	72%	0.722	81%	0.805	S	S	*	*			trans	104	115	142.5	0	0	0	0	0	117.3
26	R	41.3	Very low	45.9	Very low	257 Å²	257	133.1 Å²	133.1	97%	0.97	81%	0.81	S	S	*	*			trans	-150.9	113.3	130.2	-109	168.2	-164.4	-144.8	2.5	111
27	T	43.7	Very low	46	Very low	117 Å²	117	133.1 Å²	133.1	72%	0.718	81%	0.81	S	S	*	*			trans	-92.4	155	175.5	51.6	0	0	0	0	111.7
28	N	42.4	Very low	46.2	Very low	164 Å²	164	133.4 Å²	133.4	88%	0.877	81%	0.813	S	S	*	*			trans	74.2	125.7	153.1	-61.2	-25.6	0	0	0	119.9
29	G	46.5	Very low	46.2	Very low	74 Å²	74	131.4 Å²	131.4	76%	0.763	81%	0.812	S	S	*	*			trans	149.2	72.3	169.8	0	0	0	0	0	110.6
30	K	48.4	Very low	46.5	Very low	194 Å²	194	131.8 Å²	131.8	84%	0.843	82%	0.816	S	S	*	*				77.6	121.5	58	-164.2	177	-176.9	177.9	0	112.9
31	S	46.3	Very low	46.7	Very low	123 Å²	123	131.8 Å²	131.8	86%	0.86	82%	0.816	S	S	*	*			trans	66.9	139.9	176.8	65.1	0	0	0	0	117.1
32	G	47.7	Very low	46.7	Very low	63 Å²	63	131.2 Å²	131.2	65%	0.649	82%	0.815	S	S	*	*			cis	160.2	173.8	-7	0	0	0	0	0	113.1
33	F	48	Very low	47.2	Very low	217 Å²	217	132.1 Å²	132.1	95%	0.952	83%	0.825	S	S	*	*			trans	64.2	136.4	172.3	-67.4	-98.5	0	0	0	117
34	G	46.6	Very low	47.1	Very low	67 Å²	67	135.9 Å²	135.9	69%	0.691	83%	0.826	S	S	*	*			cis	-177.7	173.6	-1	0	0	0	0	0	112.4
35	P	58.3	Low	47.4	Very low	123 Å²	123	129 Å²	129	80%	0.799	82%	0.824	S	S	*	*			trans	-101	157.2	-165.3	38.2	-35.5	0	0	0	115.2
36	K	52.8	Low	47.6	Very low	217 Å²	217	129.8 Å²	129.8	94%	0.943	83%	0.832	S	S	*	*			trans	170.2	140.5	156.9	-96.3	158.9	-178	-174.1	0	106.5
37	G	46.9	Very low	47.9	Very low	81 Å²	81	121.2 Å²	121.2	84%	0.835	82%	0.824	S	S	*	*			cis	157.7	139.2	-0.3	0	0	0	0	0	108.1
38	G	46.9	Very low	48.1	Very low	79 Å²	79	122.3 Å²	122.3	81%	0.814	83%	0.833	S	S	*	*			trans	176.3	98.5	-176.2	0	0	0	0	0	112.1
39	D	47.4	Very low	48.4	Very low	178 Å²	178	118.5 Å²	118.5	95%	0.952	83%	0.833	S	S	*	*			trans	-82.5	149.2	-176.4	-73.9	-74.7	0	0	0	113.8
40	G	48.7	Very low	48.5	Very low	83 Å²	83	118.9 Å²	118.9	86%	0.856	84%	0.837	S	S	*	*			trans	132.2	124.5	166	0	0	0	0	0	113.2
41	G	47	Very low	48.4	Very low	75 Å²	75	113.6 Å²	113.6	77%	0.773	84%	0.838	S	S	*	*			cis	156.7	92.4	-4.4	0	0	0	0	0	112.7
42	S	49.7	Very low	48.4	Very low	108 Å²	108	119.4 Å²	119.4	76%	0.755	84%	0.841	S	S	*	*			trans	162.9	114.2	159.7	39.8	0	0	0	0	108.2
43	T	51.2	Low	48.4	Very low	131 Å²	131	120 Å²	120	80%	0.804	85%	0.846	S	S	*	*				47.8	108.5	84.6	65.6	0	0	0	0	112.5
44	F	47.9	Very low	48.4	Very low	208 Å²	208	116.9 Å²	116.9	91%	0.912	84%	0.84	S	S	*	*				-173.9	140.3	70.3	-158.3	-99.5	0	0	0	112.8
45	G	46.4	Very low	48.6	Very low	79 Å²	79	123.5 Å²	123.5	81%	0.814	85%	0.85	S	S	*	*			trans	70.1	140.5	163.7	0	0	0	0	0	117.8
46	G	46.6	Very low	48.1	Very low	87 Å²	87	129.8 Å²	129.8	90%	0.897	86%	0.858	S	S	*	*			cis	139.5	88.5	0.1	0	0	0	0	0	112
47	G	47	Very low	48	Very low	78 Å²	78	122.2 Å²	122.2	80%	0.804	84%	0.841	S	S	*	*			trans	-179.8	104.4	176.7	0	0	0	0	0	114.1
48	P	48.3	Very low	48.3	Very low	139 Å²	139	128.3 Å²	128.3	90%	0.903	85%	0.845	S	S	*	*			trans	-104.4	137.2	178.1	35.9	-28.9	0	0	0	113.2
49	G	47.3	Very low	48.2	Very low	84 Å²	84	136.5 Å²	136.5	87%	0.866	85%	0.851	S	S	*	*			trans	142.4	136.8	170.7	0	0	0	0	0	111.3
50	G	50.1	Low	48.4	Very low	83 Å²	83	131.7 Å²	131.7	86%	0.856	84%	0.843	S	S	*	*			cis	172.6	160.9	-3.6	0	0	0	0	0	109.7
51	G	45.2	Very low	48.3	Very low	83 Å²	83	135.4 Å²	135.4	86%	0.856	84%	0.844	S	S	*	*			trans	103.2	79.5	173.1	0	0	0	0	0	115.5
52	R	47.2	Very low	48.6	Very low	244 Å²	244	141.3 Å²	141.3	92%	0.921	85%	0.849	S	S	*	*			trans	-80.7	125.4	150.4	-73.1	-177.3	175	-173	-2.5	107.8
53	G	47.3	Very low	48.5	Very low	75 Å²	75	145.4 Å²	145.4	77%	0.773	86%	0.856	S	S	*	*			trans	-108.4	99.6	171.9	0	0	0	0	0	110.8	F55	G53-F55 PolarHBondContact O-N 3.17Å
54	D	48.3	Very low	48.4	Very low	152 Å²	152	141.9 Å²	141.9	81%	0.813	85%	0.845	S	S	*	*			trans	-76.9	112.8	173.3	-70.6	-70.4	0	0	0	110.8
55	F	50.7	Low	48.4	Very low	206 Å²	206	144.2 Å²	144.2	90%	0.904	85%	0.848	S	S	*	*			trans	-117.6	68.5	168.8	-111	-91.2	0	0	0	112.7	G53	G53-F55 PolarHBondContact O-N 3.17Å
56	R	48.4	Very low	48.4	Very low	256 Å²	256	144.2 Å²	144.2	97%	0.966	85%	0.848	S	S	*	*			trans	-90.7	92.9	159.9	-85	-175	170	-178.7	-0.6	109.7
57	G	49.2	Very low	48.3	Very low	58 Å²	58	144.3 Å²	144.3	60%	0.598	85%	0.849	S	S	*	*			trans	-129.8	95.5	-171.6	0	0	0	0	0	115.8
58	K	54	Low	48.5	Very low	208 Å²	208	148.8 Å²	148.8	90%	0.904	85%	0.851	S	S	*	*			trans	59.7	113.5	153.3	-63.9	-177.8	178.5	176.5	0	120.3
59	R	45.2	Very low	48.6	Very low	252 Å²	252	152 Å²	152	95%	0.951	85%	0.851	S	S	*	*			trans	-59.6	141.3	153.3	-60.7	171.9	177.4	170.8	-2.6	111.4
60	G	50.3	Low	48.7	Very low	76 Å²	76	155.5 Å²	155.5	78%	0.784	85%	0.848	S	S	*	*			trans	-130.7	120.1	162.7	0	0	0	0	0	110.8
61	N	46.7	Very low	48.5	Very low	162 Å²	162	163.1 Å²	163.1	87%	0.866	85%	0.851	S	S	*	*			trans	-76.4	133.9	170.9	-77.9	-12.8	0	0	0	109.6
62	F	53.5	Low	48.4	Very low	199 Å²	199	163 Å²	163	87%	0.873	85%	0.85	S	S	*	*			trans	-132.9	107.6	155.2	-158.8	-107.2	0	0	0	112
63	Q	48.9	Very low	48.2	Very low	194 Å²	194	155.3 Å²	155.3	91%	0.907	85%	0.846	S	S	*	*			trans	-91.3	101.9	167	-70.5	179.5	-38.1	0	0	108.2
64	G	48.2	Very low	48	Very low	56 Å²	56	155.3 Å²	155.3	58%	0.577	85%	0.846	S	S	*	*			trans	-118	113.4	177.7	0	0	0	0	0	111.8
65	R	47.7	Very low	47.9	Very low	257 Å²	257	154.9 Å²	154.9	97%	0.97	84%	0.839	S	S	*	*			trans	-92.9	133.1	173.1	-73.2	179.4	170.4	-167.8	-1.5	110.7
66	G	46.5	Very low	47.8	Very low	80 Å²	80	153.5 Å²	153.5	83%	0.825	84%	0.841	S	S	*	*			trans	153.3	118.8	168	0	0	0	0	0	110.1
67	G	44.9	Very low	47.7	Very low	89 Å²	89	151.2 Å²	151.2	92%	0.918	83%	0.833	S	S	*	*			cis	107.3	48.6	7.3	0	0	0	0	0	112.8
68	M	50.8	Low	47.6	Very low	171 Å²	171	152 Å²	152	84%	0.842	84%	0.84	S	S	*	*			trans	-128.8	124.4	178.2	-150.6	137.9	172	0	0	111.1
69	K	50.6	Low	47.4	Very low	208 Å²	208	149.2 Å²	149.2	90%	0.904	84%	0.835	S	S	*	*			trans	-99.8	125	171.9	-66.3	169.6	179.8	168.9	0	107.6
70	I	50.1	Low	47.5	Very low	156 Å²	156	145 Å²	145	80%	0.8	83%	0.831	S	S	*	*			trans	-121.9	147.6	162.3	-61.5	-175	0	0	0	108.7
71	R	46.2	Very low	47.4	Very low	244 Å²	244	145.6 Å²	145.6	92%	0.921	82%	0.823	S	S	*	*			trans	-149.2	130.7	-154	-178.3	-168.5	-166.7	-170.2	4.8	109.7
72	G	42	Very low	47.4	Very low	80 Å²	80	149.3 Å²	149.3	83%	0.825	83%	0.825	S	S	*	*			trans	98	151.2	178.3	0	0	0	0	0	112.6
73	G	41.9	Very low	47	Very low	83 Å²	83	143.8 Å²	143.8	86%	0.856	82%	0.824	S	S	*	*			cis	178	172.5	-1.1	0	0	0	0	0	111.7
74	G	44.8	Very low	47.1	Very low	74 Å²	74	143.7 Å²	143.7	76%	0.763	82%	0.821	S	S	*	*			trans	96.6	93.6	-175.6	0	0	0	0	0	111.6
75	E	45.9	Very low	47.1	Very low	144 Å²	144	152.8 Å²	152.8	67%	0.673	84%	0.838	S	S	*	*				59.2	98.9	52.5	-65.1	-155.1	109.2	0	0	115	R77	E75-R77 IonicContact OE1-CZ 3.65Å; E75-R77 IonicContact OE1-NE 3.64Å; E75-R77 IonicContact OE1-NH2 2.83Å; E75-R77 PolarHBondContact OE1-NH2 3.07Å
76	N	49	Very low	46.8	Very low	176 Å²	176	152.3 Å²	152.3	94%	0.941	84%	0.836	S	S	*	*				-150.7	153.5	127.2	-106.2	-36.6	0	0	0	111.7
77	R	46.3	Very low	46.7	Very low	209 Å²	209	152.5 Å²	152.5	79%	0.789	83%	0.83	S	S	*	*			trans	-122.2	165.1	-155.9	-60.7	179.5	-174.9	159.6	6.2	114.6	E75	E75-R77 IonicContact OE1-CZ 3.65Å; E75-R77 IonicContact OE1-NE 3.64Å; E75-R77 IonicContact OE1-NH2 2.83Å; E75-R77 PolarHBondContact OE1-NH2 3.07Å
78	G	46.4	Very low	46.5	Very low	74 Å²	74	153.1 Å²	153.1	76%	0.763	82%	0.82	S	S	*	*			trans	147.8	82.4	163.3	0	0	0	0	0	109.9
79	D	49.4	Very low	46.3	Very low	149 Å²	149	155.3 Å²	155.3	80%	0.797	83%	0.825	S	S	*	*				74.8	155.1	52	-150.9	4.1	0	0	0	114.1
80	L	48.1	Very low	45.8	Very low	163 Å²	163	150.1 Å²	150.1	85%	0.853	82%	0.815	S	S	*	*			trans	85.2	128.3	-167.7	-51.1	178.6	0	0	0	116.1
81	S	46.9	Very low	45.5	Very low	89 Å²	89	150.3 Å²	150.3	62%	0.622	82%	0.818	S	S	*	*			cis	-177.5	114.5	-26.4	161	0	0	0	0	108.2
82	R	47.5	Very low	45.3	Very low	240 Å²	240	148.2 Å²	148.2	91%	0.906	82%	0.815	S	S	*	*			trans	51.5	123.1	136.4	-61.1	174.4	166	170.3	-1.1	121.7
83	G	45.1	Very low	45.1	Very low	83 Å²	83	148 Å²	148	86%	0.856	81%	0.813	S	S	*	*			trans	-156	100.6	155.9	0	0	0	0	0	112.8
84	K	51.7	Low	45.2	Very low	192 Å²	192	148.9 Å²	148.9	84%	0.835	81%	0.806	S	S	*	*			trans	-86.4	148.4	-173.3	-69.3	171.1	174	172.4	0	114.2
85	R	47.1	Very low	44.9	Very low	247 Å²	247	150.2 Å²	150.2	93%	0.932	80%	0.804	S	S	*	*			trans	152.5	111.2	137.5	-83.3	156.3	-166.5	-106.2	6.2	107.9
86	R	41.2	Very low	44.9	Very low	248 Å²	248	153.6 Å²	153.6	94%	0.936	82%	0.816	S	S	*	*			cis	80.1	88.7	35	-147.3	-170.4	-161.5	-153.1	5.5	115.1
87	A	45	Very low	44.3	Very low	84 Å²	84	147.8 Å²	147.8	69%	0.694	80%	0.799	S	S	*	*			trans	-174.4	116.4	141.2	0	0	0	0	0	107.3
88	S	40.4	Very low	44	Very low	101 Å²	101	147.3 Å²	147.3	71%	0.706	81%	0.805	S	S	*	*			cis	71.4	88.4	48.6	79	0	0	0	0	115.2
89	F	46.4	Very low	43.7	Very low	218 Å²	218	147.2 Å²	147.2	96%	0.956	80%	0.797	S	S	*	*			trans	-140.3	144.3	150.5	-87.5	-72.5	0	0	0	110.8
90	S	40.9	Very low	43.5	Very low	99 Å²	99	146.7 Å²	146.7	69%	0.692	79%	0.794	S	S	*	*			trans	-132.7	141.7	-168.1	55.4	0	0	0	0	111
91	N	44.2	Very low	43.3	Very low	160 Å²	160	147.5 Å²	147.5	86%	0.856	79%	0.793	S	S	*	*			trans	-170.7	128.1	149.1	-93.2	-18.7	0	0	0	107.2
92	K	42.4	Very low	42.7	Very low	200 Å²	200	146.7 Å²	146.7	87%	0.87	80%	0.799	S	S	*	*			cis	92.2	116.1	17.2	-157.3	179.3	-174.8	-178.7	0	114.9
93	G	37.9	Very low	42.8	Very low	76 Å²	76	144 Å²	144	78%	0.784	80%	0.799	S	S	*	*			trans	87.9	144.1	176.4	0	0	0	0	0	113.5
94	S	42.4	Very low	42.7	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	80%	0.798	S	S	*	*			cis	-156.9	126.3	-1.7	50.5	0	0	0	0	108
95	S	39.6	Very low	42.3	Very low	103 Å²	103	151.1 Å²	151.1	72%	0.72	80%	0.803	S	S	*	*				40.5	98.4	88.5	71.1	0	0	0	0	116
96	F	44.5	Very low	42.2	Very low	214 Å²	214	142.7 Å²	142.7	94%	0.939	79%	0.792	S	S	*	*			trans	171.9	136	150.3	-95.4	-70.7	0	0	0	105.7
97	G	37.7	Very low	42.2	Very low	55 Å²	55	139.5 Å²	139.5	57%	0.567	79%	0.786	S	S	*	*			cis	136.4	119.6	0.8	0	0	0	0	0	109.8
98	H	40.3	Very low	42.2	Very low	198 Å²	198	143.7 Å²	143.7	92%	0.917	80%	0.796	S	S	*	*			trans	63.1	159.2	176.5	-62	-83.9	0	0	0	115.6
99	A	40	Very low	42.1	Very low	72 Å²	72	145 Å²	145	60%	0.595	80%	0.795	S	S	*	*			cis	169.7	151.5	-21.3	0	0	0	0	0	104.2
100	N	44.6	Very low	42.1	Very low	138 Å²	138	138.5 Å²	138.5	74%	0.738	79%	0.79	S	S	*	*			trans	137.6	106.7	160.3	-72.4	-14.7	0	0	0	109
101	Q	43.2	Very low	42.3	Very low	180 Å²	180	142.7 Å²	142.7	84%	0.841	80%	0.796	S	S	*	*				74.8	107.2	76.4	-78.2	-170.9	-7.6	0	0	112.3
102	G	36	Very low	42.3	Very low	72 Å²	72	141 Å²	141	74%	0.742	80%	0.797	S	S	*	*			trans	64.8	114.3	138	0	0	0	0	0	118.3
103	M	47.7	Very low	42.4	Very low	185 Å²	185	135 Å²	135	91%	0.911	79%	0.792	S	S	*	*				-154.2	116.4	114.4	-106.7	167.5	-158	0	0	110.7
104	E	43.1	Very low	42.5	Very low	179 Å²	179	136.8 Å²	136.8	84%	0.836	79%	0.792	S	S	*	*			trans	-65.3	158	158.8	-56.7	166.9	123.5	0	0	110
105	R	44.9	Very low	42.6	Very low	245 Å²	245	141.6 Å²	141.6	93%	0.925	80%	0.801	S	S	*	*			trans	131.8	124.5	166.4	-74.5	153.2	-156.4	-139.5	7.6	108.8
106	G	43.8	Very low	42.7	Very low	69 Å²	69	147.5 Å²	147.5	71%	0.711	81%	0.808	S	S	*	*			cis	-173.9	151.8	-7.2	0	0	0	0	0	111.1
107	F	41.2	Very low	42.7	Very low	182 Å²	182	140.4 Å²	140.4	80%	0.798	79%	0.794	S	S	*	*			trans	6	125.1	141.6	-87.2	-96.8	0	0	0	117.8	D109	F107-D109 WeakPolarHBondContact CD1-OD2 3.4Å; F107-D109 VanDerWaalsContact CE1-OD2 3.28Å; F107-D109 WeakPolarHBondContact CE1-OD2 3.21Å
108	N	46.2	Very low	42.9	Very low	172 Å²	172	146 Å²	146	92%	0.92	81%	0.806	S	S	*	*			trans	-147.2	96.7	134	-116.3	-4.6	0	0	0	110	G110	N108-G110 PolarHBondContact O-N 2.82Å
109	D	38.3	Very low	43.1	Very low	127 Å²	127	148 Å²	148	68%	0.679	81%	0.805	S	S	*	*			trans	-71.3	103.8	169.5	-78.6	-61.4	0	0	0	110.1	F107 K111	F107-D109 WeakPolarHBondContact CD1-OD2 3.4Å; F107-D109 VanDerWaalsContact CE1-OD2 3.28Å; F107-D109 WeakPolarHBondContact CE1-OD2 3.21Å; D109-K111 VanDerWaalsContact C-N 3.33Å; D109-K111 PolarHBondContact O-N 3.45Å; D109-K111 VanDerWaalsContact O-N 3.13Å
110	G	46.2	Very low	43.1	Very low	83 Å²	83	148.8 Å²	148.8	86%	0.856	82%	0.821	S	S	*	*			trans	-82.5	68.5	172.6	0	0	0	0	0	112.6	N108	N108-G110 PolarHBondContact O-N 2.82Å
111	K	43.7	Very low	43.1	Very low	186 Å²	186	145.9 Å²	145.9	81%	0.809	82%	0.823	S	S	*	*			trans	-70.9	160.5	175.2	-104.6	173.7	179.1	166.4	0	112.7	D109	D109-K111 VanDerWaalsContact C-N 3.33Å; D109-K111 PolarHBondContact O-N 3.45Å; D109-K111 VanDerWaalsContact O-N 3.13Å
112	S	44.2	Very low	43.1	Very low	125 Å²	125	147.2 Å²	147.2	87%	0.874	83%	0.826	S	S	*	*			trans	83.5	142.3	172.5	79.6	0	0	0	0	115.8
113	G	45.5	Very low	43.2	Very low	75 Å²	75	155.2 Å²	155.2	77%	0.773	83%	0.834	S	S	*	*			cis	-146.5	148.3	7.8	0	0	0	0	0	113.9
114	S	39.9	Very low	42.9	Very low	113 Å²	113	153.6 Å²	153.6	79%	0.79	82%	0.823	S	S	*	*			trans	-67.4	139.8	168.4	55.3	0	0	0	0	111.2
115	F	44.6	Very low	42.8	Very low	201 Å²	201	150.9 Å²	150.9	88%	0.882	82%	0.819	S	S	*	*			trans	-130.9	84.5	153	-133.2	-94	0	0	0	111.1	G117	F115-G117 PolarHBondContact O-N 3.49Å
116	R	41.5	Very low	42.7	Very low	227 Å²	227	148.3 Å²	148.3	86%	0.857	81%	0.811	S	S	*	*			trans	-65.3	126.4	157.1	-101.3	-172.9	176.5	-165.8	-0.4	107.7
117	G	43.3	Very low	42.6	Very low	64 Å²	64	151.5 Å²	151.5	66%	0.66	81%	0.811	S	S	*	*			trans	-134.9	59.1	-177.2	0	0	0	0	0	113.1	F115 R119	F115-G117 PolarHBondContact O-N 3.49Å; G117-R119 PolarHBondContact O-N 3.17Å
118	E	43.6	Very low	42.6	Very low	173 Å²	173	151.7 Å²	151.7	81%	0.808	82%	0.815	S	S	*	*			trans	-59.2	108.7	164.5	-72.1	169.9	89.7	0	0	110
119	R	43.8	Very low	42.3	Very low	240 Å²	240	147 Å²	147	91%	0.906	81%	0.806	S	S	*	*			trans	-145.1	104.2	158.4	-77.7	-161.5	173.7	172.6	0	111.4	G117 G121	G117-R119 PolarHBondContact O-N 3.17Å; R119-G121 PolarHBondContact O-N 3.35Å
120	G	40.5	Very low	42.6	Very low	89 Å²	89	145.5 Å²	145.5	92%	0.918	81%	0.812	S	S	*	*			trans	-61.4	126	160.2	0	0	0	0	0	110.2
121	G	43	Very low	42.7	Very low	76 Å²	76	148.1 Å²	148.1	78%	0.784	81%	0.811	S	S	*	*			trans	-109.9	131.4	175.2	0	0	0	0	0	110.2	R119	R119-G121 PolarHBondContact O-N 3.35Å
122	K	43.8	Very low	42.7	Very low	208 Å²	208	146.5 Å²	146.5	90%	0.904	81%	0.812	S	S	*	*			trans	-76.6	146.7	-174.5	-72.3	171.9	175.8	175.8	0	112.6
123	R	38.4	Very low	42.9	Very low	241 Å²	241	150.3 Å²	150.3	91%	0.909	81%	0.813	S	S	*	*			trans	-40.3	130	158.5	-52.7	171.6	-169.4	175.8	-0.2	112.3
124	H	40.9	Very low	43.1	Very low	150 Å²	150	156.6 Å²	156.6	69%	0.694	82%	0.819	S	S	*	*			trans	-163.9	108.4	158.8	-123	-70.8	0	0	0	103.5	Y126	H124-Y126 AromaticContact CE1-CE2 3.55Å; H124-Y126 AromaticContact ND1-CD2 3.7Å; H124-Y126 AromaticContact ND1-CE2 3.59Å
125	V	41.2	Very low	43.3	Very low	122 Å²	122	162.9 Å²	162.9	74%	0.739	83%	0.825	S	S	*	*				50.3	76.4	58.6	-167.6	0	0	0	0	111.5
126	Y	43.7	Very low	43.2	Very low	192 Å²	192	162.5 Å²	162.5	75%	0.753	82%	0.823	S	S	*	*			trans	-163.2	116.2	137.1	-82	-63.7	0	0	0	105.3	H124	H124-Y126 AromaticContact CE1-CE2 3.55Å; H124-Y126 AromaticContact ND1-CD2 3.7Å; H124-Y126 AromaticContact ND1-CE2 3.59Å
127	D	40.3	Very low	43.3	Very low	135 Å²	135	159.5 Å²	159.5	72%	0.722	82%	0.823	S	S	*	*				93	140	66.2	-160.5	10	0	0	0	111.5
128	E	41.8	Very low	43.5	Very low	187 Å²	187	162.5 Å²	162.5	87%	0.874	83%	0.829	S	S	*	*			trans	-48.2	160.2	-153.1	-62.2	169.3	174.5	0	0	120.7
129	G	39.8	Very low	43.2	Very low	72 Å²	72	159.8 Å²	159.8	74%	0.742	83%	0.829	S	S	*	*			trans	148	119.1	130.7	0	0	0	0	0	119.6
130	A	45.5	Very low	43.4	Very low	97 Å²	97	157.7 Å²	157.7	80%	0.802	83%	0.829	S	S	*	*			trans	71.9	137.6	157	0	0	0	0	0	118.9
131	T	48.2	Very low	44.2	Very low	137 Å²	137	161.7 Å²	161.7	84%	0.84	83%	0.829	S	S	*	*			cis	-160.4	152.2	-2.4	10.2	0	0	0	0	112.4
132	N	43.3	Very low	44.6	Very low	153 Å²	153	167.5 Å²	167.5	82%	0.818	84%	0.835	S	S	*	*			trans	-62.4	150.9	-179	-54.2	-39.1	0	0	0	116.5
133	K	47.8	Very low	44.9	Very low	205 Å²	205	162.4 Å²	162.4	89%	0.891	83%	0.832	S	S	*	*				-177.1	125.8	121.8	-105.6	166.3	-179.7	174.4	0	115.7
134	K	51.2	Low	45.8	Very low	206 Å²	206	160.3 Å²	160.3	90%	0.896	83%	0.833	S	S	*	*			trans	119	100.2	157.4	-69.6	-176.6	172.6	-171.9	0	116.3
135	R	42.9	Very low	46.6	Very low	246 Å²	246	162.7 Å²	162.7	93%	0.928	84%	0.844	S	S	*	*			trans	-116.6	179.7	140	-61.9	179.6	176.9	162.4	-3	105.3
136	K	42.7	Very low	47.2	Very low	193 Å²	193	165.6 Å²	165.6	84%	0.839	85%	0.85	S	S	*	*			cis	-169.4	150.4	19.9	-162.5	-177.9	-178	-171.3	0	107.8
137	L	44.4	Very low	47.4	Very low	163 Å²	163	164 Å²	164	85%	0.853	85%	0.854	S	S	*	*			trans	158.3	135.7	162.8	-91.9	167.1	0	0	0	105.1
138	T	46.6	Very low	48.1	Very low	127 Å²	127	163.3 Å²	163.3	78%	0.779	85%	0.854	S	S	*	*			cis	-139.6	154.3	2.7	34.7	0	0	0	0	110
139	S	37.2	Very low	48.5	Very low	116 Å²	116	163.9 Å²	163.9	81%	0.811	86%	0.857	S	S	*	*			trans	-161.6	85.4	167.7	63.1	0	0	0	0	111.6
140	E	49.3	Very low	48.9	Very low	196 Å²	196	167.2 Å²	167.2	92%	0.916	86%	0.857	S	S	*	*			trans	-151.2	95	171.6	-84.8	-174.9	138.7	0	0	108.3
141	L	55.4	Low	49.1	Very low	173 Å²	173	167.1 Å²	167.1	91%	0.906	85%	0.847	S	S	*	*			trans	-168.3	34.9	170	-117.5	170.9	0	0	0	115.5
142	E	51.6	Low	49.6	Very low	198 Å²	198	165.2 Å²	165.2	93%	0.925	85%	0.845	S	S	*	*			trans	-137.5	77.3	174.5	-70.6	-169.3	160.5	0	0	111.4
143	A	49.9	Very low	50.3	Low	101 Å²	101	165.9 Å²	165.9	84%	0.835	84%	0.843	S	S	*	*			trans	-157.3	13.3	178.6	0	0	0	0	0	117.6
144	E	57.4	Low	50.6	Low	198 Å²	198	163.4 Å²	163.4	93%	0.925	84%	0.835	S	S	*	*			trans	-140.5	72.7	177.3	-68.1	-167.3	168.4	0	0	113
145	E	58.9	Low	50.7	Low	199 Å²	199	161.3 Å²	161.3	93%	0.93	83%	0.833	S	S	*	*			trans	-129.7	59.1	164.9	-74.5	-160.8	159.8	0	0	111.4
146	E	52.3	Low	51.3	Low	183 Å²	183	153.2 Å²	153.2	86%	0.855	81%	0.814	S	S	*	*			trans	-128.4	137.6	165.8	-68.8	-168.1	151.5	0	0	110.8
147	D	49	Very low	51.8	Low	160 Å²	160	150.5 Å²	150.5	86%	0.856	81%	0.808	S	S	*	*			trans	61.6	73.5	166.2	-64.8	-16.3	0	0	0	120.5
148	V	54.2	Low	52.1	Low	119 Å²	119	147.4 Å²	147.4	72%	0.721	81%	0.806	S	S	*	*			trans	-136.5	89.4	144.1	-155.5	0	0	0	0	112.8	L150	V148-L150 VanDerWaalsContact C-N 3.28Å; V148-L150 HydrophobicContact CG1-CD1 4.47Å; V148-L150 HydrophobicContact CG1-CD2 3.61Å; V148-L150 HydrophobicContact CG1-CG 3.61Å; V148-L150 PolarHBondContact O-N 3.22Å
149	E	50.6	Low	52.4	Low	199 Å²	199	146.6 Å²	146.6	93%	0.93	81%	0.806	S	S	*	*			trans	-70.5	80.6	161.9	-76.3	-168.4	135.8	0	0	110.2	T151	E149-T151 PolarHBondContact O-N 3.17Å
150	L	49.6	Very low	53.1	Low	142 Å²	142	146.2 Å²	146.2	74%	0.743	80%	0.803	S	S	*	*			trans	-72.7	107.6	167.9	-68.4	-175.6	0	0	0	110.3	V148 A152	V148-L150 VanDerWaalsContact C-N 3.28Å; V148-L150 HydrophobicContact CG1-CD1 4.47Å; V148-L150 HydrophobicContact CG1-CD2 3.61Å; V148-L150 HydrophobicContact CG1-CG 3.61Å; V148-L150 PolarHBondContact O-N 3.22Å; L150-A152 PolarHBondContact O-N 3.26Å
151	T	49.2	Very low	53.2	Low	96 Å²	96	144.5 Å²	144.5	59%	0.589	80%	0.799	S	S	*	*			trans	-59	129.5	173.1	44.9	0	0	0	0	111.5	E149 E153 E154	E149-T151 PolarHBondContact O-N 3.17Å; T151-E153 PolarHBondContact O-N 2.74Å; T151-E154 PolarHBondContact O-N 2.86Å
152	A	57.3	Low	52.9	Low	97 Å²	97	142.9 Å²	142.9	80%	0.802	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	18	-175.6	0	0	0	0	0	115.9	L150	L150-A152 PolarHBondContact O-N 3.26Å
153	E	58.1	Low	53.2	Low	166 Å²	166	141.6 Å²	141.6	78%	0.776	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-11.9	178.1	-63.1	-168.2	150.2	0	0	113.3	T151 S156	T151-E153 PolarHBondContact O-N 2.74Å; E153-S156 PolarHBondContact O-OG 3.18Å
154	E	55.1	Low	53.3	Low	154 Å²	154	140.3 Å²	140.3	72%	0.72	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-4.6	179.5	-65.4	-163.4	129.6	0	0	114.7	T151	T151-E154 PolarHBondContact O-N 2.86Å
155	L	52.3	Low	53.2	Low	162 Å²	162	138.7 Å²	138.7	85%	0.848	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	4.6	178.1	-67	178	0	0	0	114.2
156	S	56.2	Low	52.9	Low	75 Å²	75	137.4 Å²	137.4	52%	0.524	77%	0.772	S	S	.	*	S	Bend	trans	-88.5	-16.1	178.1	56.9	0	0	0	0	115	E153	E153-S156 PolarHBondContact O-OG 3.18Å
157	D	53.2	Low	52.7	Low	137 Å²	137	136.6 Å²	136.6	73%	0.733	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	4.4	-166.9	-71.6	6	0	0	0	113.9
158	A	51.8	Low	52.9	Low	97 Å²	97	136 Å²	136	80%	0.802	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	0.6	178	0	0	0	0	0	114.4
159	S	52.6	Low	53	Low	111 Å²	111	139 Å²	139	78%	0.776	77%	0.772	S	S	*	*			trans	-109.4	55.4	-176.8	72.9	0	0	0	0	113.7
160	S	50.5	Low	53.2	Low	108 Å²	108	137 Å²	137	76%	0.755	76%	0.762	S	S	*	*			trans	-143.5	61	166.1	71.4	0	0	0	0	111.3
161	L	52.6	Low	53.3	Low	160 Å²	160	135.8 Å²	135.8	84%	0.838	77%	0.766	S	S	*	*			trans	-88.3	111	166.7	-135.3	157.7	0	0	0	106.8	D163	L161-D163 PolarHBondContact O-N 3.36Å
162	D	49	Very low	53.5	Low	138 Å²	138	139 Å²	139	74%	0.738	78%	0.776	S	S	*	*			trans	-74.3	108.1	-170.8	-124.4	-14.6	0	0	0	109.7	S164	D162-S164 PolarHBondContact O-N 2.83Å
163	D	58.1	Low	53.1	Low	171 Å²	171	142.5 Å²	142.5	91%	0.914	78%	0.776	S	S	*	*			trans	-74.2	57.2	174.4	-81.5	-48.4	0	0	0	111.1	L161	L161-D163 PolarHBondContact O-N 3.36Å
164	S	52.1	Low	52.9	Low	74 Å²	74	141.9 Å²	141.9	52%	0.517	78%	0.777	S	S	.	*			trans	-142.4	63.4	-174.3	68.3	0	0	0	0	113.3	D162	D162-S164 PolarHBondContact O-N 2.83Å
165	D	54.5	Low	52.6	Low	165 Å²	165	141.2 Å²	141.2	88%	0.882	78%	0.778	S	S	*	*			trans	-164.7	57.1	158.3	-97.2	-25.2	0	0	0	110
166	L	53.8	Low	52.9	Low	172 Å²	172	141.6 Å²	141.6	90%	0.901	78%	0.78	S	S	*	*			trans	-126.8	49.6	168.6	-142	167.3	0	0	0	109.4
167	E	46.8	Very low	52.8	Low	165 Å²	165	142.5 Å²	142.5	77%	0.771	79%	0.787	S	S	*	*			trans	-77.5	153.6	160.3	-60	-155.1	143	0	0	109.3
168	D	52.9	Low	52.4	Low	148 Å²	148	143.6 Å²	143.6	79%	0.791	79%	0.793	S	S	*	*			trans	55.7	91.7	167.9	-55.6	-24.9	0	0	0	117.5
169	E	57.5	Low	52.7	Low	183 Å²	183	147.2 Å²	147.2	86%	0.855	79%	0.793	S	S	*	*	S	Bend		-148.3	126.2	114	-79.7	-138.3	149.6	0	0	112.3
170	E	54.3	Low	52.6	Low	156 Å²	156	150.8 Å²	150.8	73%	0.729	80%	0.797	S	S	*	*			trans	45.4	85.8	154.8	-56.2	-157.2	134.1	0	0	119.5	M172	E170-M172 PolarHBondContact O-N 3.08Å
171	S	51.4	Low	53.1	Low	117 Å²	117	153 Å²	153	82%	0.818	80%	0.798	S	S	*	*			trans	-48.2	98	149.3	51.7	0	0	0	0	112.9	E173	S171-E173 PolarHBondContact O-N 2.73Å
172	M	53.3	Low	53.3	Low	162 Å²	162	150.7 Å²	150.7	80%	0.798	79%	0.792	S	S	*	*			trans	-85.4	95	158.7	-72.8	-163.1	-178.2	0	0	109.9	E170 L174	E170-M172 PolarHBondContact O-N 3.08Å; M172-L174 PolarHBondContact O-N 3.15Å
173	E	49.9	Very low	53	Low	172 Å²	172	149.6 Å²	149.6	80%	0.804	80%	0.795	S	S	*	*			trans	-60.5	98.9	166.9	-68.2	178.6	134.1	0	0	109.8	S171 D175	S171-E173 PolarHBondContact O-N 2.73Å; E173-D175 PolarHBondContact O-N 2.92Å
174	L	53.8	Low	52.6	Low	153 Å²	153	150.8 Å²	150.8	80%	0.801	80%	0.795	S	S	*	*			trans	-85.4	85.6	162.8	-74.1	179.3	0	0	0	108.9	M172 L176	M172-L174 PolarHBondContact O-N 3.15Å; L174-L176 PolarHBondContact O-N 3.08Å
175	D	48.8	Very low	52.2	Low	139 Å²	139	150.8 Å²	150.8	74%	0.743	81%	0.807	S	S	*	*			trans	-59.1	80.5	165.4	-100.2	-26.2	0	0	0	110.3	E173 S177	E173-D175 PolarHBondContact O-N 2.92Å; D175-S177 PolarHBondContact O-N 2.96Å; D175-S177 PolarHBondContact O-OG 2.6Å
176	L	57.5	Low	52	Low	170 Å²	170	149.9 Å²	149.9	89%	0.89	81%	0.807	S	S	*	*			trans	-74.3	71	163	-68.1	-179.5	0	0	0	108.9	L174	L174-L176 PolarHBondContact O-N 3.08Å
177	S	54	Low	51.8	Low	95 Å²	95	146.3 Å²	146.3	66%	0.664	80%	0.802	S	S	*	*			trans	-61.1	146.2	173.2	36.8	0	0	0	0	111.7	D175 E179	D175-S177 PolarHBondContact O-N 2.96Å; D175-S177 PolarHBondContact O-OG 2.6Å; S177-E179 PolarHBondContact O-N 3.13Å
178	D	46.4	Very low	51.8	Low	160 Å²	160	142.1 Å²	142.1	86%	0.856	80%	0.804	S	S	*	*			trans	-37.1	118.5	178.6	-56.5	-75.8	0	0	0	115
179	E	56.8	Low	51.7	Low	173 Å²	173	143.5 Å²	143.5	81%	0.808	81%	0.811	S	S	*	*			trans	-119.2	86.2	153.7	-155.8	173.1	-171.2	0	0	109.3	S177 M181	S177-E179 PolarHBondContact O-N 3.13Å; E179-M181 HydrophobicContact CG-CG 4.45Å; E179-M181 PolarHBondContact O-N 2.95Å
180	E	51.1	Low	51.3	Low	186 Å²	186	141.2 Å²	141.2	87%	0.869	81%	0.805	S	S	*	*			trans	-54.2	120.8	163.8	-65.7	-176.2	117.3	0	0	109.3
181	M	61	Low	50.9	Low	155 Å²	155	142.3 Å²	142.3	76%	0.764	81%	0.81	S	S	*	*			trans	-126.7	135.3	165.3	-77.2	-64.3	-83.9	0	0	111.7	E179	E179-M181 HydrophobicContact CG-CG 4.45Å; E179-M181 PolarHBondContact O-N 2.95Å
182	P	56.2	Low	50.5	Low	111 Å²	111	140.7 Å²	140.7	72%	0.721	81%	0.811	S	S	*	*			trans	-87.2	155.8	-150	32.4	-38.3	0	0	0	115.4	E184	P182-E184 PolarHBondContact O-N 2.72Å
183	S	43.3	Very low	50.2	Low	115 Å²	115	138.3 Å²	138.3	80%	0.804	82%	0.817	S	S	*	*			trans	-72	115.2	163.8	58.2	0	0	0	0	112.5
184	E	49.8	Very low	49.9	Very low	195 Å²	195	133.3 Å²	133.3	91%	0.911	81%	0.812	S	S	*	*			trans	-172.1	130	155.4	-105.5	171.5	-153.6	0	0	106.2	P182	P182-E184 PolarHBondContact O-N 2.72Å
185	G	43.8	Very low	49.5	Very low	74 Å²	74	132 Å²	132	76%	0.763	82%	0.816	S	S	*	*			cis	127	73.5	26.2	0	0	0	0	0	108.8
186	V	50	Low	49.3	Very low	147 Å²	147	128.7 Å²	128.7	89%	0.891	82%	0.815	S	S	*	*			trans	-130.1	116.5	175	-175.7	0	0	0	0	110.4
187	A	48.6	Very low	48.8	Very low	96 Å²	96	129.4 Å²	129.4	79%	0.793	82%	0.818	S	S	*	*			trans	-95.7	147.9	-176.9	0	0	0	0	0	112.6
188	G	47.4	Very low	48.2	Very low	78 Å²	78	128 Å²	128	80%	0.804	82%	0.818	S	S	*	*			trans	67.1	120.9	131.4	0	0	0	0	0	119.3
189	N	50.2	Low	48.2	Very low	177 Å²	177	126.3 Å²	126.3	95%	0.947	81%	0.814	S	S	*	*			trans	-133.1	117.5	144.9	-146.9	21.6	0	0	0	108.8
190	D	49.2	Very low	47.7	Very low	135 Å²	135	124.6 Å²	124.6	72%	0.722	81%	0.811	S	S	*	*			trans	-114.1	173	-174.3	172.8	43.2	0	0	0	110
191	Q	45.8	Very low	47.4	Very low	179 Å²	179	123 Å²	123	84%	0.836	81%	0.807	S	S	*	*			trans	96.2	110.3	162.9	-52.3	-170.1	-0	0	0	118.2
192	G	43.1	Very low	46.8	Very low	82 Å²	82	121.3 Å²	121.3	85%	0.845	81%	0.805	S	S	*	*			trans	-169.2	87	164.2	0	0	0	0	0	110.4
193	A	47.6	Very low	46.2	Very low	112 Å²	112	120.8 Å²	120.8	93%	0.926	81%	0.805	S	S	*	*			trans	-91.2	159.9	-164.8	0	0	0	0	0	116
194	G	43.8	Very low	46.2	Very low	68 Å²	68	120.7 Å²	120.7	70%	0.701	80%	0.799	S	S	*	*			trans	132.2	122.1	162.3	0	0	0	0	0	112.7
195	S	45.9	Very low	45.8	Very low	126 Å²	126	117 Å²	117	88%	0.881	79%	0.794	S	S	*	*			cis	130.9	124.5	9.5	55.1	0	0	0	0	108.4
196	G	43.7	Very low	45.8	Very low	69 Å²	69	119 Å²	119	71%	0.711	79%	0.791	S	S	*	*			trans	119.4	98.1	174.7	0	0	0	0	0	112.5
197	L	46.4	Very low	45.6	Very low	184 Å²	184	118 Å²	118	96%	0.963	79%	0.788	S	S	*	*				81.2	125.2	57	-65.5	177.4	0	0	0	114.9
198	G	42.4	Very low	45.6	Very low	65 Å²	65	121.4 Å²	121.4	67%	0.67	79%	0.792	S	S	*	*			trans	121.8	75.1	172.4	0	0	0	0	0	113.5
199	T	46	Very low	45.8	Very low	126 Å²	126	125.2 Å²	125.2	77%	0.773	79%	0.789	S	S	*	*				53	108.2	75.4	69.9	0	0	0	0	116.5
200	N	46.3	Very low	46	Very low	137 Å²	137	123 Å²	123	73%	0.733	78%	0.784	S	S	*	*				-176.2	121.3	125.2	-83.4	-15.6	0	0	0	107.4
201	L	43.9	Very low	46.2	Very low	151 Å²	151	123.6 Å²	123.6	79%	0.791	79%	0.787	S	S	*	*				61.2	132	82.1	-60.6	171.2	0	0	0	112.2
202	V	48.9	Very low	46.1	Very low	120 Å²	120	120 Å²	120	73%	0.727	78%	0.781	S	S	*	*			cis	-163.7	150	-2.1	117.6	0	0	0	0	109.1
203	S	43.3	Very low	46.5	Very low	101 Å²	101	123.9 Å²	123.9	71%	0.706	78%	0.781	S	S	*	*			trans	150.6	105	146.2	-167.8	0	0	0	0	108.5
204	T	43.6	Very low	46.6	Very low	112 Å²	112	125.7 Å²	125.7	69%	0.687	78%	0.776	S	S	*	*				78.8	136.5	53.9	65.1	0	0	0	0	115.6
205	C	42	Very low	46.7	Very low	119 Å²	119	127.1 Å²	127.1	80%	0.804	78%	0.775	S	S	*	*			trans	70.8	133.6	-175.2	-65.2	0	0	0	0	115.7
206	T	43.6	Very low	46.8	Very low	115 Å²	115	128.2 Å²	128.2	71%	0.706	77%	0.771	S	S	*	*			cis	-161.1	144.7	-10.7	-1.1	0	0	0	0	108.7
207	P	46.3	Very low	47.1	Very low	125 Å²	125	133.3 Å²	133.3	81%	0.812	78%	0.776	S	S	*	*			trans	-88.5	119.3	170.4	33	-28.7	0	0	0	110.6
208	L	48	Very low	47.1	Very low	169 Å²	169	133.1 Å²	133.1	89%	0.885	77%	0.77	S	S	*	*			trans	-105.3	150.7	171.6	-90.7	168.1	0	0	0	112.2
209	Q	51	Low	47.5	Very low	157 Å²	157	138.4 Å²	138.4	73%	0.734	78%	0.778	S	S	*	*			trans	-87.5	158.8	-160.9	-62.6	-179.7	-36.8	0	0	112.8	L211	Q209-L211 PolarHBondContact O-N 2.89Å
210	P	55.9	Low	47.5	Very low	132 Å²	132	138.5 Å²	138.5	86%	0.857	78%	0.778	S	S	*	*			trans	-70.4	111	164.5	30.2	-32.4	0	0	0	109.3
211	L	52.3	Low	47.5	Very low	147 Å²	147	139.2 Å²	139.2	77%	0.77	78%	0.781	S	S	*	*			trans	-86.6	109.9	168.7	-71.8	176.4	0	0	0	109.7	Q209	Q209-L211 PolarHBondContact O-N 2.89Å
212	S	44.4	Very low	47.7	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	78%	0.775	S	S	*	*			trans	-63	130.6	149.6	49.7	0	0	0	0	108.6
213	L	50.6	Low	47.6	Very low	162 Å²	162	141.3 Å²	141.3	85%	0.848	78%	0.783	S	S	*	*			trans	-120.8	136.1	163.9	-95.3	168.2	0	0	0	109.5
214	D	50.4	Low	47.9	Very low	151 Å²	151	144.6 Å²	144.6	81%	0.807	79%	0.79	S	S	*	*			trans	-79.6	176.4	-168.8	-67.3	-80.6	0	0	0	113.8
215	S	47	Very low	48.1	Very low	97 Å²	97	148.2 Å²	148.2	68%	0.678	80%	0.799	S	S	*	*			trans	-62.7	164.8	-178.2	-45.9	0	0	0	0	115.8
216	D	46	Very low	48.4	Very low	150 Å²	150	146.9 Å²	146.9	80%	0.802	80%	0.796	S	S	*	*			trans	78.5	153.1	150.9	-56.1	-43.8	0	0	0	119.2
217	E	51	Low	48.7	Very low	176 Å²	176	150.7 Å²	150.7	82%	0.822	80%	0.803	S	S	*	*			trans	70.1	90.8	174.9	-51	-165.6	160.6	0	0	118.4
218	Q	47.3	Very low	48.9	Very low	180 Å²	180	154.9 Å²	154.9	84%	0.841	81%	0.808	S	S	*	*				-174.5	109.9	101.9	-99.4	173.8	62.7	0	0	113.4
219	E	49.4	Very low	48.8	Very low	176 Å²	176	150.7 Å²	150.7	82%	0.822	81%	0.806	S	S	*	*			trans	-79.1	162	152.1	-70	-169	128.1	0	0	110.4
220	T	46.5	Very low	48.7	Very low	128 Å²	128	147.1 Å²	147.1	79%	0.785	81%	0.811	S	S	*	*			trans	74.8	101	165.5	72.5	0	0	0	0	118.1
221	L	46	Very low	48.4	Very low	152 Å²	152	147.3 Å²	147.3	80%	0.796	81%	0.81	S	S	*	*			trans	-149.2	114.5	141.8	-105.4	167.1	0	0	0	110.9
222	T	48.4	Very low	48.3	Very low	107 Å²	107	149.5 Å²	149.5	66%	0.656	82%	0.819	S	S	*	*			trans	24.1	124.6	145.9	55.8	0	0	0	0	119
223	K	47.6	Very low	48.6	Very low	208 Å²	208	154.5 Å²	154.5	90%	0.904	83%	0.827	S	S	*	*			cis	59.5	57	35.2	-150.5	179.6	-170.5	173.9	0	115.9
224	M	49.5	Very low	49.2	Very low	170 Å²	170	155.9 Å²	155.9	84%	0.837	83%	0.827	S	S	*	*			trans	-159.6	142.5	156.1	-97.2	164.7	85	0	0	105.2
225	Q	46.7	Very low	49.1	Very low	187 Å²	187	158.3 Å²	158.3	87%	0.874	83%	0.83	S	S	*	*			cis	-141.2	159.7	29.5	-59.4	177.6	4.2	0	0	112.4
226	A	48.4	Very low	49.8	Very low	91 Å²	91	160.8 Å²	160.8	75%	0.752	83%	0.831	S	S	*	*			trans	-131.4	132.6	164.2	0	0	0	0	0	109.4
227	K	51	Low	50	Low	196 Å²	196	163 Å²	163	85%	0.852	83%	0.833	S	S	*	*			trans	161.4	140.5	142.6	-95.3	161.8	-179.1	172.2	0	114.3
228	K	50.6	Low	50.3	Low	212 Å²	212	163.5 Å²	163.5	92%	0.922	84%	0.836	S	S	*	*			trans	66	140.1	162.1	-58.3	163.8	177.5	-176.9	0	114.8
229	G	45.6	Very low	50.4	Low	82 Å²	82	164 Å²	164	85%	0.845	84%	0.835	S	S	*	*			cis	-151.3	-171.5	-9.6	0	0	0	0	0	108
230	G	49.3	Very low	50.7	Low	81 Å²	81	159.6 Å²	159.6	84%	0.835	84%	0.837	S	S	*	*			cis	-157.9	-176.3	4.9	0	0	0	0	0	111.7
231	T	48.3	Very low	50.9	Low	137 Å²	137	161.9 Å²	161.9	84%	0.84	84%	0.839	S	S	*	*			trans	-87	139.7	-169.4	50.8	0	0	0	0	114
232	M	50.5	Low	50.9	Low	193 Å²	193	159.1 Å²	159.1	95%	0.951	84%	0.837	S	S	*	*			trans	-143.8	126.2	134.4	-84.1	-143.7	174.5	0	0	112
233	K	50.5	Low	51.1	Low	208 Å²	208	163.7 Å²	163.7	90%	0.904	85%	0.848	S	S	*	*			trans	-96.5	130.9	167	-69	170.7	177.2	168.3	0	107.7
234	K	62.9	Low	51.6	Low	191 Å²	191	159.6 Å²	159.6	83%	0.83	84%	0.843	S	S	*	*			trans	-132.4	114.5	153.3	-154.2	175.4	-179.1	-170.5	0	109.8
235	K	49.2	Very low	51.7	Low	202 Å²	202	156.1 Å²	156.1	88%	0.878	84%	0.841	S	S	*	*			trans	-81.7	134.8	165.7	-69.6	173.2	174.1	175.4	0	106.9
236	E	61	Low	52.3	Low	150 Å²	150	153.6 Å²	153.6	70%	0.701	84%	0.838	S	S	*	*			trans	-133.5	125.6	153.3	-160.7	146.8	161.1	0	0	110.1
237	K	50.2	Low	52.7	Low	195 Å²	195	155.1 Å²	155.1	85%	0.848	84%	0.84	S	S	*	*			trans	-92.9	129.5	171	-70	170	172.4	175	0	106.6
238	Q	57.2	Low	53	Low	187 Å²	187	152.4 Å²	152.4	87%	0.874	84%	0.841	S	S	*	*			trans	-128.9	141.6	142	-70.6	-158.3	12.4	0	0	110.2
239	K	49	Very low	53.2	Low	191 Å²	191	151.9 Å²	151.9	83%	0.83	84%	0.838	S	S	*	*			trans	-137.2	87.9	-166.2	-177	-171.6	-177.8	-172.1	0	106.6
240	G	56.1	Low	53.6	Low	83 Å²	83	157.4 Å²	157.4	86%	0.856	85%	0.845	S	S	*	*			trans	-102.4	122	177.7	0	0	0	0	0	110.6
241	Q	51.3	Low	53.6	Low	177 Å²	177	161.1 Å²	161.1	83%	0.827	84%	0.84	S	S	*	*			trans	-104.5	146.5	174.7	-67.8	179	-31	0	0	110.5
242	A	46.3	Very low	54	Low	93 Å²	93	158.5 Å²	158.5	77%	0.769	84%	0.84	S	S	*	*			trans	134.6	145.6	150.3	0	0	0	0	0	111.7
243	K	51	Low	54.2	Low	204 Å²	204	156.8 Å²	156.8	89%	0.887	83%	0.827	S	S	*	*			cis	-160.8	158.9	-25.3	-116.5	177.5	-177.8	179.4	0	106.2
244	P	59.1	Low	54.1	Low	122 Å²	122	158.3 Å²	158.3	79%	0.792	83%	0.827	S	S	*	*			trans	-102.6	159	-165.9	38.5	-34.2	0	0	0	114.3
245	A	51.9	Low	53.8	Low	97 Å²	97	154.2 Å²	154.2	80%	0.802	82%	0.823	S	S	*	*			trans	-168.2	154.9	143.8	0	0	0	0	0	114
246	V	58	Low	53.7	Low	133 Å²	133	154.2 Å²	154.2	81%	0.806	82%	0.823	S	S	*	*			trans	105.8	102.7	161.3	-171.6	0	0	0	0	116.2
247	P	57.7	Low	53.1	Low	123 Å²	123	155.7 Å²	155.7	80%	0.799	84%	0.835	S	S	*	*			trans	-112.2	139.6	165.6	36.8	-25.7	0	0	0	112.5
248	T	58.4	Low	52.9	Low	140 Å²	140	150.9 Å²	150.9	86%	0.859	83%	0.831	S	S	*	*			trans	-129.8	131.2	163.1	34.2	0	0	0	0	110.3
249	K	52.9	Low	52.4	Low	201 Å²	201	150.8 Å²	150.8	87%	0.874	83%	0.831	S	S	*	*			trans	-76.2	154.8	178.4	-55.8	165.6	178.5	175.4	0	110
250	M	55.9	Low	52.6	Low	198 Å²	198	150.8 Å²	150.8	98%	0.975	83%	0.831	S	S	*	*				-153.7	159.3	128.5	-89.7	-106.4	-134.2	0	0	109.1
251	E	47.8	Very low	52.3	Low	159 Å²	159	152 Å²	152	74%	0.743	83%	0.826	S	S	*	*			trans	-130.1	119.2	-154.5	-175.8	-170.6	140.8	0	0	110.5	K253	E251-K253 WeakPolarHBondContact OE1-CE 3.49Å; E251-K253 IonicContact OE1-NZ 3.08Å
252	G	57	Low	52	Low	81 Å²	81	148 Å²	148	84%	0.835	82%	0.823	S	S	*	*			trans	-131.3	131.1	-178.6	0	0	0	0	0	111.9
253	K	54.6	Low	52	Low	157 Å²	157	148 Å²	148	68%	0.683	82%	0.824	S	S	*	*			trans	-111	144.3	-157.7	-71.6	162.2	179.3	156.8	0	114.4	E251	E251-K253 WeakPolarHBondContact OE1-CE 3.49Å; E251-K253 IonicContact OE1-NZ 3.08Å
254	R	49	Very low	51.9	Low	240 Å²	240	147.6 Å²	147.6	91%	0.906	82%	0.822	S	S	*	*			trans	68.4	155.5	151.7	-67.2	165.3	169.6	-170.7	-6.2	115.9
255	S	55.5	Low	51.3	Low	106 Å²	106	150 Å²	150	74%	0.741	82%	0.823	S	S	*	*			cis	-150.5	130.9	8.7	35.7	0	0	0	0	110.4
256	K	47.8	Very low	50.9	Low	201 Å²	201	150.4 Å²	150.4	87%	0.874	83%	0.826	S	S	*	*				40.5	108	95.6	-76.5	-161.3	177.6	-169.9	0	118.2
257	L	48.2	Very low	50.4	Low	181 Å²	181	147.8 Å²	147.8	95%	0.948	83%	0.825	S	S	*	*			trans	171.2	151.2	142.7	-90.6	162.2	0	0	0	106.1
258	A	45.8	Very low	49.8	Very low	94 Å²	94	151.7 Å²	151.7	78%	0.777	83%	0.833	S	S	*	*			cis	-153	165.6	-17.9	0	0	0	0	0	109.4
259	E	46.4	Very low	49.3	Very low	185 Å²	185	149.9 Å²	149.9	86%	0.864	83%	0.832	S	S	*	*			trans	-110.5	140.5	-170.9	-179.5	-176.9	-177	0	0	112.3
260	K	54.8	Low	49.1	Very low	191 Å²	191	150.8 Å²	150.8	83%	0.83	84%	0.836	S	S	*	*			trans	-176	119.4	163.2	-99.3	152.1	-176.9	-177.4	0	107.8
261	S	49.2	Very low	48.6	Very low	108 Å²	108	144.8 Å²	144.8	76%	0.755	83%	0.825	S	S	*	*				64.6	129.8	55.5	85.4	0	0	0	0	113.2
262	A	44.3	Very low	48.5	Very low	93 Å²	93	143.5 Å²	143.5	77%	0.769	83%	0.828	S	S	*	*			cis	-167.9	164.7	-1.9	0	0	0	0	0	112.2
263	A	46	Very low	47.7	Very low	95 Å²	95	147.1 Å²	147.1	79%	0.785	83%	0.827	S	S	*	*			trans	42.9	119.6	144.3	0	0	0	0	0	122.6
264	K	49.9	Very low	47.2	Very low	195 Å²	195	146.6 Å²	146.6	85%	0.848	83%	0.831	S	S	*	*				-176.3	155.8	116.5	-99.4	171.1	176.5	-179.7	0	108.3
265	E	45.7	Very low	46.9	Very low	173 Å²	173	142.9 Å²	142.9	81%	0.808	83%	0.828	S	S	*	*			cis	159.7	156.6	-14.2	179.4	165.9	-145.4	0	0	104.1
266	A	44.1	Very low	46.3	Very low	105 Å²	105	146.3 Å²	146.3	87%	0.868	83%	0.83	S	S	*	*			trans	-80.5	155.8	-159.5	0	0	0	0	0	115.8
267	G	47.9	Very low	46.1	Very low	77 Å²	77	142.3 Å²	142.3	79%	0.794	83%	0.827	S	S	*	*			trans	-157.1	95.1	170.2	0	0	0	0	0	112.9
268	Q	45.9	Very low	46	Very low	206 Å²	206	139.9 Å²	139.9	96%	0.963	81%	0.813	S	S	*	*			trans	-74.9	127.3	165.7	-73.2	179.9	-30.6	0	0	109.9
269	A	47.3	Very low	45.9	Very low	101 Å²	101	140.2 Å²	140.2	84%	0.835	81%	0.81	S	S	*	*			trans	-144.7	125.7	161.5	0	0	0	0	0	110.5
270	K	47.3	Very low	45.9	Very low	221 Å²	221	143 Å²	143	96%	0.961	81%	0.813	S	S	*	*			trans	-82.6	130.9	170.2	-61.7	171.7	-179.6	177.3	0	107.6
271	G	46.8	Very low	45.7	Very low	71 Å²	71	144.3 Å²	144.3	73%	0.732	81%	0.813	S	S	*	*			trans	-155.5	82.9	-173.3	0	0	0	0	0	113.7
272	T	44.1	Very low	45.9	Very low	133 Å²	133	144.5 Å²	144.5	82%	0.816	81%	0.812	S	S	*	*			trans	35.2	109.7	146.9	-39.8	0	0	0	0	119.1	L274	T272-L274 PolarHBondContact O-N 2.73Å
273	I	41.5	Very low	45.9	Very low	157 Å²	157	148.6 Å²	148.6	81%	0.805	81%	0.812	S	S	*	*			trans	-60.1	125.9	164.8	-65.5	161.9	0	0	0	109.7	L275	I273-L275 HydrophobicContact CG2-CG 4.43Å
274	L	43.9	Very low	46	Very low	146 Å²	146	154.2 Å²	154.2	76%	0.764	82%	0.815	S	S	*	*			trans	-124	109.6	167.7	-118.2	166.3	0	0	0	108.1	T272 F276	T272-L274 PolarHBondContact O-N 2.73Å; L274-F276 PolarHBondContact O-N 3.12Å
275	L	42.9	Very low	45.9	Very low	161 Å²	161	149.1 Å²	149.1	84%	0.843	81%	0.809	S	S	*	*			trans	-68.9	100.6	-179.1	-74.8	161.3	0	0	0	110.2	I273	I273-L275 HydrophobicContact CG2-CG 4.43Å
276	F	43.2	Very low	45.9	Very low	179 Å²	179	147 Å²	147	79%	0.785	80%	0.802	S	S	*	*			trans	-90	102.9	163.1	-110.3	-93.1	0	0	0	109.3	L274 I278	L274-F276 PolarHBondContact O-N 3.12Å; F276-I278 VanDerWaalsContact C-N 3.27Å; F276-I278 HydrophobicContact CB-CG1 4.41Å; F276-I278 PolarHBondContact O-N 3.49Å
277	S	42.8	Very low	46.1	Very low	117 Å²	117	147 Å²	147	82%	0.818	80%	0.796	S	S	*	*			trans	-69.4	82.6	170.5	55.8	0	0	0	0	110.1	S279	S277-S279 PolarHBondContact O-N 3.5Å; S277-S279 VanDerWaalsContact O-N 3.17Å
278	I	47	Very low	46.3	Very low	129 Å²	129	149.9 Å²	149.9	66%	0.662	79%	0.793	S	S	*	*			trans	-76.7	102.7	174.4	-60.9	178	0	0	0	108.1	F276 W280	F276-I278 VanDerWaalsContact C-N 3.27Å; F276-I278 HydrophobicContact CB-CG1 4.41Å; F276-I278 PolarHBondContact O-N 3.49Å; I278-W280 PolarHBondContact O-N 2.75Å
279	S	42.6	Very low	46.4	Very low	101 Å²	101	147.7 Å²	147.7	71%	0.706	78%	0.783	S	S	*	*			trans	-59.8	107.4	167.7	175.9	0	0	0	0	109.5	S277 R281	S277-S279 PolarHBondContact O-N 3.5Å; S277-S279 VanDerWaalsContact O-N 3.17Å; S279-R281 VanDerWaalsContact C-N 3.32Å; S279-R281 PolarHBondContact O-N 2.75Å
280	W	45.9	Very low	46.3	Very low	244 Å²	244	149.7 Å²	149.7	92%	0.924	78%	0.779	S	S	*	*			trans	-68.4	90.3	165.8	-85.3	17.4	0	0	0	109.4	I278	I278-W280 PolarHBondContact O-N 2.75Å
281	R	51.5	Low	46.4	Very low	218 Å²	218	146 Å²	146	82%	0.823	77%	0.769	S	S	*	*			trans	-76.5	131.6	154.1	-85.5	-178.1	163.8	-175.3	-6.2	108.1	S279 F283	S279-R281 VanDerWaalsContact C-N 3.32Å; S279-R281 PolarHBondContact O-N 2.75Å; R281-F283 PolarHBondContact O-N 3.39Å; R281-F283 VanDerWaalsContact O-N 3.13Å
282	P	52.7	Low	46.6	Very low	113 Å²	113	149.3 Å²	149.3	73%	0.734	77%	0.767	S	S	*	*			trans	-67.7	113.3	177.7	27	-32.9	0	0	0	110.1	Y284	P282-Y284 PolarHBondContact O-N 3.04Å
283	F	44	Very low	47	Very low	178 Å²	178	150.1 Å²	150.1	78%	0.781	76%	0.759	S	S	*	*			trans	-82.5	64.8	175.5	-159.6	-92.9	0	0	0	110	R281	R281-F283 PolarHBondContact O-N 3.39Å; R281-F283 VanDerWaalsContact O-N 3.13Å
284	Y	49.7	Very low	47.2	Very low	214 Å²	214	149.9 Å²	149.9	84%	0.839	76%	0.76	S	S	*	*			trans	-121.4	69.6	174.5	-86	-74.8	0	0	0	109.5	P282	P282-Y284 PolarHBondContact O-N 3.04Å
285	A	47.9	Very low	47.5	Very low	88 Å²	88	148.1 Å²	148.1	73%	0.727	75%	0.754	S	S	*	*	S	Bend	trans	-143.8	2.3	-178.7	0	0	0	0	0	115.1
286	L	44.9	Very low	47.5	Very low	128 Å²	128	146.2 Å²	146.2	67%	0.67	74%	0.741	S	S	*	*	S	Bend	trans	-124.2	12.3	-172.1	-111.6	86.8	0	0	0	115.4
287	S	49.2	Very low	47.3	Very low	104 Å²	104	147.3 Å²	147.3	73%	0.727	74%	0.741	S	S	*	*	S	Bend	trans	-119.5	7.3	-171.8	-49.6	0	0	0	0	115.4
288	N	50.6	Low	47.3	Very low	139 Å²	139	153.2 Å²	153.2	74%	0.743	75%	0.746	S	S	*	*	S	Bend	trans	-108.2	-6.1	175.8	-94.3	-5.7	0	0	0	114
289	E	48.4	Very low	47	Very low	160 Å²	160	152.2 Å²	152.2	75%	0.748	75%	0.746	S	S	*	*	S	Bend	trans	-85.8	-20.8	-174.3	-156.4	161.2	-152.4	0	0	112.9
290	L	45.9	Very low	46.9	Very low	143 Å²	143	151.2 Å²	151.2	75%	0.749	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-13.8	177.3	-135.9	76.6	0	0	0	114.1
291	L	49.1	Very low	46.7	Very low	144 Å²	144	146.9 Å²	146.9	75%	0.754	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	8	-175.9	-138	88.5	0	0	0	114.4
292	M	51	Low	46.3	Very low	139 Å²	139	144.9 Å²	144.9	69%	0.685	73%	0.733	S	S	*	*	S	Bend	trans	-92	-7.6	174.5	-70.8	-152.1	176.7	0	0	114	D294	M292-D294 PolarHBondContact O-N 3.44Å
293	K	51.8	Low	45.8	Very low	151 Å²	151	143.5 Å²	143.5	66%	0.657	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-71.9	-29.2	-172.6	-65.3	-174.6	176.8	-176.9	0	113.7
294	D	46.6	Very low	45.8	Very low	152 Å²	152	141 Å²	141	81%	0.813	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-86.9	-4.4	-178.2	-65.9	-23.8	0	0	0	115.2	M292	M292-D294 PolarHBondContact O-N 3.44Å
295	V	49.6	Very low	45.4	Very low	108 Å²	108	138.4 Å²	138.4	66%	0.655	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-92.3	-5.8	179.4	-173.7	0	0	0	0	111.9
296	H	43.2	Very low	45.1	Very low	122 Å²	122	144.1 Å²	144.1	57%	0.565	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	3.7	-175.9	-85.7	30	0	0	0	115.9	T300	H296-T300 PolarHBondContact O-OG1 3.5Å
297	Y	39.3	Very low	45.1	Very low	202 Å²	202	145.5 Å²	145.5	79%	0.792	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	5.5	178.7	-97.8	-85.6	0	0	0	115.8
298	R	42.9	Very low	44.8	Very low	241 Å²	241	146.2 Å²	146.2	91%	0.909	75%	0.745	S	S	*	*	S	Bend	trans	-125.3	2	175.4	-76	-171.7	172.1	-175	-2	116
299	T	40.9	Very low	44.4	Very low	107 Å²	107	146.1 Å²	146.1	66%	0.656	75%	0.751	S	S	*	*	S	Bend	trans	-122.7	3.3	-177.1	22.7	0	0	0	0	114.5
300	T	39.7	Very low	44.1	Very low	80 Å²	80	143.8 Å²	143.8	49%	0.491	75%	0.753	S	S	.	*	S	Bend	trans	-102.6	-2.5	-173.4	35.9	0	0	0	0	115.2	H296 L302	H296-T300 PolarHBondContact O-OG1 3.5Å; T300-L302 VanDerWaalsContact C-N 3.31Å; T300-L302 PolarHBondContact O-N 3.05Å
301	I	42.8	Very low	44.1	Very low	154 Å²	154	146.8 Å²	146.8	79%	0.79	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-6.1	179.7	-64.4	177.3	0	0	0	113.1
302	L	41.5	Very low	44	Very low	175 Å²	175	149.4 Å²	149.4	92%	0.916	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	2.4	-175.7	-80.4	167.4	0	0	0	115.9	T300	T300-L302 VanDerWaalsContact C-N 3.31Å; T300-L302 PolarHBondContact O-N 3.05Å
303	A	42	Very low	43.6	Very low	84 Å²	84	149.5 Å²	149.5	69%	0.694	77%	0.773	S	S	*	*	S	Bend	trans	-104.5	-11.5	-168.8	0	0	0	0	0	116.6
304	T	44.1	Very low	43	Very low	127 Å²	127	146.9 Å²	146.9	78%	0.779	78%	0.78	S	S	*	*			trans	-123	51.3	-166.9	50.3	0	0	0	0	114.8
305	L	41.3	Very low	43	Very low	158 Å²	158	144.1 Å²	144.1	83%	0.827	78%	0.778	S	S	*	*			trans	-131.2	64.1	171.2	-106.8	158.6	0	0	0	112.7	M307	L305-M307 VanDerWaalsContact C-N 3.31Å; L305-M307 HydrophobicContact CD2-CB 4.42Å; L305-M307 HydrophobicContact CD2-CG 4.21Å; L305-M307 PolarHBondContact O-N 3.31Å
306	K	41.9	Very low	43	Very low	209 Å²	209	148.4 Å²	148.4	91%	0.909	79%	0.788	S	S	*	*			trans	-70.1	84	163.7	-76.5	178.5	178.1	170.3	0	109.8
307	M	44.7	Very low	43.1	Very low	157 Å²	157	148.2 Å²	148.2	77%	0.773	80%	0.8	S	S	*	*			trans	-125.1	141.6	170.3	-86.5	-70.9	137.7	0	0	111.8	L305	L305-M307 VanDerWaalsContact C-N 3.31Å; L305-M307 HydrophobicContact CD2-CB 4.42Å; L305-M307 HydrophobicContact CD2-CG 4.21Å; L305-M307 PolarHBondContact O-N 3.31Å
308	T	44.3	Very low	43.3	Very low	119 Å²	119	143.1 Å²	143.1	73%	0.73	79%	0.794	S	S	*	*			trans	-76.8	153.5	-161.1	51	0	0	0	0	114.2	S310	T308-S310 PolarHBondContact O-N 3.07Å; T308-S310 VanDerWaalsContact O-N 3.11Å
309	P	40.7	Very low	43.4	Very low	136 Å²	136	134.7 Å²	134.7	88%	0.883	78%	0.775	S	S	*	*			trans	-78.7	101.2	-171.4	31.1	-35.3	0	0	0	112.4
310	S	42.4	Very low	43.6	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	78%	0.783	S	S	*	*			trans	-103.6	127.3	170	51.6	0	0	0	0	111.7	T308 K312	T308-S310 PolarHBondContact O-N 3.07Å; T308-S310 VanDerWaalsContact O-N 3.11Å; S310-K312 PolarHBondContact O-N 3.31Å
311	K	46	Very low	43.9	Very low	205 Å²	205	139.3 Å²	139.3	89%	0.891	79%	0.794	S	S	*	*			trans	-71.9	116.1	-175.2	-65.1	165.5	179.1	168.1	0	111.3
312	K	48.2	Very low	44.1	Very low	200 Å²	200	135.8 Å²	135.8	87%	0.87	78%	0.78	S	S	*	*			trans	161.4	169.5	142.8	-88.9	155.1	-173.5	179.8	0	110.2	S310	S310-K312 PolarHBondContact O-N 3.31Å
313	V	42.6	Very low	44.4	Very low	141 Å²	141	135.8 Å²	135.8	86%	0.855	77%	0.773	S	S	*	*			trans	72.9	72.9	178.3	-159.8	0	0	0	0	114.4
314	A	39.1	Very low	44.5	Very low	96 Å²	96	140 Å²	140	79%	0.793	78%	0.776	S	S	*	*			trans	-75.4	164	155.6	0	0	0	0	0	110.7
315	A	46.6	Very low	44.9	Very low	93 Å²	93	143.2 Å²	143.2	77%	0.769	77%	0.774	S	S	*	*			trans	76.5	92.9	-178.9	0	0	0	0	0	116.5
316	K	48.2	Very low	45.2	Very low	199 Å²	199	141.6 Å²	141.6	87%	0.865	76%	0.76	S	S	*	*	S	Bend	trans	-169.4	-21.2	139.9	-106.4	161.9	-175	-174	0	115.6	S318	K316-S318 PolarHBondContact O-N 3.11Å
317	S	45.1	Very low	45.6	Very low	118 Å²	118	140.6 Å²	140.6	83%	0.825	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-7.2	-175.6	50.6	0	0	0	0	116.7
318	S	44.3	Very low	46	Very low	95 Å²	95	140 Å²	140	66%	0.664	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-5.5	-176	-170.6	0	0	0	0	114.9	K316 T322	K316-S318 PolarHBondContact O-N 3.11Å; S318-T322 PolarHBondContact O-OG1 3.47Å
319	A	44.5	Very low	46.2	Very low	63 Å²	63	138.8 Å²	138.8	52%	0.521	75%	0.748	S	S	.	*	H	α-helix	trans	-89.9	-19.5	-169.5	0	0	0	0	0	114.8	T322	A319-T322 PolarHBondContact O-OG1 2.9Å
320	M	46.1	Very low	46.4	Very low	167 Å²	167	137.4 Å²	137.4	82%	0.823	73%	0.733	S	S	*	*	H	α-helix	trans	-85.8	-41.7	-174	-151	165.9	-167.4	0	0	112.3	T322 F323	M320-T322 VanDerWaalsContact C-N 3.32Å; M320-T322 PolarHBondContact O-N 2.93Å; M320-F323 PolarHBondContact O-N 3.11Å
321	V	45.6	Very low	46.8	Very low	117 Å²	117	141.5 Å²	141.5	71%	0.709	74%	0.739	S	S	*	*	H	α-helix	trans	-69.3	-29.6	176.8	-178.7	0	0	0	0	112
322	T	47.9	Very low	46.8	Very low	81 Å²	81	139 Å²	139	50%	0.497	74%	0.736	S	S	.	*	H	α-helix	trans	-77.6	-22	175.8	41.7	0	0	0	0	113.4	S318 A319 M320 K326	S318-T322 PolarHBondContact O-OG1 3.47Å; A319-T322 PolarHBondContact O-OG1 2.9Å; M320-T322 VanDerWaalsContact C-N 3.32Å; M320-T322 PolarHBondContact O-N 2.93Å; T322-K326 WeakPolarHBondContact O-CB 3.25Å; T322-K326 PolarHBondContact O-N 3.31Å; T322-K326 VanDerWaalsContact O-N 3.16Å
323	F	48	Very low	46.5	Very low	175 Å²	175	134.5 Å²	134.5	77%	0.768	73%	0.73	S	S	*	*	H	α-helix	trans	-71.7	-38.2	175.9	-126.8	-94	0	0	0	112.3	M320	M320-F323 PolarHBondContact O-N 3.11Å
324	F	43.7	Very low	46.7	Very low	173 Å²	173	135.2 Å²	135.2	76%	0.759	73%	0.729	S	S	*	*	H	α-helix	trans	-75.2	-31.3	-178.6	-150.9	-100.1	0	0	0	113.2
325	W	50.9	Low	47	Very low	194 Å²	194	138.3 Å²	138.3	74%	0.735	73%	0.732	S	S	*	*	H	α-helix	trans	-80.4	-33.6	174.9	-113.2	55.1	0	0	0	113.4	F327 L328	W325-F327 VanDerWaalsContact C-N 3.26Å; W325-F327 PolarHBondContact O-N 2.61Å; W325-L328 PolarHBondContact O-N 3.35Å
326	K	48.9	Very low	47.1	Very low	124 Å²	124	138.7 Å²	138.7	54%	0.539	73%	0.729	S	S	.	*	H	α-helix	trans	-71.8	-17.1	-178.6	-170	158.7	177	53.5	0	113.9	T322 L328 D330	T322-K326 WeakPolarHBondContact O-CB 3.25Å; T322-K326 PolarHBondContact O-N 3.31Å; T322-K326 VanDerWaalsContact O-N 3.16Å; K326-L328 VanDerWaalsContact C-N 3.29Å; K326-L328 PolarHBondContact O-N 3.06Å; K326-D330 WeakPolarHBondContact CE-OD2 3.35Å; K326-D330 IonicContact NZ-OD1 3.27Å; K326-D330 PolarHBondContact NZ-OD1 2.66Å; K326-D330 IonicContact NZ-OD2 2.59Å; K326-D330 PolarHBondContact NZ-OD2 3.24Å
327	F	49.5	Very low	47.2	Very low	187 Å²	187	136.9 Å²	136.9	82%	0.82	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-11.9	173	-159	-100	0	0	0	113.7	W325	W325-F327 VanDerWaalsContact C-N 3.26Å; W325-F327 PolarHBondContact O-N 2.61Å
328	L	52.6	Low	47.5	Very low	146 Å²	146	138.4 Å²	138.4	76%	0.764	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-5.6	-175.7	-116.6	76.1	0	0	0	115.2	W325 K326	W325-L328 PolarHBondContact O-N 3.35Å; K326-L328 VanDerWaalsContact C-N 3.29Å; K326-L328 PolarHBondContact O-N 3.06Å
329	T	50	Low	47.9	Very low	93 Å²	93	139.4 Å²	139.4	57%	0.571	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.2	-3	-166.1	60.8	0	0	0	0	117.2	E331	T329-E331 PolarHBondContact O-N 2.9Å
330	D	44.4	Very low	48	Very low	106 Å²	106	144.7 Å²	144.7	57%	0.567	75%	0.748	S	S	*	*			trans	-95	63.1	179	-69.8	-12.7	0	0	0	111.8	K326 D332	K326-D330 WeakPolarHBondContact CE-OD2 3.35Å; K326-D330 IonicContact NZ-OD1 3.27Å; K326-D330 PolarHBondContact NZ-OD1 2.66Å; K326-D330 IonicContact NZ-OD2 2.59Å; K326-D330 PolarHBondContact NZ-OD2 3.24Å; D330-D332 PolarHBondContact O-N 3.13Å
331	E	51.4	Low	48.3	Very low	198 Å²	198	144.5 Å²	144.5	93%	0.925	75%	0.745	S	S	*	*			trans	-90.7	70.8	161.6	-86.8	-161.3	143.5	0	0	110.2	T329	T329-E331 PolarHBondContact O-N 2.9Å
332	D	44.3	Very low	48.7	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	75%	0.752	S	S	*	*			trans	-123.8	98.9	168.2	-99.9	-39.8	0	0	0	110.9	D330	D330-D332 PolarHBondContact O-N 3.13Å
333	S	42.3	Very low	48.9	Very low	105 Å²	105	150.4 Å²	150.4	73%	0.734	77%	0.768	S	S	*	*			trans	32.6	102	133.7	176	0	0	0	0	118.6
334	D	47.6	Very low	49	Very low	156 Å²	156	146.1 Å²	146.1	83%	0.834	76%	0.76	S	S	*	*				-152.5	145.5	129.7	-120.1	-29	0	0	0	113.6
335	D	45.4	Very low	49.3	Very low	161 Å²	161	144.3 Å²	144.3	86%	0.861	76%	0.758	S	S	*	*			trans	-71.2	127.4	-179.5	-78.5	-70.3	0	0	0	111.1
336	S	49.3	Very low	49.3	Very low	100 Å²	100	143.7 Å²	143.7	70%	0.699	76%	0.763	S	S	*	*			trans	-143.6	119.6	151.3	48.8	0	0	0	0	111.9	L338	S336-L338 PolarHBondContact O-N 3.27Å
337	D	49.4	Very low	49.3	Very low	161 Å²	161	144.6 Å²	144.6	86%	0.861	77%	0.773	S	S	*	*			trans	-69.1	103.7	169.9	-65.2	-65.4	0	0	0	108.3
338	L	51.7	Low	49.2	Very low	150 Å²	150	142.4 Å²	142.4	79%	0.785	77%	0.769	S	S	*	*			trans	-112.7	117.5	167.1	-78.9	173.7	0	0	0	109.9	S336	S336-L338 PolarHBondContact O-N 3.27Å
339	V	53.1	Low	49.3	Very low	117 Å²	117	142.2 Å²	142.2	71%	0.709	77%	0.769	S	S	*	*			trans	-50.5	136.5	174.4	-85.6	0	0	0	0	112	E341	V339-E341 PolarHBondContact O-N 3.23Å
340	D	46.6	Very low	49.1	Very low	174 Å²	174	145.3 Å²	145.3	93%	0.93	78%	0.781	S	S	*	*			trans	-64.7	97.3	161.8	-50.9	-81.9	0	0	0	108
341	E	52.2	Low	49.5	Very low	162 Å²	162	145.3 Å²	145.3	76%	0.757	79%	0.79	S	S	*	*			trans	-109.8	136.4	162.3	-79.4	-169.2	163.1	0	0	109	V339 I343	V339-E341 PolarHBondContact O-N 3.23Å; E341-I343 PolarHBondContact O-N 3.02Å
342	D	53.3	Low	49.4	Very low	159 Å²	159	145.1 Å²	145.1	85%	0.85	79%	0.789	S	S	*	*			trans	-53.2	116	-174.7	-51.7	-69.6	0	0	0	112.3
343	I	51.8	Low	49.7	Very low	164 Å²	164	146.3 Å²	146.3	84%	0.841	79%	0.79	S	S	*	*			trans	-123.1	65.6	161.4	-50.9	177.5	0	0	0	107	E341	E341-I343 PolarHBondContact O-N 3.02Å
344	S	50.7	Low	50.2	Low	84 Å²	84	150 Å²	150	59%	0.587	80%	0.8	S	S	*	*			trans	-77	166.3	141.7	64.5	0	0	0	0	108.5
345	D	49.5	Very low	50.4	Low	136 Å²	136	148.6 Å²	148.6	73%	0.727	80%	0.802	S	S	*	*	S	Bend	trans	87.1	136.1	169.8	-41.2	-10.3	0	0	0	115.5
346	E	51.9	Low	50.6	Low	180 Å²	180	150.3 Å²	150.3	84%	0.841	81%	0.805	S	S	*	*			trans	58.8	78.9	163.2	-60.1	-179.3	170.2	0	0	118.1
347	I	48.7	Very low	50.7	Low	143 Å²	143	154.5 Å²	154.5	73%	0.733	81%	0.814	S	S	*	*			trans	-128.8	75.4	142.1	-39.1	-179.9	0	0	0	109.9	L349	I347-L349 HydrophobicContact CG2-CD1 4.36Å; I347-L349 HydrophobicContact CG2-CD2 3.85Å; I347-L349 HydrophobicContact CG2-CG 3.76Å; I347-L349 PolarHBondContact O-N 3.28Å; I347-L349 VanDerWaalsContact O-N 3.1Å
348	D	48.4	Very low	50.8	Low	141 Å²	141	155.2 Å²	155.2	75%	0.754	82%	0.816	S	S	*	*			trans	-64.6	104.7	161.7	-68.5	-40.4	0	0	0	108.6
349	L	53.1	Low	50.5	Low	143 Å²	143	152.3 Å²	152.3	75%	0.749	81%	0.813	S	S	*	*			trans	-99.7	74.9	168.2	-67.6	-176.7	0	0	0	109.5	I347 S351	I347-L349 HydrophobicContact CG2-CD1 4.36Å; I347-L349 HydrophobicContact CG2-CD2 3.85Å; I347-L349 HydrophobicContact CG2-CG 3.76Å; I347-L349 PolarHBondContact O-N 3.28Å; I347-L349 VanDerWaalsContact O-N 3.1Å; L349-S351 PolarHBondContact O-N 3.5Å
350	D	47	Very low	50.4	Low	157 Å²	157	155.7 Å²	155.7	84%	0.84	82%	0.821	S	S	*	*			trans	-57.4	91.2	156.1	-71.7	-26.2	0	0	0	108.1
351	S	52.4	Low	50.8	Low	107 Å²	107	156.7 Å²	156.7	75%	0.748	82%	0.818	S	S	*	*			trans	-111.8	34.8	-179.4	-173	0	0	0	0	111.4	L349 E353	L349-S351 PolarHBondContact O-N 3.5Å; S351-E353 PolarHBondContact O-N 2.82Å
352	E	49.5	Very low	51	Low	194 Å²	194	156.1 Å²	156.1	91%	0.907	82%	0.82	S	S	*	*			trans	-92.6	60.4	169.8	-64.9	-165.2	160.9	0	0	111.4
353	E	50.9	Low	50.6	Low	179 Å²	179	157.4 Å²	157.4	84%	0.836	82%	0.821	S	S	*	*			trans	-162.8	98.7	168.8	-111.3	-178.9	-158.1	0	0	108.1	S351	S351-E353 PolarHBondContact O-N 2.82Å
354	L	51.2	Low	50.6	Low	182 Å²	182	158.6 Å²	158.6	95%	0.953	82%	0.823	S	S	*	*	S	Bend	trans	162	57.6	157.6	-90.4	163.7	0	0	0	114
355	S	53	Low	50.4	Low	126 Å²	126	159.7 Å²	159.7	88%	0.881	83%	0.83	S	S	*	*			trans	-158.2	50	164.3	63.2	0	0	0	0	114
356	E	48.7	Very low	50.3	Low	197 Å²	197	160.2 Å²	160.2	92%	0.921	83%	0.833	S	S	*	*			trans	-145.7	67.3	179.6	-155.8	169.1	-123.3	0	0	111.6
357	E	52	Low	50.4	Low	189 Å²	189	159.5 Å²	159.5	88%	0.883	83%	0.83	S	S	*	*			trans	-155.1	159.8	167.5	-146.8	176	179.1	0	0	109.2
358	I	52	Low	50.7	Low	175 Å²	175	160.1 Å²	160.1	90%	0.897	83%	0.83	S	S	*	*			trans	82.2	61.6	-171.5	-40.5	162.9	0	0	0	114
359	A	45.8	Very low	51	Low	89 Å²	89	159.4 Å²	159.4	74%	0.736	82%	0.823	S	S	*	*			trans	-122.1	164.4	143.4	0	0	0	0	0	108.5
360	E	50.2	Low	50.7	Low	188 Å²	188	160 Å²	160	88%	0.879	82%	0.822	S	S	*	*			trans	66.6	93.6	174.1	-55.7	-178.3	-170.4	0	0	117.8
361	K	55.7	Low	50.6	Low	196 Å²	196	158.8 Å²	158.8	85%	0.852	82%	0.816	S	S	*	*			trans	-164.5	143.8	130.6	-116.8	170	-174	142.5	0	116.1
362	D	54.7	Low	50.2	Low	149 Å²	149	161.1 Å²	161.1	80%	0.797	82%	0.819	S	S	*	*			trans	100.3	62.4	155.8	-56.5	-17.5	0	0	0	118.1
363	E	45.7	Very low	50.2	Low	187 Å²	187	156.7 Å²	156.7	87%	0.874	81%	0.807	S	S	*	*			trans	-84.3	125	142.5	-62.7	-178.5	155.1	0	0	109.7
364	Q	50.7	Low	50	Low	188 Å²	188	152.7 Å²	152.7	88%	0.879	80%	0.799	S	S	*	*			trans	174.3	157.1	144	-101.8	169.2	9.8	0	0	113.9
365	S	47.6	Very low	49.9	Very low	107 Å²	107	152.7 Å²	152.7	75%	0.748	79%	0.791	S	S	*	*			trans	73	107.9	-176.8	67.7	0	0	0	0	113.9
366	D	48.3	Very low	49.7	Very low	147 Å²	147	151.6 Å²	151.6	79%	0.786	78%	0.783	S	S	*	*			cis	54.1	133.5	40.2	-60.6	-40.3	0	0	0	112.1
367	E	53	Low	49.7	Very low	166 Å²	166	150.4 Å²	150.4	78%	0.776	78%	0.775	S	S	*	*			cis	-166.1	165.5	25.2	-137.9	169.4	-170.7	0	0	109.9
368	E	55.6	Low	49.4	Very low	156 Å²	156	148.5 Å²	148.5	73%	0.729	77%	0.766	S	S	*	*			trans	63.8	150.3	161.4	-62.1	-165.8	130.9	0	0	119.8
369	M	54	Low	49.1	Very low	125 Å²	125	149.3 Å²	149.3	62%	0.616	77%	0.766	S	S	*	*			cis	-155.8	127.1	-3.2	-127.2	-168.7	-75.7	0	0	111.6
370	Q	46	Very low	49.2	Very low	157 Å²	157	154.7 Å²	154.7	73%	0.734	77%	0.773	S	S	*	*				59.1	140.6	126.7	-67.1	176.2	11.4	0	0	125.4
371	D	46.1	Very low	49	Very low	131 Å²	131	151.8 Å²	151.8	70%	0.701	77%	0.771	S	S	*	*			trans	83.6	83.3	148.6	-64	-9.4	0	0	0	123.6
372	L	44.4	Very low	48.6	Very low	155 Å²	155	148.4 Å²	148.4	81%	0.812	77%	0.771	S	S	*	*				34.2	159.5	102.4	-67	180	0	0	0	121
373	P	49.1	Very low	48.1	Very low	102 Å²	102	150.9 Å²	150.9	66%	0.662	78%	0.775	S	S	*	*			cis	-146.4	167.5	-19.3	37.6	-17.4	0	0	0	118.3
374	S	45.7	Very low	48.4	Very low	94 Å²	94	151.4 Å²	151.4	66%	0.657	78%	0.775	S	S	*	*			trans	86.6	134	134.5	75.3	0	0	0	0	125.1
375	K	48.8	Very low	48.2	Very low	183 Å²	183	147.9 Å²	147.9	80%	0.796	77%	0.77	S	S	*	*			trans	86.3	98.1	137.3	-77.8	161.4	-176	168.4	0	121.9
376	S	50.1	Low	48.1	Very low	102 Å²	102	147.3 Å²	147.3	71%	0.713	77%	0.772	S	S	*	*				110.2	136	95.9	75.4	0	0	0	0	121.7
377	K	48.5	Very low	48.1	Very low	173 Å²	173	149.2 Å²	149.2	75%	0.752	77%	0.774	S	S	*	*			trans	80.7	116.4	143	-81.6	-175.9	166.9	-173.1	0	122.4
378	Q	45.7	Very low	47.6	Very low	149 Å²	149	146.1 Å²	146.1	70%	0.696	77%	0.766	S	S	*	*				54.4	120.7	128.8	-57.6	177.1	-98.5	0	0	119.5
379	E	46.1	Very low	47.4	Very low	192 Å²	192	146.6 Å²	146.6	90%	0.897	77%	0.768	S	S	*	*				-175.6	-172.2	100.1	-98.4	-164.5	168.5	0	0	114.5
380	K	47.3	Very low	47	Very low	201 Å²	201	151.2 Å²	151.2	87%	0.874	78%	0.779	S	S	*	*			trans	-103.4	167.3	-153.7	-90.2	177	178.1	175	0	115.4
381	P	45.6	Very low	47.1	Very low	128 Å²	128	150.9 Å²	150.9	83%	0.831	78%	0.777	S	S	*	*			trans	-88.6	162.2	-165.9	35.5	-38	0	0	0	115.5
382	S	46.8	Very low	47.1	Very low	124 Å²	124	152.4 Å²	152.4	87%	0.867	78%	0.778	S	S	*	*			trans	-147.8	160.6	170.9	77.3	0	0	0	0	115
383	K	45.8	Very low	47.2	Very low	201 Å²	201	150.2 Å²	150.2	87%	0.874	77%	0.771	S	S	*	*			trans	-96.8	150.8	-166.8	-60.4	163.9	174.1	171.4	0	114.2
384	K	50.2	Low	46.8	Very low	199 Å²	199	151.5 Å²	151.5	87%	0.865	78%	0.777	S	S	*	*			trans	-177.4	133.8	146.2	-101.4	161.9	177.7	-180	0	108
385	S	46.9	Very low	46.9	Very low	113 Å²	113	153.1 Å²	153.1	79%	0.79	79%	0.785	S	S	*	*			cis	99	94.4	21.6	83.1	0	0	0	0	116.7
386	A	45.9	Very low	46.9	Very low	96 Å²	96	150.2 Å²	150.2	79%	0.793	79%	0.788	S	S	*	*			trans	-164.2	123.8	149.6	0	0	0	0	0	107.6
387	K	48.3	Very low	46.5	Very low	187 Å²	187	151.8 Å²	151.8	81%	0.813	79%	0.793	S	S	*	*				71.9	117	63.4	-152.8	-174.5	-179.3	-178.4	0	110.5
388	T	43.6	Very low	46.7	Very low	100 Å²	100	149.1 Å²	149.1	61%	0.613	79%	0.793	S	S	*	*				-175.1	135.5	78.9	-64.9	0	0	0	0	113.5
389	Q	50.8	Low	46.6	Very low	167 Å²	167	146 Å²	146	78%	0.78	79%	0.793	S	S	*	*			trans	37.7	131.3	150.8	-58	154.6	3.1	0	0	120.9
390	R	44.6	Very low	46.7	Very low	222 Å²	222	146.1 Å²	146.1	84%	0.838	79%	0.794	S	S	*	*			cis	88.9	118	32.5	-159.3	-158.2	-164.4	-167.1	5.9	114.9
391	E	48.1	Very low	46.7	Very low	149 Å²	149	141.1 Å²	141.1	70%	0.696	79%	0.79	S	S	*	*			trans	121.2	150.9	150.6	-67.1	-154.6	140.1	0	0	116
392	K	47.4	Very low	46.9	Very low	164 Å²	164	138.5 Å²	138.5	71%	0.713	79%	0.786	S	S	*	*			cis	-175.2	157.1	-30.1	-164.1	-172.6	175.2	-177	0	108.8
393	V	46.2	Very low	47.5	Very low	109 Å²	109	142.7 Å²	142.7	66%	0.661	79%	0.789	S	S	*	*			trans	61.7	105	159.5	-85.5	0	0	0	0	123.6
394	T	41.1	Very low	47.7	Very low	129 Å²	129	138.8 Å²	138.8	79%	0.791	78%	0.784	S	S	*	*				55.3	148.5	119.9	56.8	0	0	0	0	124.6
395	P	46.5	Very low	47.9	Very low	127 Å²	127	136.1 Å²	136.1	83%	0.825	78%	0.784	S	S	*	*			trans	-110	164.5	-169.3	42.3	-34.5	0	0	0	116.7
396	S	50.2	Low	48.1	Very low	123 Å²	123	140.4 Å²	140.4	86%	0.86	79%	0.789	S	S	*	*			trans	-158.1	141.9	157.8	59.8	0	0	0	0	114.3
397	T	40.2	Very low	48.3	Very low	135 Å²	135	139.4 Å²	139.4	83%	0.828	79%	0.788	S	S	*	*			trans	-95.9	-177.1	171.9	20.3	0	0	0	0	111
398	P	52.8	Low	48.1	Very low	116 Å²	116	136.6 Å²	136.6	75%	0.753	79%	0.786	S	S	*	*			cis	-139.1	-174.2	-29.8	34	-13.7	0	0	0	115.1
399	A	44.2	Very low	48.3	Very low	84 Å²	84	139.1 Å²	139.1	69%	0.694	80%	0.795	S	S	*	*			trans	103.3	148.8	135.8	0	0	0	0	0	123.5
400	Q	48.7	Very low	48.1	Very low	194 Å²	194	139.9 Å²	139.9	91%	0.907	80%	0.796	S	S	*	*			trans	76.8	148.5	163.5	-54	-171.1	23.3	0	0	119.1
401	A	46.1	Very low	48.2	Very low	96 Å²	96	138.6 Å²	138.6	79%	0.793	80%	0.796	S	S	*	*			cis	-171.9	150.1	-22.7	0	0	0	0	0	113.5
402	G	51	Low	48.2	Very low	73 Å²	73	136.6 Å²	136.6	75%	0.753	81%	0.805	S	S	*	*			trans	87.7	164.1	158.1	0	0	0	0	0	118.3
403	K	58	Low	48.2	Very low	213 Å²	213	132.8 Å²	132.8	93%	0.926	81%	0.812	S	S	*	*			cis	-162.6	162	-12.2	-107.4	173.4	-176.7	172.5	0	109.3
404	P	51.9	Low	48.3	Very low	119 Å²	119	136.9 Å²	136.9	77%	0.773	82%	0.821	S	S	*	*			trans	-117.3	162.4	-161.6	41.4	-33.1	0	0	0	117.8
405	T	54.4	Low	48.7	Very low	142 Å²	142	137.5 Å²	137.5	87%	0.871	82%	0.82	S	S	*	*			trans	-155.4	156.3	163.2	52.2	0	0	0	0	110.7
406	K	49.8	Very low	49.1	Very low	204 Å²	204	139.3 Å²	139.3	89%	0.887	82%	0.817	S	S	*	*			cis	173.1	96.1	-28.3	-172.2	172.6	-171.7	176.1	0	104.9
407	G	49.9	Very low	49.2	Very low	75 Å²	75	138 Å²	138	77%	0.773	80%	0.804	S	S	*	*			trans	-124.4	153.4	-173.7	0	0	0	0	0	113.6
408	V	44.2	Very low	49.9	Very low	127 Å²	127	139.1 Å²	139.1	77%	0.77	81%	0.805	S	S	*	*			trans	-158.5	151.3	-161.3	148.3	0	0	0	0	112.2
409	L	47.6	Very low	49.8	Very low	154 Å²	154	142 Å²	142	81%	0.806	81%	0.805	S	S	*	*			trans	85.6	153.6	174.3	-61.3	137.4	0	0	0	118
410	K	46.8	Very low	50.3	Low	182 Å²	182	147.5 Å²	147.5	79%	0.791	81%	0.813	S	S	*	*			cis	178.9	157.3	-44.9	-117.8	-174.2	-175.9	172.7	0	109.9
411	K	48	Very low	50.7	Low	196 Å²	196	143.9 Å²	143.9	85%	0.852	81%	0.807	S	S	*	*			trans	71.4	130.1	170.4	-63.5	175.9	174.1	-178.9	0	115.3
412	A	46.7	Very low	51.1	Low	107 Å²	107	143.3 Å²	143.3	88%	0.884	80%	0.802	S	S	*	*			cis	94.3	114.6	32.3	0	0	0	0	0	114.1
413	G	48.6	Very low	51	Low	83 Å²	83	149.2 Å²	149.2	86%	0.856	81%	0.807	S	S	*	*			trans	-159.5	137.3	171.1	0	0	0	0	0	108.6
414	K	47.2	Very low	50.9	Low	195 Å²	195	147.2 Å²	147.2	85%	0.848	81%	0.806	S	S	*	*			trans	-126.8	-174.4	-173.4	-150.1	-177.9	-175.2	-174.8	0	108.3
415	D	50.6	Low	51.1	Low	143 Å²	143	151.1 Å²	151.1	77%	0.765	81%	0.813	S	S	*	*			trans	91.6	146.6	170.2	-47.6	-18.4	0	0	0	114.3
416	E	54	Low	51.4	Low	164 Å²	164	149.3 Å²	149.3	77%	0.766	81%	0.807	S	S	*	*			cis	-175.6	139.4	-36	-123.6	-152.6	115.1	0	0	104.1
417	V	53.4	Low	52	Low	96 Å²	96	149 Å²	149	58%	0.582	81%	0.808	S	S	*	*			trans	48.6	113.1	143.8	-177.6	0	0	0	0	119.2
418	N	54.2	Low	52.6	Low	158 Å²	158	154 Å²	154	85%	0.845	81%	0.809	S	S	*	*				-159.9	157.2	107.1	-110.3	-57.7	0	0	0	116.2
419	K	50	Low	53.2	Low	177 Å²	177	153.9 Å²	153.9	77%	0.77	81%	0.811	S	S	*	*			trans	-97	144.2	-175.5	-58.8	157.4	175.5	165.2	0	110.8
420	K	56.1	Low	53.7	Low	199 Å²	199	150.9 Å²	150.9	87%	0.865	81%	0.808	S	S	*	*				171.3	161.5	107	-95.4	-176.4	178.1	178.6	0	112.6
421	P	56.4	Low	54.4	Low	118 Å²	118	145 Å²	145	77%	0.766	79%	0.79	S	S	*	*			trans	-105.5	162.3	-161.7	40	-34.6	0	0	0	114
422	A	55	Low	55.4	Low	84 Å²	84	139.9 Å²	139.9	69%	0.694	78%	0.775	S	S	*	*				166.3	146.1	120.1	0	0	0	0	0	114
423	K	48.5	Very low	56.8	Low	198 Å²	198	143 Å²	143	86%	0.861	77%	0.769	S	S	*	*			trans	77.9	138.2	153.9	-69.6	162.2	-178.7	-177.7	0	119.9
424	L	55.3	Low	58.2	Low	171 Å²	171	145.6 Å²	145.6	90%	0.895	76%	0.759	S	S	*	*			trans	67	69.4	164.5	-65.1	154	0	0	0	116.1	S426	L424-S426 PolarHBondContact O-N 3.48Å
425	Q	56.6	Low	59.6	Low	200 Å²	200	140.5 Å²	140.5	94%	0.935	74%	0.74	S	S	*	*			trans	-67.7	110.3	154.6	-80.7	178.8	-45.6	0	0	109.1
426	S	60.9	Low	60.9	Low	105 Å²	105	138.9 Å²	138.9	73%	0.734	73%	0.728	S	S	*	*			trans	-62.6	130.5	162.7	39.5	0	0	0	0	109.7	L424 K428	L424-S426 PolarHBondContact O-N 3.48Å; S426-K428 PolarHBondContact O-N 3.08Å; S426-K428 VanDerWaalsContact O-N 3.15Å
427	Q	62.7	Low	62.1	Low	196 Å²	196	137.3 Å²	137.3	92%	0.916	72%	0.72	S	S	*	*			trans	-61.8	115.7	166.9	-73	173.4	-30.3	0	0	107.7
428	K	61.1	Low	63.5	Low	182 Å²	182	138.5 Å²	138.5	79%	0.791	72%	0.719	S	S	*	*			trans	-69.5	140	173.6	-75.2	-177.2	173.2	-176.3	0	109	S426 A430	S426-K428 PolarHBondContact O-N 3.08Å; S426-K428 VanDerWaalsContact O-N 3.15Å; K428-A430 PolarHBondContact O-N 2.97Å
429	P	58.6	Low	64.9	Low	124 Å²	124	136.1 Å²	136.1	81%	0.805	71%	0.706	S	S	*	*			trans	-70.1	96.2	172.8	29.2	-33.4	0	0	0	109.6
430	A	56.5	Low	66.7	Low	91 Å²	91	133.3 Å²	133.3	75%	0.752	70%	0.696	S	S	*	*			trans	-116.4	94.2	171.7	0	0	0	0	0	108.1	K428	K428-A430 PolarHBondContact O-N 2.97Å
431	S	62	Low	68.1	Low	57 Å²	57	126.6 Å²	126.6	40%	0.399	67%	0.672	S	S	.	*			trans	-170	-24.5	168.5	55.6	0	0	0	0	114.3	K433 E434 I435	S431-K433 VanDerWaalsContact C-N 3.28Å; S431-K433 PolarHBondContact O-N 2.93Å; S431-K433 VanDerWaalsContact O-N 3.1Å; S431-E434 PolarHBondContact O-N 3.3Å; S431-E434 VanDerWaalsContact O-N 3.09Å; S431-I435 WeakPolarHBondContact O-CG1 3.48Å; S431-I435 PolarHBondContact O-N 3.29Å
432	T	69.6	Low	69.6	Low	90 Å²	90	124.4 Å²	124.4	55%	0.552	66%	0.656	S	S	*	*	H	α-helix	trans	-58	-32.6	-169.9	-43.2	0	0	0	0	114.8	Q436	T432-Q436 WeakPolarHBondContact O-CG 3.5Å; T432-Q436 PolarHBondContact O-N 3.25Å
433	K	75.7	Confident	71.4	Confident	171 Å²	171	125.6 Å²	125.6	74%	0.743	65%	0.647	S	S	*	*	H	α-helix	trans	-78.5	-31.2	178.8	-69.9	-167.6	173.8	-167	0	114	S431 Q437	S431-K433 VanDerWaalsContact C-N 3.28Å; S431-K433 PolarHBondContact O-N 2.93Å; S431-K433 VanDerWaalsContact O-N 3.1Å; K433-Q437 PolarHBondContact O-N 2.99Å
434	E	77	Confident	73.3	Confident	139 Å²	139	119.9 Å²	119.9	65%	0.65	62%	0.624	S	S	*	*	H	α-helix	trans	-74.4	-41	180	-68.2	172.1	169.4	0	0	110	S431 Q436 Q437 E438	S431-E434 PolarHBondContact O-N 3.3Å; S431-E434 VanDerWaalsContact O-N 3.09Å; E434-Q436 VanDerWaalsContact C-N 3.31Å; E434-Q436 PolarHBondContact O-N 3.28Å; E434-Q437 PolarHBondContact O-N 2.92Å; E434-E438 PolarHBondContact O-N 3.19Å
435	I	77	Confident	75	Confident	88 Å²	88	114 Å²	114	45%	0.451	59%	0.593	S	S	.	*	H	α-helix	trans	-61.2	-38.4	175	-62	166.3	0	0	0	111.5	S431 E438 L439	S431-I435 WeakPolarHBondContact O-CG1 3.48Å; S431-I435 PolarHBondContact O-N 3.29Å; I435-E438 PolarHBondContact O-N 3.01Å; I435-L439 HydrophobicContact CG2-CD1 4.16Å; I435-L439 WeakPolarHBondContact O-CG 3.45Å; I435-L439 PolarHBondContact O-N 3.18Å; I435-L439 VanDerWaalsContact O-N 3.1Å
436	Q	78.3	Confident	76.7	Confident	108 Å²	108	110.5 Å²	110.5	51%	0.505	58%	0.577	S	S	.	*	H	α-helix	trans	-64.2	-43.9	176.1	-77.1	174.6	-28.3	0	0	112.1	T432 E434 E438 L439 E440	T432-Q436 WeakPolarHBondContact O-CG 3.5Å; T432-Q436 PolarHBondContact O-N 3.25Å; E434-Q436 VanDerWaalsContact C-N 3.31Å; E434-Q436 PolarHBondContact O-N 3.28Å; Q436-E438 PolarHBondContact O-N 3.32Å; Q436-L439 PolarHBondContact O-N 3.18Å; Q436-E440 WeakPolarHBondContact O-CG 3.29Å; Q436-E440 PolarHBondContact O-N 3.43Å
437	Q	80.3	Confident	78.3	Confident	131 Å²	131	111.3 Å²	111.3	61%	0.612	57%	0.567	S	S	*	*	H	α-helix	trans	-65.4	-38	177	-71.2	-177.9	-22.6	0	0	112.4	K433 E434 T441	K433-Q437 PolarHBondContact O-N 2.99Å; E434-Q437 PolarHBondContact O-N 2.92Å; Q437-T441 WeakPolarHBondContact O-CG2 3.15Å; Q437-T441 PolarHBondContact O-N 3.46Å; Q437-T441 VanDerWaalsContact O-N 3.1Å; Q437-T441 PolarHBondContact O-OG1 2.94Å
438	E	81.6	Confident	79.8	Confident	121 Å²	121	102.6 Å²	102.6	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-63.4	-47.7	176.5	-168.7	169.4	-165.4	0	0	111.3	E434 I435 Q436 E440 T441 V442	E434-E438 PolarHBondContact O-N 3.19Å; I435-E438 PolarHBondContact O-N 3.01Å; Q436-E438 PolarHBondContact O-N 3.32Å; E438-E440 PolarHBondContact O-N 3.24Å; E438-T441 PolarHBondContact O-N 2.95Å; E438-T441 VanDerWaalsContact O-N 3.09Å; E438-T441 PolarHBondContact O-OG1 3Å; E438-V442 PolarHBondContact O-N 2.78Å; E438-V442 VanDerWaalsContact O-N 3.08Å
439	L	83.9	Confident	81.4	Confident	109 Å²	109	96.1 Å²	96.1	57%	0.571	50%	0.501	S	S	*	.	H	α-helix	trans	-59.5	-45.9	176.6	-69.8	170.4	0	0	0	112.7	I435 Q436 T441 V442 E443	I435-L439 HydrophobicContact CG2-CD1 4.16Å; I435-L439 WeakPolarHBondContact O-CG 3.45Å; I435-L439 PolarHBondContact O-N 3.18Å; I435-L439 VanDerWaalsContact O-N 3.1Å; Q436-L439 PolarHBondContact O-N 3.18Å; L439-T441 PolarHBondContact O-N 2.91Å; L439-V442 PolarHBondContact O-N 2.97Å; L439-V442 VanDerWaalsContact O-N 3.15Å; L439-E443 PolarHBondContact O-N 3.21Å; L439-E443 VanDerWaalsContact O-N 3.17Å
440	E	86.6	Confident	83.1	Confident	117 Å²	117	93.4 Å²	93.4	55%	0.547	49%	0.489	S	S	.	.	H	α-helix	trans	-59.5	-32.3	175.3	-75.4	174.7	-164.5	0	0	112.5	Q436 E438 Q444	Q436-E440 WeakPolarHBondContact O-CG 3.29Å; Q436-E440 PolarHBondContact O-N 3.43Å; E438-E440 PolarHBondContact O-N 3.24Å; E440-Q444 VanDerWaalsContact O-CG 3.27Å; E440-Q444 WeakPolarHBondContact O-CG 3.27Å; E440-Q444 PolarHBondContact O-N 2.86Å; E440-Q444 PolarHBondContact O-NE2 3.44Å
441	T	86.2	Confident	85	Confident	59 Å²	59	92.7 Å²	92.7	36%	0.362	47%	0.47	S	S	.	.	H	α-helix	trans	-76.2	-31.9	175.9	61.5	0	0	0	0	113.7	Q437 E438 L439 Q444 D445	Q437-T441 WeakPolarHBondContact O-CG2 3.15Å; Q437-T441 PolarHBondContact O-N 3.46Å; Q437-T441 VanDerWaalsContact O-N 3.1Å; Q437-T441 PolarHBondContact O-OG1 2.94Å; E438-T441 PolarHBondContact O-N 2.95Å; E438-T441 VanDerWaalsContact O-N 3.09Å; E438-T441 PolarHBondContact O-OG1 3Å; L439-T441 PolarHBondContact O-N 2.91Å; T441-Q444 PolarHBondContact O-N 3.33Å; T441-D445 PolarHBondContact O-N 2.9Å; T441-D445 VanDerWaalsContact O-N 3.08Å
442	V	88.7	Confident	86.6	Confident	71 Å²	71	90 Å²	90	43%	0.43	45%	0.451	S	S	.	.	H	α-helix	trans	-67.7	-46.9	176.7	174.5	0	0	0	0	110.6	E438 L439 Q444 D445 E446	E438-V442 PolarHBondContact O-N 2.78Å; E438-V442 VanDerWaalsContact O-N 3.08Å; L439-V442 PolarHBondContact O-N 2.97Å; L439-V442 VanDerWaalsContact O-N 3.15Å; V442-Q444 PolarHBondContact O-N 2.85Å; V442-D445 PolarHBondContact O-N 3.2Å; V442-D445 VanDerWaalsContact O-N 3.1Å; V442-E446 PolarHBondContact O-N 3.42Å
443	E	91.3	Very high	87.8	Confident	109 Å²	109	89.3 Å²	89.3	51%	0.509	44%	0.443	S	S	.	.	H	α-helix	trans	-59.8	-34	176.4	-73.8	-168.4	-157.6	0	0	113.1	L439 K447	L439-E443 PolarHBondContact O-N 3.21Å; L439-E443 VanDerWaalsContact O-N 3.17Å; E443-K447 VanDerWaalsContact O-CD 3.28Å; E443-K447 WeakPolarHBondContact O-CD 3.27Å; E443-K447 VanDerWaalsContact O-CG 3.25Å; E443-K447 WeakPolarHBondContact O-CG 3.49Å; E443-K447 PolarHBondContact O-N 2.86Å; E443-K447 IonicContact OE2-NZ 3.97Å; E443-K447 PolarHBondContact OE2-NZ 3.43Å
444	Q	90.2	Very high	88.7	Confident	79 Å²	79	82.9 Å²	82.9	37%	0.369	43%	0.426	S	S	.	.	H	α-helix	trans	-70.9	-39	176.5	-73.4	179.7	50.7	0	0	111.7	E440 T441 V442 K447 V448	E440-Q444 VanDerWaalsContact O-CG 3.27Å; E440-Q444 WeakPolarHBondContact O-CG 3.27Å; E440-Q444 PolarHBondContact O-N 2.86Å; E440-Q444 PolarHBondContact O-NE2 3.44Å; T441-Q444 PolarHBondContact O-N 3.33Å; V442-Q444 PolarHBondContact O-N 2.85Å; Q444-K447 PolarHBondContact O-N 3.1Å; Q444-V448 WeakPolarHBondContact O-CG2 3.4Å; Q444-V448 PolarHBondContact O-N 3.32Å
445	D	90.9	Very high	89.6	Confident	48 Å²	48	77.5 Å²	77.5	26%	0.257	40%	0.4	S	S	.	.	H	α-helix	trans	-67.1	-38.6	177.2	-66.6	-14.1	0	0	0	111.7	T441 V442 V448 L449 K549	T441-D445 PolarHBondContact O-N 2.9Å; T441-D445 VanDerWaalsContact O-N 3.08Å; V442-D445 PolarHBondContact O-N 3.2Å; V442-D445 VanDerWaalsContact O-N 3.1Å; D445-V448 PolarHBondContact O-N 3.18Å; D445-L449 WeakPolarHBondContact O-CB 2.94Å; D445-L449 WeakPolarHBondContact O-CG 3.22Å; D445-L449 PolarHBondContact O-N 3.08Å; D445-K549 WeakPolarHBondContact OD1-CE 3.4Å; D445-K549 IonicContact OD1-NZ 3.28Å; D445-K549 PolarHBondContact OD1-NZ 2.87Å; D445-K549 WeakPolarHBondContact OD2-CE 3.44Å; D445-K549 IonicContact OD2-NZ 2.67Å; D445-K549 PolarHBondContact OD2-NZ 3.15Å
446	E	92.5	Very high	90.4	Very high	126 Å²	126	73.8 Å²	73.8	59%	0.589	38%	0.381	S	S	*	.	H	α-helix	trans	-63.3	-44.1	174.1	-72	-177.8	177.4	0	0	112.3	V442 V448 L449 A450	V442-E446 PolarHBondContact O-N 3.42Å; E446-V448 VanDerWaalsContact C-N 3.31Å; E446-V448 PolarHBondContact O-N 2.61Å; E446-L449 PolarHBondContact O-N 3.26Å; E446-A450 PolarHBondContact O-N 3.32Å
447	K	94.2	Very high	91.3	Very high	121 Å²	121	73.3 Å²	73.3	53%	0.526	38%	0.377	S	S	.	.	H	α-helix	trans	-61.5	-39.7	175.3	-71.9	161.7	-170.5	155	0	111.3	E443 Q444 E451	E443-K447 VanDerWaalsContact O-CD 3.28Å; E443-K447 WeakPolarHBondContact O-CD 3.27Å; E443-K447 VanDerWaalsContact O-CG 3.25Å; E443-K447 WeakPolarHBondContact O-CG 3.49Å; E443-K447 PolarHBondContact O-N 2.86Å; E443-K447 IonicContact OE2-NZ 3.97Å; E443-K447 PolarHBondContact OE2-NZ 3.43Å; Q444-K447 PolarHBondContact O-N 3.1Å; K447-E451 PolarHBondContact O-N 3.42Å
448	V	94.2	Very high	92	Very high	13 Å²	13	75 Å²	75	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-64.8	-46.1	173.8	163.5	0	0	0	0	111.7	Q444 D445 E446 A450 E451 E452 I547 Y616	Q444-V448 WeakPolarHBondContact O-CG2 3.4Å; Q444-V448 PolarHBondContact O-N 3.32Å; D445-V448 PolarHBondContact O-N 3.18Å; E446-V448 VanDerWaalsContact C-N 3.31Å; E446-V448 PolarHBondContact O-N 2.61Å; V448-A450 VanDerWaalsContact C-N 3.32Å; V448-A450 PolarHBondContact O-N 2.86Å; V448-E451 PolarHBondContact O-N 3.45Å; V448-E451 VanDerWaalsContact O-N 3.16Å; V448-E452 PolarHBondContact O-N 2.79Å; V448-I547 HydrophobicContact CG1-CD1 4.12Å; V448-Y616 HydrophobicContact CB-CE2 4.44Å; V448-Y616 HydrophobicContact CG1-CD2 3.52Å; V448-Y616 HydrophobicContact CG1-CE2 3.27Å; V448-Y616 HydrophobicContact CG1-CG 4.45Å; V448-Y616 HydrophobicContact CG2-CE2 4.31Å
449	L	93.7	Very high	92.6	Very high	47 Å²	47	72.1 Å²	72.1	25%	0.246	36%	0.362	C	S	.	.	H	α-helix	trans	-60.2	-39.9	177.3	-80.6	164	0	0	0	112.4	D445 E446 E452 L453 P545 I547	D445-L449 WeakPolarHBondContact O-CB 2.94Å; D445-L449 WeakPolarHBondContact O-CG 3.22Å; D445-L449 PolarHBondContact O-N 3.08Å; E446-L449 PolarHBondContact O-N 3.26Å; L449-E452 PolarHBondContact O-N 3.47Å; L449-L453 WeakPolarHBondContact O-CB 3.39Å; L449-L453 PolarHBondContact O-N 3.24Å; L449-P545 HydrophobicContact CD1-CB 4.41Å; L449-I547 HydrophobicContact CD2-CD1 3.53Å; L449-I547 HydrophobicContact CD2-CG1 4.32Å; L449-I547 HydrophobicContact CG-CD1 3.69Å
450	A	95.1	Very high	93.2	Very high	66 Å²	66	67.5 Å²	67.5	55%	0.545	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-41.7	174.9	0	0	0	0	0	111.8	E446 V448 L453 G454	E446-A450 PolarHBondContact O-N 3.32Å; V448-A450 VanDerWaalsContact C-N 3.32Å; V448-A450 PolarHBondContact O-N 2.86Å; A450-L453 WeakPolarHBondContact O-CB 3.5Å; A450-L453 PolarHBondContact O-N 2.92Å; A450-G454 PolarHBondContact O-N 3.21Å; A450-G454 VanDerWaalsContact O-N 3.09Å
451	E	95.8	Very high	93.7	Very high	77 Å²	77	62.7 Å²	62.7	36%	0.36	32%	0.318	S	S	.	.	H	α-helix	trans	-67.9	-42.5	176	-160.2	-170.1	144.3	0	0	112.3	K447 V448 L453 G454 R455 F599	K447-E451 PolarHBondContact O-N 3.42Å; V448-E451 PolarHBondContact O-N 3.45Å; V448-E451 VanDerWaalsContact O-N 3.16Å; E451-L453 VanDerWaalsContact C-N 3.28Å; E451-L453 PolarHBondContact O-N 3.12Å; E451-G454 PolarHBondContact O-N 2.98Å; E451-G454 VanDerWaalsContact O-N 3.17Å; E451-R455 WeakPolarHBondContact O-CG 3.46Å; E451-R455 PolarHBondContact O-N 3.4Å; E451-R455 IonicContact OE1-CZ 3.51Å; E451-R455 VanDerWaalsContact OE1-CZ 3.28Å; E451-R455 IonicContact OE1-NE 2.73Å; E451-R455 PolarHBondContact OE1-NE 3.05Å; E451-R455 VanDerWaalsContact OE1-NE 3.08Å; E451-R455 IonicContact OE1-NH2 3.27Å; E451-R455 PolarHBondContact OE1-NH2 3.34Å; E451-F599 HydrophobicContact CB-CE1 4.25Å; E451-F599 HydrophobicContact CB-CZ 4.42Å; E451-F599 HydrophobicContact CG-CE1 4.22Å; E451-F599 HydrophobicContact CG-CZ 4.5Å
452	E	95.1	Very high	94.2	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-55.3	-44.4	171.5	-73.6	-159.3	149	0	0	111.8	V448 L449 G454 R455 L456 F599 L615 Y616 R618	V448-E452 PolarHBondContact O-N 2.79Å; L449-E452 PolarHBondContact O-N 3.47Å; E452-G454 VanDerWaalsContact C-N 3.31Å; E452-G454 PolarHBondContact O-N 2.91Å; E452-R455 PolarHBondContact O-N 2.79Å; E452-L456 WeakPolarHBondContact O-CB 3.45Å; E452-L456 WeakPolarHBondContact O-CG 3.24Å; E452-L456 PolarHBondContact O-N 3.3Å; E452-F599 HydrophobicContact CG-CE2 4.05Å; E452-F599 HydrophobicContact CG-CZ 3.94Å; E452-L615 HydrophobicContact CB-CD2 4.35Å; E452-L615 HydrophobicContact CG-CD2 4.37Å; E452-Y616 WeakPolarHBondContact OE1-CA 3.21Å; E452-Y616 WeakPolarHBondContact OE1-CB 3.09Å; E452-Y616 PolarHBondContact OE1-N 3Å; E452-R618 IonicContact OE2-CZ 2.98Å; E452-R618 IonicContact OE2-NE 3.73Å; E452-R618 IonicContact OE2-NH2 2.67Å; E452-R618 PolarHBondContact OE2-NH2 3.21Å
453	L	94.4	Very high	94.6	Very high	74 Å²	74	57.6 Å²	57.6	39%	0.387	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-42	178.7	-163.9	96.8	0	0	0	111	L449 A450 E451 L456 K457	L449-L453 WeakPolarHBondContact O-CB 3.39Å; L449-L453 PolarHBondContact O-N 3.24Å; A450-L453 WeakPolarHBondContact O-CB 3.5Å; A450-L453 PolarHBondContact O-N 2.92Å; E451-L453 VanDerWaalsContact C-N 3.28Å; E451-L453 PolarHBondContact O-N 3.12Å; L453-L456 PolarHBondContact O-N 3.14Å; L453-K457 WeakPolarHBondContact O-CG 3.45Å; L453-K457 PolarHBondContact O-N 2.92Å
454	G	95.6	Very high	94.9	Very high	37 Å²	37	52.4 Å²	52.4	38%	0.381	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-46.7	175.3	0	0	0	0	0	113	A450 E451 E452 L456 K457 R458	A450-G454 PolarHBondContact O-N 3.21Å; A450-G454 VanDerWaalsContact O-N 3.09Å; E451-G454 PolarHBondContact O-N 2.98Å; E451-G454 VanDerWaalsContact O-N 3.17Å; E452-G454 VanDerWaalsContact C-N 3.31Å; E452-G454 PolarHBondContact O-N 2.91Å; G454-L456 VanDerWaalsContact C-N 3.29Å; G454-L456 PolarHBondContact O-N 2.85Å; G454-K457 PolarHBondContact O-N 2.83Å; G454-R458 PolarHBondContact O-N 2.92Å
455	R	95.6	Very high	95.2	Very high	25 Å²	25	50.2 Å²	50.2	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-57	-43.7	174.7	-70	171.7	-178.3	-138.5	-2.9	111.5	E451 E452 R458 R459 F599 V614 L615	E451-R455 WeakPolarHBondContact O-CG 3.46Å; E451-R455 PolarHBondContact O-N 3.4Å; E451-R455 IonicContact OE1-CZ 3.51Å; E451-R455 VanDerWaalsContact OE1-CZ 3.28Å; E451-R455 IonicContact OE1-NE 2.73Å; E451-R455 PolarHBondContact OE1-NE 3.05Å; E451-R455 VanDerWaalsContact OE1-NE 3.08Å; E451-R455 IonicContact OE1-NH2 3.27Å; E451-R455 PolarHBondContact OE1-NH2 3.34Å; E452-R455 PolarHBondContact O-N 2.79Å; R455-R458 PolarHBondContact O-N 3.4Å; R455-R459 VanDerWaalsContact O-CB 3.32Å; R455-R459 WeakPolarHBondContact O-CB 3.49Å; R455-R459 PolarHBondContact O-N 2.73Å; R455-F599 VanDerWaalsContact CZ-CZ 3.47Å; R455-F599 VanDerWaalsContact CZ-O 3.22Å; R455-F599 PolarHBondContact NH1-O 3.27Å; R455-F599 PolarHBondContact NH2-O 3.43Å; R455-V614 PolarHBondContact NH1-O 3.1Å; R455-L615 HydrophobicContact CB-CD2 4.46Å
456	L	95	Very high	95.5	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.058	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-40.4	177.6	-77.5	164.6	0	0	0	113.1	E452 L453 G454 R458 R459 D460 R540 L543 L615	E452-L456 WeakPolarHBondContact O-CB 3.45Å; E452-L456 WeakPolarHBondContact O-CG 3.24Å; E452-L456 PolarHBondContact O-N 3.3Å; L453-L456 PolarHBondContact O-N 3.14Å; G454-L456 VanDerWaalsContact C-N 3.29Å; G454-L456 PolarHBondContact O-N 2.85Å; L456-R458 PolarHBondContact O-N 3.26Å; L456-R459 PolarHBondContact O-N 2.72Å; L456-D460 WeakPolarHBondContact O-CB 3.49Å; L456-D460 PolarHBondContact O-N 2.98Å; L456-R540 VanDerWaalsContact CD1-NH2 3.31Å; L456-L543 HydrophobicContact CD1-CD1 3.29Å; L456-L615 HydrophobicContact CD1-CD1 4.19Å; L456-L615 HydrophobicContact CD1-CD2 4.26Å; L456-L615 HydrophobicContact CD2-CD1 3.9Å; L456-L615 HydrophobicContact CD2-CD2 4.49Å; L456-L615 HydrophobicContact CG-CD1 4.19Å; L456-L615 HydrophobicContact CG-CD2 4.02Å
457	K	95.5	Very high	95.6	Very high	98 Å²	98	43.8 Å²	43.8	43%	0.426	22%	0.221	S	C	.	.	H	α-helix	trans	-57.9	-47.7	172.6	-75.3	178.3	179.7	-170	0	111.2	L453 G454 D460 A461 Q534	L453-K457 WeakPolarHBondContact O-CG 3.45Å; L453-K457 PolarHBondContact O-N 2.92Å; G454-K457 PolarHBondContact O-N 2.83Å; K457-D460 PolarHBondContact O-N 2.82Å; K457-A461 WeakPolarHBondContact O-CB 3.45Å; K457-A461 PolarHBondContact O-N 2.89Å; K457-Q534 VanDerWaalsContact CE-OE1 3.24Å
458	R	95.3	Very high	95.7	Very high	165 Å²	165	43 Å²	43	62%	0.623	22%	0.219	S	C	*	.	H	α-helix	trans	-61.6	-44.3	176.9	-173.2	-180	-178.1	-171.7	1.1	112	G454 R455 L456 A461 C462	G454-R458 PolarHBondContact O-N 2.92Å; R455-R458 PolarHBondContact O-N 3.4Å; L456-R458 PolarHBondContact O-N 3.26Å; R458-A461 PolarHBondContact O-N 3.25Å; R458-C462 PolarHBondContact O-N 3.14Å; R458-C462 PolarHBondContact O-SG 2.86Å
459	R	95.4	Very high	95.8	Very high	62 Å²	62	42.7 Å²	42.7	23%	0.234	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-45.8	176.8	-174.2	-157.9	77.5	137.7	1.8	112.2	R455 L456 C462 R463 D556 T613	R455-R459 VanDerWaalsContact O-CB 3.32Å; R455-R459 WeakPolarHBondContact O-CB 3.49Å; R455-R459 PolarHBondContact O-N 2.73Å; L456-R459 PolarHBondContact O-N 2.72Å; R459-C462 PolarHBondContact O-N 2.9Å; R459-R463 VanDerWaalsContact CG-NH2 3.31Å; R459-R463 WeakPolarHBondContact O-CD 3.31Å; R459-R463 WeakPolarHBondContact O-CG 3.48Å; R459-D556 IonicContact NH1-OD1 2.62Å; R459-D556 IonicContact NH1-OD2 3Å; R459-T613 WeakPolarHBondContact CD-OG1 3.3Å; R459-T613 VanDerWaalsContact CG-OG1 3.29Å; R459-T613 WeakPolarHBondContact CG-OG1 3.42Å
460	D	96.7	Very high	95.8	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.064	21%	0.207	C	C	.	.	H	α-helix	trans	-68.7	-35.4	-179.2	-66.5	-11	0	0	0	111	L456 K457 C462 R463 C532 G533	L456-D460 WeakPolarHBondContact O-CB 3.49Å; L456-D460 PolarHBondContact O-N 2.98Å; K457-D460 PolarHBondContact O-N 2.82Å; D460-C462 VanDerWaalsContact C-N 3.31Å; D460-C462 PolarHBondContact O-N 3.32Å; D460-R463 PolarHBondContact O-N 3.37Å; D460-C532 HydrophobicContact CB-CB 3.95Å; D460-G533 WeakPolarHBondContact OD2-CA 3.41Å
461	A	96.7	Very high	95.7	Very high	15 Å²	15	45.1 Å²	45.1	12%	0.124	21%	0.21	C	C	.	.	H	α-helix	trans	-66.7	-26.6	174	0	0	0	0	0	114.2	K457 R458 R463 E506 T509	K457-A461 WeakPolarHBondContact O-CB 3.45Å; K457-A461 PolarHBondContact O-N 2.89Å; R458-A461 PolarHBondContact O-N 3.25Å; A461-R463 VanDerWaalsContact C-N 3.25Å; A461-R463 PolarHBondContact O-N 3.48Å; A461-E506 HydrophobicContact CB-CB 4.23Å; A461-E506 HydrophobicContact CB-CG 4Å; A461-T509 VanDerWaalsContact O-CB 3.29Å; A461-T509 WeakPolarHBondContact O-CB 3.35Å; A461-T509 WeakPolarHBondContact O-CG2 3.32Å; A461-T509 PolarHBondContact O-OG1 3.35Å
462	C	96.1	Very high	95.5	Very high	17 Å²	17	47 Å²	47	12%	0.115	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	11.8	173.9	-67.1	0	0	0	0	113.5	R458 R459 D460 F503 T509	R458-C462 PolarHBondContact O-N 3.14Å; R458-C462 PolarHBondContact O-SG 2.86Å; R459-C462 PolarHBondContact O-N 2.9Å; D460-C462 VanDerWaalsContact C-N 3.31Å; D460-C462 PolarHBondContact O-N 3.32Å; C462-F503 PolarHBondContact O-N 3.1Å; C462-T509 WeakPolarHBondContact CA-OG1 3.36Å
463	R	97	Very high	95.4	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.8	-171.3	-67.4	179.3	-170	179.8	6.9	115.5	R459 D460 A461 L501 I502 C532 D556	R459-R463 VanDerWaalsContact CG-NH2 3.31Å; R459-R463 WeakPolarHBondContact O-CD 3.31Å; R459-R463 WeakPolarHBondContact O-CG 3.48Å; D460-R463 PolarHBondContact O-N 3.37Å; A461-R463 VanDerWaalsContact C-N 3.25Å; A461-R463 PolarHBondContact O-N 3.48Å; R463-L501 VanDerWaalsContact CA-O 3.26Å; R463-L501 WeakPolarHBondContact CA-O 3.46Å; R463-I502 HydrophobicContact CG-CG1 4.37Å; R463-C532 HydrophobicContact CB-CB 4.3Å; R463-D556 IonicContact CZ-OD1 2.73Å; R463-D556 IonicContact CZ-OD2 3.5Å; R463-D556 VanDerWaalsContact CZ-OD2 3.27Å; R463-D556 IonicContact NH1-OD1 2.61Å; R463-D556 PolarHBondContact NH1-OD1 2.6Å; R463-D556 IonicContact NH1-OD2 3.46Å; R463-D556 PolarHBondContact NH1-OD2 3.17Å; R463-D556 VanDerWaalsContact NH2-CB 3.34Å; R463-D556 IonicContact NH2-OD1 2.61Å; R463-D556 IonicContact NH2-OD2 2.86Å; R463-D556 PolarHBondContact NH2-OD2 2.81Å
464	L	97.5	Very high	95.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.1	168.5	-62.7	-179.8	0	0	0	110.1	F500 L501 F503 T509 Y513 L516 V529 D530 Y531	L464-F500 CarbonylContact O-C 3.28Å; L464-F500 VanDerWaalsContact O-CA 3.26Å; L464-F500 WeakPolarHBondContact O-CA 3.4Å; L464-L501 PolarHBondContact N-O 3.08Å; L464-L501 PolarHBondContact O-N 2.98Å; L464-F503 HydrophobicContact CB-CE2 4.31Å; L464-F503 HydrophobicContact CD1-CE2 3.81Å; L464-F503 HydrophobicContact CD1-CZ 4.32Å; L464-F503 HydrophobicContact CG-CE2 3.89Å; L464-T509 HydrophobicContact CD1-CG2 4.39Å; L464-T509 HydrophobicContact CD2-CG2 3.6Å; L464-T509 HydrophobicContact CG-CG2 3.66Å; L464-Y513 HydrophobicContact CD1-CD2 4.31Å; L464-Y513 HydrophobicContact CD2-CD2 3.79Å; L464-Y513 HydrophobicContact CD2-CG 4.24Å; L464-L516 HydrophobicContact CD1-CD1 4.1Å; L464-V529 HydrophobicContact CB-CG1 3.93Å; L464-V529 HydrophobicContact CD1-CG1 3.88Å; L464-V529 HydrophobicContact CG-CG1 4.36Å; L464-D530 CarbonylContact C-O 3.55Å; L464-D530 WeakPolarHBondContact CA-O 3.2Å; L464-Y531 HydrophobicContact CD2-CD1 3.6Å; L464-Y531 HydrophobicContact CD2-CE1 3.88Å; L464-Y531 HydrophobicContact CD2-CG 4.34Å
465	F	97	Very high	95	Very high	32 Å²	32	47.9 Å²	47.9	14%	0.14	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.8	168.7	174.9	-106.9	0	0	0	108.9	N467 Y498 F500 V529 D530	F465-N467 HydrophobicContact CE1-CB 3.79Å; F465-N467 HydrophobicContact CZ-CB 4.16Å; F465-Y498 AromaticContact CE2-CD2 3.62Å; F465-Y498 HydrophobicContact CE2-CD2 3.62Å; F465-Y498 HydrophobicContact CE2-CE2 4.39Å; F465-Y498 HydrophobicContact CE2-CG 4.08Å; F465-Y498 HydrophobicContact CZ-CD2 4.3Å; F465-Y498 HydrophobicContact CZ-CG 4.33Å; F465-F500 HydrophobicContact CB-CD1 4.32Å; F465-F500 HydrophobicContact CB-CE1 4.33Å; F465-F500 HydrophobicContact CD2-CD1 4.09Å; F465-F500 AromaticContact CD2-CE1 3.63Å; F465-F500 HydrophobicContact CD2-CE1 3.63Å; F465-F500 AromaticContact CD2-CZ 3.96Å; F465-F500 HydrophobicContact CD2-CZ 3.96Å; F465-F500 HydrophobicContact CE2-CE1 4.49Å; F465-F500 HydrophobicContact CE2-CZ 4.4Å; F465-F500 HydrophobicContact CG-CE1 4.45Å; F465-V529 WeakPolarHBondContact O-CA 3.44Å; F465-D530 HydrophobicContact CB-CB 4.49Å; F465-D530 HydrophobicContact CD1-CB 4.25Å; F465-D530 PolarHBondContact N-O 3.16Å; F465-D530 PolarHBondContact O-N 3.38Å
466	I	96.9	Very high	94.9	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.3	178.1	-60.7	-156.3	0	0	0	109.5	L469 Y498 G499 L501 F520 V527 V528 V529	I466-L469 HydrophobicContact CG2-CD1 4.33Å; I466-L469 HydrophobicContact CG2-CD2 3.67Å; I466-L469 HydrophobicContact CG2-CG 3.8Å; I466-Y498 CarbonylContact O-C 3.5Å; I466-Y498 WeakPolarHBondContact O-CA 3.46Å; I466-Y498 WeakPolarHBondContact O-CB 3.16Å; I466-G499 PolarHBondContact N-O 2.75Å; I466-G499 PolarHBondContact O-N 2.96Å; I466-L501 HydrophobicContact CD1-CD1 3.46Å; I466-L501 VanDerWaalsContact CD1-CD1 3.46Å; I466-L501 HydrophobicContact CD1-CD2 3.94Å; I466-L501 HydrophobicContact CD1-CG 3.46Å; I466-L501 VanDerWaalsContact CD1-CG 3.46Å; I466-L501 HydrophobicContact CG1-CD1 4.45Å; I466-L501 HydrophobicContact CG1-CG 4.07Å; I466-F520 HydrophobicContact CD1-CE1 3.84Å; I466-V527 HydrophobicContact CG2-CG1 3.13Å; I466-V528 WeakPolarHBondContact CA-O 3.18Å; I466-V529 HydrophobicContact CD1-CG2 3.97Å; I466-V529 HydrophobicContact CG1-CG1 4.27Å; I466-V529 HydrophobicContact CG1-CG2 4.08Å
467	N	95.9	Very high	94.8	Very high	40 Å²	40	55.9 Å²	55.9	21%	0.214	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	159.4	177.8	-162.5	19.5	0	0	0	111.4	F465 L469 V527 V528	F465-N467 HydrophobicContact CE1-CB 3.79Å; F465-N467 HydrophobicContact CZ-CB 4.16Å; N467-L469 VanDerWaalsContact C-N 3.34Å; N467-V527 WeakPolarHBondContact O-CG1 3.45Å; N467-V528 HydrophobicContact CB-CB 4.4Å; N467-V528 PolarHBondContact N-O 3.46Å; N467-V528 PolarHBondContact O-N 2.87Å; N467-V528 VanDerWaalsContact O-N 3.1Å
468	H	95.8	Very high	94.8	Very high	105 Å²	105	51.3 Å²	51.3	49%	0.486	24%	0.243	S	C	.	.	S	Bend	trans	64.6	27.8	-176.4	-49.4	-88.5	0	0	0	115.3	P470 K497	H468-P470 WeakPolarHBondContact O-CD 3.26Å; H468-K497 CarbonylContact C-O 3.54Å; H468-K497 WeakPolarHBondContact CA-O 3.33Å; H468-K497 PolarHBondContact N-O 3.47Å
469	L	95.3	Very high	94.7	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	23%	0.233	C	C	.	.			trans	-58.9	128.8	170.6	-72.6	176.4	0	0	0	111.3	I466 N467 I478 L488 K497 I522 V527	I466-L469 HydrophobicContact CG2-CD1 4.33Å; I466-L469 HydrophobicContact CG2-CD2 3.67Å; I466-L469 HydrophobicContact CG2-CG 3.8Å; N467-L469 VanDerWaalsContact C-N 3.34Å; L469-I478 HydrophobicContact CD2-CD1 3.81Å; L469-L488 HydrophobicContact CD1-CD1 4.26Å; L469-K497 PolarHBondContact N-O 3.19Å; L469-I522 HydrophobicContact CD2-CD1 3.82Å; L469-V527 HydrophobicContact CD2-CG1 4.22Å
470	P	94.6	Very high	94.6	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.032	26%	0.258	C	S	.	.			trans	-60.5	143	167.8	-5.5	9.9	0	0	0	111.5	H468 D472 V473 K523 K525	H468-P470 WeakPolarHBondContact O-CD 3.26Å; P470-D472 PolarHBondContact O-N 3.41Å; P470-V473 HydrophobicContact CB-CG2 3.78Å; P470-V473 HydrophobicContact CG-CG2 3.52Å; P470-V473 WeakPolarHBondContact O-CB 3.26Å; P470-V473 WeakPolarHBondContact O-CG2 3.41Å; P470-V473 PolarHBondContact O-N 3.48Å; P470-K523 HydrophobicContact CG-CB 4.49Å; P470-K525 HydrophobicContact CB-CD 4.1Å; P470-K525 HydrophobicContact CG-CB 4.22Å; P470-K525 HydrophobicContact CG-CD 4.05Å; P470-K525 HydrophobicContact CG-CG 4.38Å
471	R	93.3	Very high	94.5	Very high	160 Å²	160	52.2 Å²	52.2	60%	0.604	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-40	-179.6	-71.4	-177.6	168.6	167.7	-2.9	112.4	V473 D495	R471-V473 PolarHBondContact O-N 2.97Å; R471-D495 HydrophobicContact CG-CB 4.26Å
472	D	91.7	Very high	94.3	Very high	117 Å²	117	51.6 Å²	51.6	63%	0.626	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	7.2	-174.4	-35.8	-63.6	0	0	0	113.7	P470 T474 K523	P470-D472 PolarHBondContact O-N 3.41Å; D472-T474 PolarHBondContact O-N 3.01Å; D472-K523 PolarHBondContact O-NZ 2.86Å
473	V	92.9	Very high	94.1	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.024	29%	0.29	C	S	.	.			trans	-82	114.9	-179.5	175.9	0	0	0	0	110.6	P470 R471 D477 I478 K490 I522 K523	P470-V473 HydrophobicContact CB-CG2 3.78Å; P470-V473 HydrophobicContact CG-CG2 3.52Å; P470-V473 WeakPolarHBondContact O-CB 3.26Å; P470-V473 WeakPolarHBondContact O-CG2 3.41Å; P470-V473 PolarHBondContact O-N 3.48Å; R471-V473 PolarHBondContact O-N 2.97Å; V473-D477 HydrophobicContact CG1-CB 4.15Å; V473-I478 HydrophobicContact CG1-CD1 3.69Å; V473-I478 HydrophobicContact CG1-CG1 3.41Å; V473-I478 VanDerWaalsContact CG1-CG1 3.41Å; V473-K490 PolarHBondContact O-NZ 3.1Å; V473-I522 HydrophobicContact CG1-CG2 4.23Å; V473-I522 HydrophobicContact CG2-CG2 3.53Å; V473-K523 HydrophobicContact CG2-CD 4.18Å
474	T	91.7	Very high	93.9	Very high	68 Å²	68	61.2 Å²	61.2	42%	0.417	32%	0.318	S	S	.	.			trans	-79.5	165	172.6	66.7	0	0	0	0	110.9	D472 E476 D477	D472-T474 PolarHBondContact O-N 3.01Å; T474-E476 PolarHBondContact O-N 3.05Å; T474-E476 PolarHBondContact OG1-N 3.29Å; T474-D477 WeakPolarHBondContact CB-OD2 3.38Å; T474-D477 PolarHBondContact N-OD2 3.41Å; T474-D477 PolarHBondContact O-N 3.46Å; T474-D477 PolarHBondContact OG1-N 3.18Å; T474-D477 VanDerWaalsContact OG1-N 3.12Å; T474-D477 PolarHBondContact OG1-OD2 3.38Å
475	V	89.1	Confident	93.8	Very high	57 Å²	57	61.8 Å²	61.8	35%	0.345	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-32.2	173.3	-178.2	0	0	0	0	110.9	I478 K479 L488	V475-I478 PolarHBondContact O-N 3.44Å; V475-K479 HydrophobicContact CG1-CD 4.13Å; V475-K479 HydrophobicContact CG1-CG 4.43Å; V475-K479 WeakPolarHBondContact O-CG 3.48Å; V475-K479 PolarHBondContact O-N 3.43Å; V475-L488 HydrophobicContact CG1-CB 4.21Å; V475-L488 HydrophobicContact CG2-CB 4.32Å; V475-L488 HydrophobicContact CG2-CD2 4.42Å
476	E	92.9	Very high	93.7	Very high	155 Å²	155	62.4 Å²	62.4	72%	0.724	33%	0.326	S	S	*	.	H	α-helix	trans	-67.8	-44.1	179.7	-61.3	-179.8	-172.1	0	0	112.1	T474 I478 K479 A480	T474-E476 PolarHBondContact O-N 3.05Å; T474-E476 PolarHBondContact OG1-N 3.29Å; E476-I478 PolarHBondContact O-N 3.28Å; E476-K479 PolarHBondContact O-N 3.18Å; E476-K479 VanDerWaalsContact O-N 3.17Å; E476-A480 WeakPolarHBondContact O-CB 3.29Å; E476-A480 PolarHBondContact O-N 3.21Å
477	D	93.9	Very high	93.5	Very high	50 Å²	50	63.3 Å²	63.3	27%	0.267	33%	0.33	S	S	.	.	H	α-helix	trans	-52.9	-43.6	175	-66.6	-56.4	0	0	0	111.3	V473 T474 T481 K523	V473-D477 HydrophobicContact CG1-CB 4.15Å; T474-D477 WeakPolarHBondContact CB-OD2 3.38Å; T474-D477 PolarHBondContact N-OD2 3.41Å; T474-D477 PolarHBondContact O-N 3.46Å; T474-D477 PolarHBondContact OG1-N 3.18Å; T474-D477 VanDerWaalsContact OG1-N 3.12Å; T474-D477 PolarHBondContact OG1-OD2 3.38Å; D477-T481 PolarHBondContact O-N 3.42Å; D477-T481 PolarHBondContact O-OG1 3.05Å; D477-K523 VanDerWaalsContact CG-CE 3.49Å; D477-K523 IonicContact OD1-NZ 2.6Å; D477-K523 PolarHBondContact OD1-NZ 2.73Å; D477-K523 VanDerWaalsContact OD2-CE 3.27Å; D477-K523 WeakPolarHBondContact OD2-CE 3.39Å; D477-K523 IonicContact OD2-NZ 2.64Å; D477-K523 PolarHBondContact OD2-NZ 2.95Å
478	I	94.2	Very high	93.5	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-72.8	-43.5	-179.8	-57.7	-150.7	0	0	0	111	L469 V473 V475 E476 A480 T481 V482 L488 L501 I522	L469-I478 HydrophobicContact CD2-CD1 3.81Å; V473-I478 HydrophobicContact CG1-CD1 3.69Å; V473-I478 HydrophobicContact CG1-CG1 3.41Å; V473-I478 VanDerWaalsContact CG1-CG1 3.41Å; V475-I478 PolarHBondContact O-N 3.44Å; E476-I478 PolarHBondContact O-N 3.28Å; I478-A480 VanDerWaalsContact C-N 3.27Å; I478-A480 PolarHBondContact O-N 3.2Å; I478-T481 PolarHBondContact O-N 2.9Å; I478-T481 VanDerWaalsContact O-N 3.08Å; I478-V482 HydrophobicContact CG2-CG2 4.48Å; I478-V482 PolarHBondContact O-N 2.94Å; I478-L488 HydrophobicContact CD1-CD1 3.95Å; I478-L488 HydrophobicContact CD1-CD2 3.59Å; I478-L488 HydrophobicContact CD1-CG 4.28Å; I478-L488 HydrophobicContact CG1-CD2 4.14Å; I478-L501 HydrophobicContact CG2-CD2 3.61Å; I478-I522 HydrophobicContact CD1-CD1 3.97Å; I478-I522 HydrophobicContact CG1-CD1 4.18Å
479	K	93.2	Very high	93.3	Very high	98 Å²	98	57.3 Å²	57.3	43%	0.426	30%	0.301	S	S	.	.	H	α-helix	trans	-62	-33.5	176.9	-76	-177.9	172.9	-169.7	0	112.8	V475 E476 L486	V475-K479 HydrophobicContact CG1-CD 4.13Å; V475-K479 HydrophobicContact CG1-CG 4.43Å; V475-K479 WeakPolarHBondContact O-CG 3.48Å; V475-K479 PolarHBondContact O-N 3.43Å; E476-K479 PolarHBondContact O-N 3.18Å; E476-K479 VanDerWaalsContact O-N 3.17Å; K479-L486 WeakPolarHBondContact CE-O 3.42Å; K479-L486 PolarHBondContact NZ-O 3.37Å
480	A	94.3	Very high	93.1	Very high	90 Å²	90	58.4 Å²	58.4	74%	0.744	31%	0.306	S	S	*	.	H	α-helix	trans	-70.2	-33.5	173.5	0	0	0	0	0	112.5	E476 I478	E476-A480 WeakPolarHBondContact O-CB 3.29Å; E476-A480 PolarHBondContact O-N 3.21Å; I478-A480 VanDerWaalsContact C-N 3.27Å; I478-A480 PolarHBondContact O-N 3.2Å
481	T	93.8	Very high	92.6	Very high	71 Å²	71	59.1 Å²	59.1	44%	0.436	31%	0.31	S	S	.	.	H	α-helix	trans	-84.3	-40.3	-177.6	-48.9	0	0	0	0	112.7	D477 I478 F520	D477-T481 PolarHBondContact O-N 3.42Å; D477-T481 PolarHBondContact O-OG1 3.05Å; I478-T481 PolarHBondContact O-N 2.9Å; I478-T481 VanDerWaalsContact O-N 3.08Å; T481-F520 HydrophobicContact CG2-CD2 4.38Å; T481-F520 HydrophobicContact CG2-CE2 3.67Å
482	V	94.3	Very high	91.9	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	31%	0.311	C	S	.	.	S	Bend	trans	-114.7	100.1	-176.6	-169.2	0	0	0	0	109.5	I478 V485 L501 F503 Q512 L516 F520	I478-V482 HydrophobicContact CG2-CG2 4.48Å; I478-V482 PolarHBondContact O-N 2.94Å; V482-V485 HydrophobicContact CB-CG2 3.68Å; V482-V485 HydrophobicContact CG1-CG2 3.59Å; V482-V485 WeakPolarHBondContact O-CG2 3.27Å; V482-L501 HydrophobicContact CG1-CD1 4.41Å; V482-L501 HydrophobicContact CG2-CD1 4.43Å; V482-F503 HydrophobicContact CG1-CE1 4.26Å; V482-F503 HydrophobicContact CG1-CZ 4.23Å; V482-Q512 HydrophobicContact CG1-CG 4.43Å; V482-L516 HydrophobicContact CG1-CD1 4.03Å; V482-L516 HydrophobicContact CG1-CD2 4.32Å; V482-L516 HydrophobicContact CG2-CD1 4.33Å; V482-L516 HydrophobicContact CG2-CD2 3.7Å; V482-F520 HydrophobicContact CG2-CE2 3.5Å; V482-F520 VanDerWaalsContact CG2-CE2 3.5Å; V482-F520 HydrophobicContact CG2-CZ 3.63Å
483	P	90.6	Very high	91.5	Very high	81 Å²	81	61.2 Å²	61.2	53%	0.526	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	147.8	179.7	25.6	-32.7	0	0	0	110.9	Q512	P483-Q512 PolarHBondContact O-NE2 2.91Å
484	K	93.7	Very high	91.1	Very high	144 Å²	144	69.5 Å²	69.5	63%	0.626	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	9.2	-177.7	-43.5	-178.5	177.2	-169.4	0	117	L486 T508	K484-L486 PolarHBondContact O-N 3.1Å; K484-T508 HydrophobicContact CD-CG2 4.32Å
485	V	95.5	Very high	91	Very high	13 Å²	13	69 Å²	69	8%	0.079	35%	0.347	C	S	.	.			trans	-71	125	167.2	173.5	0	0	0	0	109.9	V482 L501 F503	V482-V485 HydrophobicContact CB-CG2 3.68Å; V482-V485 HydrophobicContact CG1-CG2 3.59Å; V482-V485 WeakPolarHBondContact O-CG2 3.27Å; V485-L501 HydrophobicContact CG1-CD2 4.23Å; V485-L501 HydrophobicContact CG2-CB 4.43Å; V485-L501 HydrophobicContact CG2-CD1 3.93Å; V485-L501 HydrophobicContact CG2-CD2 4.45Å; V485-F503 HydrophobicContact CB-CE1 4.49Å; V485-F503 HydrophobicContact CG2-CD1 4.39Å; V485-F503 HydrophobicContact CG2-CE1 3.53Å; V485-F503 HydrophobicContact CG2-CZ 3.79Å
486	L	93.9	Very high	91.1	Very high	45 Å²	45	67 Å²	67	24%	0.236	34%	0.336	C	S	.	.			trans	-75.2	-53.3	175.7	-62.4	175.1	0	0	0	110.9	K479 K484 I502 P504 V610	K479-L486 WeakPolarHBondContact CE-O 3.42Å; K479-L486 PolarHBondContact NZ-O 3.37Å; K484-L486 PolarHBondContact O-N 3.1Å; L486-I502 HydrophobicContact CD1-CG2 4.44Å; L486-I502 PolarHBondContact N-O 3.38Å; L486-P504 HydrophobicContact CD1-CB 4.17Å; L486-V610 HydrophobicContact CB-CG2 4.44Å
487	E	94	Very high	91.2	Very high	18 Å²	18	66.1 Å²	66.1	8%	0.084	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	152.9	178.1	-161.8	179.5	164.2	0	0	111.4	I502 P558 A559 R583 V610	E487-I502 PolarHBondContact O-N 2.85Å; E487-P558 WeakPolarHBondContact OE2-CA 3.48Å; E487-P558 WeakPolarHBondContact OE2-CB 3.5Å; E487-A559 PolarHBondContact OE1-N 2.67Å; E487-R583 IonicContact OE1-NH1 3.73Å; E487-R583 PolarHBondContact OE1-NH1 3.36Å; E487-V610 HydrophobicContact CB-CG2 4.06Å
488	L	93.9	Very high	91.3	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.6	165.8	168.6	66.7	0	0	0	109	L469 V475 I478 K490 L501	L469-L488 HydrophobicContact CD1-CD1 4.26Å; V475-L488 HydrophobicContact CG1-CB 4.21Å; V475-L488 HydrophobicContact CG2-CB 4.32Å; V475-L488 HydrophobicContact CG2-CD2 4.42Å; I478-L488 HydrophobicContact CD1-CD1 3.95Å; I478-L488 HydrophobicContact CD1-CD2 3.59Å; I478-L488 HydrophobicContact CD1-CG 4.28Å; I478-L488 HydrophobicContact CG1-CD2 4.14Å; L488-K490 HydrophobicContact CD2-CG 4.42Å; L488-K490 HydrophobicContact CG-CG 4.38Å; L488-L501 HydrophobicContact CD1-CD2 3.88Å
489	F	92.1	Very high	91.3	Very high	15 Å²	15	67.1 Å²	67.1	7%	0.066	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	106.4	177.9	-169.7	-82.7	0	0	0	112.1	P491 G499 F500 I502 R583	F489-P491 HydrophobicContact CD1-CB 4.46Å; F489-P491 HydrophobicContact CE1-CB 3.89Å; F489-G499 CarbonylContact O-C 3.51Å; F489-G499 WeakPolarHBondContact O-CA 3.26Å; F489-F500 HydrophobicContact CB-CB 4.3Å; F489-F500 HydrophobicContact CD1-CD2 4.03Å; F489-F500 PolarHBondContact N-O 2.67Å; F489-F500 PolarHBondContact O-N 2.81Å; F489-I502 HydrophobicContact CB-CD1 4.32Å; F489-R583 HydrophobicContact CE2-CB 3.63Å; F489-R583 HydrophobicContact CZ-CB 4Å
490	K	91.5	Very high	91.4	Very high	29 Å²	29	65 Å²	65	13%	0.126	32%	0.321	C	S	.	.			trans	-94.6	125.8	165	-57.3	-171.3	-168.2	-175.7	0	109.8	V473 L488 Q494 A496 R583	V473-K490 PolarHBondContact O-NZ 3.1Å; L488-K490 HydrophobicContact CD2-CG 4.42Å; L488-K490 HydrophobicContact CG-CG 4.38Å; K490-Q494 VanDerWaalsContact CD-O 3.22Å; K490-Q494 WeakPolarHBondContact CD-O 3.22Å; K490-Q494 PolarHBondContact NZ-O 2.93Å; K490-A496 HydrophobicContact CB-CB 4.33Å; K490-R583 PolarHBondContact O-NH2 3.26Å
491	P	84.9	Confident	91.6	Very high	19 Å²	19	60.7 Å²	60.7	12%	0.123	29%	0.286	C	S	.	.	S	Bend	trans	-85.5	-23.8	-165.8	27.1	-33.2	0	0	0	117.5	F489 Y498 F500	F489-P491 HydrophobicContact CD1-CB 4.46Å; F489-P491 HydrophobicContact CE1-CB 3.89Å; P491-Y498 HydrophobicContact CG-CD2 4.33Å; P491-Y498 HydrophobicContact CG-CE2 3.49Å; P491-Y498 VanDerWaalsContact CG-CE2 3.49Å; P491-F500 HydrophobicContact CG-CE2 4.42Å
492	F	77.9	Confident	91.7	Very high	139 Å²	139	57.3 Å²	57.3	61%	0.61	27%	0.265	S	S	*	.	S	Bend	trans	-121.3	-43.9	-171.5	-71.5	-73.1	0	0	0	114.3	Y498	F492-Y498 WeakPolarHBondContact CD2-OH 3.18Å; F492-Y498 VanDerWaalsContact CE2-OH 3.25Å; F492-Y498 WeakPolarHBondContact CE2-OH 3.08Å
493	R	83.6	Confident	91.7	Very high	183 Å²	183	57.2 Å²	57.2	69%	0.691	26%	0.264	S	S	*	.			trans	-152.2	161.2	-175.6	-63.1	-175.4	177.7	-179.8	-1.7	109.7	D495 A496	R493-D495 VanDerWaalsContact C-N 3.25Å; R493-D495 WeakPolarHBondContact CB-OD1 3.39Å; R493-D495 WeakPolarHBondContact CD-OD1 3.41Å; R493-D495 PolarHBondContact O-N 2.92Å; R493-A496 WeakPolarHBondContact O-CB 3.5Å; R493-A496 PolarHBondContact O-N 3Å
494	Q	84.5	Confident	91.9	Very high	177 Å²	177	56 Å²	56	83%	0.827	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.3	178.4	-63.8	-179.1	-0.1	0	0	112.8	K490 A496	K490-Q494 VanDerWaalsContact CD-O 3.22Å; K490-Q494 WeakPolarHBondContact CD-O 3.22Å; K490-Q494 PolarHBondContact NZ-O 2.93Å; Q494-A496 VanDerWaalsContact C-N 3.34Å
495	D	88.9	Confident	92	Very high	59 Å²	59	53.7 Å²	53.7	32%	0.316	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	6.8	178.4	74.3	-44.3	0	0	0	114.1	R471 R493 K497	R471-D495 HydrophobicContact CG-CB 4.26Å; R493-D495 VanDerWaalsContact C-N 3.25Å; R493-D495 WeakPolarHBondContact CB-OD1 3.39Å; R493-D495 WeakPolarHBondContact CD-OD1 3.41Å; R493-D495 PolarHBondContact O-N 2.92Å; D495-K497 PolarHBondContact O-N 3.35Å
496	A	92.3	Very high	92	Very high	13 Å²	13	56.8 Å²	56.8	11%	0.107	26%	0.264	C	S	.	.			trans	-56.7	128.3	-180	0	0	0	0	0	111.6	K490 R493 Q494 Y498	K490-A496 HydrophobicContact CB-CB 4.33Å; R493-A496 WeakPolarHBondContact O-CB 3.5Å; R493-A496 PolarHBondContact O-N 3Å; Q494-A496 VanDerWaalsContact C-N 3.34Å; A496-Y498 PolarHBondContact O-N 3.45Å
497	K	94.6	Very high	92.2	Very high	138 Å²	138	60.5 Å²	60.5	60%	0.6	28%	0.28	S	S	*	.	S	Bend	trans	-65.4	-3.9	177	-61.6	-179.6	-177.8	175.5	0	113.8	H468 L469 D495	H468-K497 CarbonylContact C-O 3.54Å; H468-K497 WeakPolarHBondContact CA-O 3.33Å; H468-K497 PolarHBondContact N-O 3.47Å; L469-K497 PolarHBondContact N-O 3.19Å; D495-K497 PolarHBondContact O-N 3.35Å
498	Y	95.1	Very high	92.3	Very high	71 Å²	71	60.3 Å²	60.3	28%	0.278	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	160.4	-178.6	69.6	-90.8	0	0	0	111.1	F465 I466 P491 F492 A496	F465-Y498 AromaticContact CE2-CD2 3.62Å; F465-Y498 HydrophobicContact CE2-CD2 3.62Å; F465-Y498 HydrophobicContact CE2-CE2 4.39Å; F465-Y498 HydrophobicContact CE2-CG 4.08Å; F465-Y498 HydrophobicContact CZ-CD2 4.3Å; F465-Y498 HydrophobicContact CZ-CG 4.33Å; I466-Y498 CarbonylContact O-C 3.5Å; I466-Y498 WeakPolarHBondContact O-CA 3.46Å; I466-Y498 WeakPolarHBondContact O-CB 3.16Å; P491-Y498 HydrophobicContact CG-CD2 4.33Å; P491-Y498 HydrophobicContact CG-CE2 3.49Å; P491-Y498 VanDerWaalsContact CG-CE2 3.49Å; F492-Y498 WeakPolarHBondContact CD2-OH 3.18Å; F492-Y498 VanDerWaalsContact CE2-OH 3.25Å; F492-Y498 WeakPolarHBondContact CE2-OH 3.08Å; A496-Y498 PolarHBondContact O-N 3.45Å
499	G	95.3	Very high	92.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	-176.8	177.2	0	0	0	0	0	111.5	I466 F489	I466-G499 PolarHBondContact N-O 2.75Å; I466-G499 PolarHBondContact O-N 2.96Å; F489-G499 CarbonylContact O-C 3.51Å; F489-G499 WeakPolarHBondContact O-CA 3.26Å
500	F	95.9	Very high	92.7	Very high	54 Å²	54	63.7 Å²	63.7	24%	0.237	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.6	178.6	-54.4	-95.7	0	0	0	109.5	L464 F465 F489 P491	L464-F500 CarbonylContact O-C 3.28Å; L464-F500 VanDerWaalsContact O-CA 3.26Å; L464-F500 WeakPolarHBondContact O-CA 3.4Å; F465-F500 HydrophobicContact CB-CD1 4.32Å; F465-F500 HydrophobicContact CB-CE1 4.33Å; F465-F500 HydrophobicContact CD2-CD1 4.09Å; F465-F500 AromaticContact CD2-CE1 3.63Å; F465-F500 HydrophobicContact CD2-CE1 3.63Å; F465-F500 AromaticContact CD2-CZ 3.96Å; F465-F500 HydrophobicContact CD2-CZ 3.96Å; F465-F500 HydrophobicContact CE2-CE1 4.49Å; F465-F500 HydrophobicContact CE2-CZ 4.4Å; F465-F500 HydrophobicContact CG-CE1 4.45Å; F489-F500 HydrophobicContact CB-CB 4.3Å; F489-F500 HydrophobicContact CD1-CD2 4.03Å; F489-F500 PolarHBondContact N-O 2.67Å; F489-F500 PolarHBondContact O-N 2.81Å; P491-F500 HydrophobicContact CG-CE2 4.42Å
501	L	96.7	Very high	92.9	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132.3	167.4	-58.4	-171	0	0	0	109.2	R463 L464 I466 I478 V482 V485 L488 F503 L516	R463-L501 VanDerWaalsContact CA-O 3.26Å; R463-L501 WeakPolarHBondContact CA-O 3.46Å; L464-L501 PolarHBondContact N-O 3.08Å; L464-L501 PolarHBondContact O-N 2.98Å; I466-L501 HydrophobicContact CD1-CD1 3.46Å; I466-L501 VanDerWaalsContact CD1-CD1 3.46Å; I466-L501 HydrophobicContact CD1-CD2 3.94Å; I466-L501 HydrophobicContact CD1-CG 3.46Å; I466-L501 VanDerWaalsContact CD1-CG 3.46Å; I466-L501 HydrophobicContact CG1-CD1 4.45Å; I466-L501 HydrophobicContact CG1-CG 4.07Å; I478-L501 HydrophobicContact CG2-CD2 3.61Å; V482-L501 HydrophobicContact CG1-CD1 4.41Å; V482-L501 HydrophobicContact CG2-CD1 4.43Å; V485-L501 HydrophobicContact CG1-CD2 4.23Å; V485-L501 HydrophobicContact CG2-CB 4.43Å; V485-L501 HydrophobicContact CG2-CD1 3.93Å; V485-L501 HydrophobicContact CG2-CD2 4.45Å; L488-L501 HydrophobicContact CD1-CD2 3.88Å; L501-F503 HydrophobicContact CB-CD2 4.36Å; L501-F503 HydrophobicContact CB-CE2 3.62Å; L501-F503 HydrophobicContact CB-CZ 3.96Å; L501-F503 HydrophobicContact CD1-CE2 4.2Å; L501-F503 HydrophobicContact CD1-CZ 3.85Å; L501-L516 HydrophobicContact CD1-CD1 4.31Å
502	I	95.9	Very high	93.5	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.7	174.3	-53.2	-179.8	0	0	0	108.9	R463 L486 E487 F489 D556 V610 P611	R463-I502 HydrophobicContact CG-CG1 4.37Å; L486-I502 HydrophobicContact CD1-CG2 4.44Å; L486-I502 PolarHBondContact N-O 3.38Å; E487-I502 PolarHBondContact O-N 2.85Å; F489-I502 HydrophobicContact CB-CD1 4.32Å; I502-D556 HydrophobicContact CD1-CB 4.47Å; I502-V610 HydrophobicContact CD1-CG1 4.08Å; I502-V610 HydrophobicContact CG2-CG1 4.4Å; I502-P611 HydrophobicContact CG2-CG 4.3Å
503	F	96.1	Very high	94.4	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.292	C	S	.	.			trans	-113.3	158	176.1	-65.3	-77.3	0	0	0	110.5	C462 L464 V482 V485 L501 T509 Q512	C462-F503 PolarHBondContact O-N 3.1Å; L464-F503 HydrophobicContact CB-CE2 4.31Å; L464-F503 HydrophobicContact CD1-CE2 3.81Å; L464-F503 HydrophobicContact CD1-CZ 4.32Å; L464-F503 HydrophobicContact CG-CE2 3.89Å; V482-F503 HydrophobicContact CG1-CE1 4.26Å; V482-F503 HydrophobicContact CG1-CZ 4.23Å; V485-F503 HydrophobicContact CB-CE1 4.49Å; V485-F503 HydrophobicContact CG2-CD1 4.39Å; V485-F503 HydrophobicContact CG2-CE1 3.53Å; V485-F503 HydrophobicContact CG2-CZ 3.79Å; L501-F503 HydrophobicContact CB-CD2 4.36Å; L501-F503 HydrophobicContact CB-CE2 3.62Å; L501-F503 HydrophobicContact CB-CZ 3.96Å; L501-F503 HydrophobicContact CD1-CE2 4.2Å; L501-F503 HydrophobicContact CD1-CZ 3.85Å; F503-T509 HydrophobicContact CD2-CG2 3.99Å; F503-T509 HydrophobicContact CE2-CG2 4.45Å; F503-Q512 HydrophobicContact CD1-CG 4.47Å; F503-Q512 HydrophobicContact CE1-CB 4.09Å; F503-Q512 HydrophobicContact CE1-CG 3.77Å; F503-Q512 HydrophobicContact CZ-CB 3.95Å; F503-Q512 HydrophobicContact CZ-CG 4.16Å
504	P	94.5	Very high	95	Very high	55 Å²	55	57.4 Å²	57.4	36%	0.357	29%	0.285	S	S	.	.	S	Bend	trans	-69.8	-46	177.1	26.7	-32.8	0	0	0	112.2	L486	L486-P504 HydrophobicContact CD1-CB 4.17Å
505	D	95.1	Very high	95.5	Very high	95 Å²	95	55.8 Å²	55.8	51%	0.508	28%	0.275	S	S	.	.	S	Bend	trans	-127.5	145.1	-170.8	-49.6	-62.9	0	0	0	112	E507 T508 T509	D505-E507 VanDerWaalsContact C-N 3.27Å; D505-E507 PolarHBondContact O-N 2.91Å; D505-T508 HydrophobicContact CB-CG2 4.23Å; D505-T508 PolarHBondContact N-OG1 3.38Å; D505-T508 WeakPolarHBondContact O-CA 3.46Å; D505-T508 WeakPolarHBondContact O-CB 3.29Å; D505-T508 PolarHBondContact O-N 3.17Å; D505-T508 PolarHBondContact O-OG1 3.44Å; D505-T509 PolarHBondContact O-N 3.09Å; D505-T509 PolarHBondContact O-OG1 3.23Å
506	E	95.8	Very high	95.8	Very high	78 Å²	78	53.6 Å²	53.6	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-54.4	-40.7	175	175.2	167.8	-159.8	0	0	112.6	A461 T508 T509 M510 K535	A461-E506 HydrophobicContact CB-CB 4.23Å; A461-E506 HydrophobicContact CB-CG 4Å; E506-T508 PolarHBondContact O-N 2.96Å; E506-T509 VanDerWaalsContact O-CB 3.27Å; E506-T509 WeakPolarHBondContact O-CB 3.5Å; E506-T509 PolarHBondContact O-N 2.99Å; E506-T509 VanDerWaalsContact O-N 3.13Å; E506-M510 HydrophobicContact CG-CG 4.5Å; E506-M510 HydrophobicContact CG-SD 4.06Å; E506-M510 PolarHBondContact O-N 2.95Å; E506-K535 IonicContact OE1-NZ 2.73Å; E506-K535 PolarHBondContact OE1-NZ 3.38Å
507	E	97.1	Very high	95.9	Very high	123 Å²	123	59.3 Å²	59.3	58%	0.575	29%	0.286	S	S	*	.	H	α-helix	trans	-57	-39.1	174.1	-73.9	-168	-147	0	0	112.5	D505 K511	D505-E507 VanDerWaalsContact C-N 3.27Å; D505-E507 PolarHBondContact O-N 2.91Å; E507-K511 VanDerWaalsContact O-CB 3.27Å; E507-K511 WeakPolarHBondContact O-CB 3.22Å; E507-K511 VanDerWaalsContact O-CD 3.29Å; E507-K511 WeakPolarHBondContact O-CD 3.36Å; E507-K511 WeakPolarHBondContact O-CG 3.47Å; E507-K511 PolarHBondContact O-N 3.44Å; E507-K511 IonicContact OE2-NZ 3.63Å; E507-K511 PolarHBondContact OE2-NZ 2.93Å
508	T	96.8	Very high	95.8	Very high	15 Å²	15	58.3 Å²	58.3	9%	0.092	29%	0.287	C	S	.	.	H	α-helix	trans	-72	-37.5	178.7	63.9	0	0	0	0	111	K484 D505 E506 K511 Q512	K484-T508 HydrophobicContact CD-CG2 4.32Å; D505-T508 HydrophobicContact CB-CG2 4.23Å; D505-T508 PolarHBondContact N-OG1 3.38Å; D505-T508 WeakPolarHBondContact O-CA 3.46Å; D505-T508 WeakPolarHBondContact O-CB 3.29Å; D505-T508 PolarHBondContact O-N 3.17Å; D505-T508 PolarHBondContact O-OG1 3.44Å; E506-T508 PolarHBondContact O-N 2.96Å; T508-K511 PolarHBondContact O-N 3.35Å; T508-Q512 WeakPolarHBondContact O-CB 3.34Å; T508-Q512 VanDerWaalsContact O-CG 3.25Å; T508-Q512 WeakPolarHBondContact O-CG 3.49Å; T508-Q512 PolarHBondContact O-N 2.94Å
509	T	97.2	Very high	95.4	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-55.4	-53.8	170.6	-43.7	0	0	0	0	111.1	A461 C462 L464 F503 D505 E506 K511 Q512 Y513	A461-T509 VanDerWaalsContact O-CB 3.29Å; A461-T509 WeakPolarHBondContact O-CB 3.35Å; A461-T509 WeakPolarHBondContact O-CG2 3.32Å; A461-T509 PolarHBondContact O-OG1 3.35Å; C462-T509 WeakPolarHBondContact CA-OG1 3.36Å; L464-T509 HydrophobicContact CD1-CG2 4.39Å; L464-T509 HydrophobicContact CD2-CG2 3.6Å; L464-T509 HydrophobicContact CG-CG2 3.66Å; F503-T509 HydrophobicContact CD2-CG2 3.99Å; F503-T509 HydrophobicContact CE2-CG2 4.45Å; D505-T509 PolarHBondContact O-N 3.09Å; D505-T509 PolarHBondContact O-OG1 3.23Å; E506-T509 VanDerWaalsContact O-CB 3.27Å; E506-T509 WeakPolarHBondContact O-CB 3.5Å; E506-T509 PolarHBondContact O-N 2.99Å; E506-T509 VanDerWaalsContact O-N 3.13Å; T509-K511 PolarHBondContact O-N 3.07Å; T509-Q512 PolarHBondContact O-N 2.86Å; T509-Y513 WeakPolarHBondContact O-CB 3.41Å; T509-Y513 PolarHBondContact O-N 3.48Å
510	M	96.9	Very high	95.4	Very high	90 Å²	90	61.6 Å²	61.6	44%	0.443	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-47	-179.6	-71.6	168.6	51	0	0	112.2	E506 Q512 Y513 A514	E506-M510 HydrophobicContact CG-CG 4.5Å; E506-M510 HydrophobicContact CG-SD 4.06Å; E506-M510 PolarHBondContact O-N 2.95Å; M510-Q512 PolarHBondContact O-N 2.91Å; M510-Y513 PolarHBondContact O-N 2.88Å; M510-A514 PolarHBondContact O-N 3Å
511	K	96.6	Very high	95.3	Very high	120 Å²	120	64.1 Å²	64.1	52%	0.522	32%	0.32	S	S	.	.	H	α-helix	trans	-65.8	-22	179.5	-71.9	164.4	-174.4	167.4	0	113.2	E507 T508 T509 K515	E507-K511 VanDerWaalsContact O-CB 3.27Å; E507-K511 WeakPolarHBondContact O-CB 3.22Å; E507-K511 VanDerWaalsContact O-CD 3.29Å; E507-K511 WeakPolarHBondContact O-CD 3.36Å; E507-K511 WeakPolarHBondContact O-CG 3.47Å; E507-K511 PolarHBondContact O-N 3.44Å; E507-K511 IonicContact OE2-NZ 3.63Å; E507-K511 PolarHBondContact OE2-NZ 2.93Å; T508-K511 PolarHBondContact O-N 3.35Å; T509-K511 PolarHBondContact O-N 3.07Å; K511-K515 WeakPolarHBondContact O-CD 2.95Å; K511-K515 WeakPolarHBondContact O-CE 3.38Å
512	Q	96.4	Very high	95.2	Very high	12 Å²	12	64.4 Å²	64.4	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-90.3	-40.4	172.3	-64.9	-64.9	16.7	0	0	112	V482 P483 F503 T508 T509 M510 A514 K515 L516	V482-Q512 HydrophobicContact CG1-CG 4.43Å; P483-Q512 PolarHBondContact O-NE2 2.91Å; F503-Q512 HydrophobicContact CD1-CG 4.47Å; F503-Q512 HydrophobicContact CE1-CB 4.09Å; F503-Q512 HydrophobicContact CE1-CG 3.77Å; F503-Q512 HydrophobicContact CZ-CB 3.95Å; F503-Q512 HydrophobicContact CZ-CG 4.16Å; T508-Q512 WeakPolarHBondContact O-CB 3.34Å; T508-Q512 VanDerWaalsContact O-CG 3.25Å; T508-Q512 WeakPolarHBondContact O-CG 3.49Å; T508-Q512 PolarHBondContact O-N 2.94Å; T509-Q512 PolarHBondContact O-N 2.86Å; M510-Q512 PolarHBondContact O-N 2.91Å; Q512-A514 VanDerWaalsContact C-N 3.3Å; Q512-A514 PolarHBondContact O-N 2.84Å; Q512-K515 WeakPolarHBondContact O-CA 3.43Å; Q512-K515 WeakPolarHBondContact O-CB 3.4Å; Q512-K515 PolarHBondContact O-N 2.84Å; Q512-L516 HydrophobicContact CB-CD1 4.22Å; Q512-L516 VanDerWaalsContact O-CG 3.24Å; Q512-L516 WeakPolarHBondContact O-CG 3.43Å; Q512-L516 PolarHBondContact O-N 2.91Å
513	Y	97.1	Very high	95	Very high	39 Å²	39	69 Å²	69	15%	0.153	34%	0.341	C	S	.	.	H	α-helix	trans	-50.8	-50.2	175.6	179.5	-106	0	0	0	112	L464 T509 M510 K515 L516 K517 V529 Y531	L464-Y513 HydrophobicContact CD1-CD2 4.31Å; L464-Y513 HydrophobicContact CD2-CD2 3.79Å; L464-Y513 HydrophobicContact CD2-CG 4.24Å; T509-Y513 WeakPolarHBondContact O-CB 3.41Å; T509-Y513 PolarHBondContact O-N 3.48Å; M510-Y513 PolarHBondContact O-N 2.88Å; Y513-K515 PolarHBondContact O-N 2.64Å; Y513-K515 VanDerWaalsContact O-N 3.08Å; Y513-L516 PolarHBondContact O-N 3.44Å; Y513-L516 VanDerWaalsContact O-N 3.08Å; Y513-K517 HydrophobicContact CE1-CD 4.26Å; Y513-K517 WeakPolarHBondContact O-CB 3.34Å; Y513-K517 PolarHBondContact O-N 2.93Å; Y513-V529 HydrophobicContact CD2-CG1 4.2Å; Y513-Y531 HydrophobicContact CD1-CD2 4.32Å; Y513-Y531 HydrophobicContact CD1-CE1 4.34Å; Y513-Y531 AromaticContact CD1-CE2 3.41Å; Y513-Y531 HydrophobicContact CD1-CE2 3.41Å; Y513-Y531 VanDerWaalsContact CD1-CE2 3.41Å; Y513-Y531 AromaticContact CD1-CZ 3.41Å; Y513-Y531 VanDerWaalsContact CD1-CZ 3.41Å; Y513-Y531 VanDerWaalsContact CD1-OH 3.26Å; Y513-Y531 WeakPolarHBondContact CD1-OH 3.25Å; Y513-Y531 HydrophobicContact CD2-CD2 4.44Å; Y513-Y531 HydrophobicContact CD2-CE1 4.49Å; Y513-Y531 HydrophobicContact CD2-CE2 4.22Å; Y513-Y531 HydrophobicContact CE1-CD2 4.03Å; Y513-Y531 AromaticContact CE1-CE2 3.34Å; Y513-Y531 HydrophobicContact CE1-CE2 3.34Å; Y513-Y531 AromaticContact CE1-CZ 3.9Å; Y513-Y531 HydrophobicContact CE2-CD2 4.18Å; Y513-Y531 HydrophobicContact CE2-CE2 4.19Å; Y513-Y531 HydrophobicContact CG-CD2 4.49Å; Y513-Y531 HydrophobicContact CG-CE1 4.06Å; Y513-Y531 AromaticContact CG-CE2 3.84Å; Y513-Y531 HydrophobicContact CG-CE2 3.84Å; Y513-Y531 AromaticContact CG-CZ 3.59Å; Y513-Y531 AromaticContact CZ-CD2 3.95Å; Y513-Y531 AromaticContact CZ-CE2 3.76Å
514	A	96.3	Very high	94.9	Very high	66 Å²	66	76.8 Å²	76.8	55%	0.545	38%	0.383	S	S	.	.	H	α-helix	trans	-60.3	-19.6	178.1	0	0	0	0	0	114.5	M510 Q512	M510-A514 PolarHBondContact O-N 3Å; Q512-A514 VanDerWaalsContact C-N 3.3Å; Q512-A514 PolarHBondContact O-N 2.84Å
515	K	95.3	Very high	94.9	Very high	143 Å²	143	79.6 Å²	79.6	62%	0.622	39%	0.389	S	S	*	.	H	α-helix	trans	-94.4	-29.1	175.9	-63.2	174.9	-174.5	175.4	0	113	K511 Q512 Y513	K511-K515 WeakPolarHBondContact O-CD 2.95Å; K511-K515 WeakPolarHBondContact O-CE 3.38Å; Q512-K515 WeakPolarHBondContact O-CA 3.43Å; Q512-K515 WeakPolarHBondContact O-CB 3.4Å; Q512-K515 PolarHBondContact O-N 2.84Å; Y513-K515 PolarHBondContact O-N 2.64Å; Y513-K515 VanDerWaalsContact O-N 3.08Å
516	L	95.5	Very high	94.9	Very high	13 Å²	13	81.3 Å²	81.3	7%	0.068	39%	0.394	C	S	.	.	H	α-helix	trans	-87.9	-29.6	-175.1	-61.3	170.9	0	0	0	111.9	L464 V482 L501 Q512 Y513 D518 F520 V529	L464-L516 HydrophobicContact CD1-CD1 4.1Å; V482-L516 HydrophobicContact CG1-CD1 4.03Å; V482-L516 HydrophobicContact CG1-CD2 4.32Å; V482-L516 HydrophobicContact CG2-CD1 4.33Å; V482-L516 HydrophobicContact CG2-CD2 3.7Å; L501-L516 HydrophobicContact CD1-CD1 4.31Å; Q512-L516 HydrophobicContact CB-CD1 4.22Å; Q512-L516 VanDerWaalsContact O-CG 3.24Å; Q512-L516 WeakPolarHBondContact O-CG 3.43Å; Q512-L516 PolarHBondContact O-N 2.91Å; Y513-L516 PolarHBondContact O-N 3.44Å; Y513-L516 VanDerWaalsContact O-N 3.08Å; L516-D518 VanDerWaalsContact C-N 3.31Å; L516-D518 PolarHBondContact O-N 3.47Å; L516-F520 HydrophobicContact CB-CB 4.2Å; L516-F520 HydrophobicContact CB-CG 4.39Å; L516-F520 HydrophobicContact CD2-CB 4.26Å; L516-F520 HydrophobicContact CD2-CD1 4.43Å; L516-F520 HydrophobicContact CD2-CD2 3.34Å; L516-F520 HydrophobicContact CD2-CE2 3.59Å; L516-F520 HydrophobicContact CD2-CG 3.79Å; L516-F520 HydrophobicContact CD2-CZ 4.24Å; L516-F520 WeakPolarHBondContact O-CB 3.37Å; L516-F520 PolarHBondContact O-N 2.9Å; L516-V529 HydrophobicContact CB-CB 4.38Å; L516-V529 HydrophobicContact CB-CG1 4.37Å; L516-V529 HydrophobicContact CB-CG2 4.07Å
517	K	94.8	Very high	94.9	Very high	133 Å²	133	78.1 Å²	78.1	58%	0.578	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-44.5	-176	-167.9	-172.4	179.4	-165.6	0	113.4	Y513	Y513-K517 HydrophobicContact CE1-CD 4.26Å; Y513-K517 WeakPolarHBondContact O-CB 3.34Å; Y513-K517 PolarHBondContact O-N 2.93Å
518	D	91.3	Very high	94.9	Very high	117 Å²	117	76.2 Å²	76.2	63%	0.626	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-27.7	-165.3	-54.3	-21.1	0	0	0	114.4	L516	L516-D518 VanDerWaalsContact C-N 3.31Å; L516-D518 PolarHBondContact O-N 3.47Å
519	N	88	Confident	94.9	Very high	127 Å²	127	76 Å²	76	68%	0.679	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.7	20.3	-165.7	-78.5	-78.6	0	0	0	114.6	K521	N519-K521 PolarHBondContact O-N 2.78Å; N519-K521 VanDerWaalsContact O-N 3.15Å
520	F	94.3	Very high	94.9	Very high	14 Å²	14	77.2 Å²	77.2	6%	0.061	38%	0.382	C	S	.	.			trans	-76.7	107.8	-178.7	-168	-128.6	0	0	0	112.3	I466 T481 V482 L516 I522 V527 V529	I466-F520 HydrophobicContact CD1-CE1 3.84Å; T481-F520 HydrophobicContact CG2-CD2 4.38Å; T481-F520 HydrophobicContact CG2-CE2 3.67Å; V482-F520 HydrophobicContact CG2-CE2 3.5Å; V482-F520 VanDerWaalsContact CG2-CE2 3.5Å; V482-F520 HydrophobicContact CG2-CZ 3.63Å; L516-F520 HydrophobicContact CB-CB 4.2Å; L516-F520 HydrophobicContact CB-CG 4.39Å; L516-F520 HydrophobicContact CD2-CB 4.26Å; L516-F520 HydrophobicContact CD2-CD1 4.43Å; L516-F520 HydrophobicContact CD2-CD2 3.34Å; L516-F520 HydrophobicContact CD2-CE2 3.59Å; L516-F520 HydrophobicContact CD2-CG 3.79Å; L516-F520 HydrophobicContact CD2-CZ 4.24Å; L516-F520 WeakPolarHBondContact O-CB 3.37Å; L516-F520 PolarHBondContact O-N 2.9Å; F520-I522 HydrophobicContact CE1-CD1 3.63Å; F520-I522 HydrophobicContact CE1-CG1 3.94Å; F520-I522 HydrophobicContact CE2-CD1 4.42Å; F520-I522 HydrophobicContact CE2-CG1 4.16Å; F520-I522 HydrophobicContact CZ-CD1 3.54Å; F520-I522 HydrophobicContact CZ-CG1 3.74Å; F520-V527 HydrophobicContact CD1-CB 3.76Å; F520-V527 HydrophobicContact CD1-CG1 3.55Å; F520-V527 HydrophobicContact CE1-CB 4.24Å; F520-V527 HydrophobicContact CE1-CG1 3.72Å; F520-V527 PolarHBondContact O-N 2.91Å; F520-V527 VanDerWaalsContact O-N 3.11Å; F520-V529 HydrophobicContact CB-CG2 4.5Å; F520-V529 HydrophobicContact CD1-CG2 3.7Å; F520-V529 HydrophobicContact CE1-CG2 4.33Å; F520-V529 HydrophobicContact CG-CG2 4.45Å
521	K	94.4	Very high	95	Very high	107 Å²	107	74.9 Å²	74.9	47%	0.465	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.5	175	-51.6	-164	-172.7	-159	0	110.2	N519 K525 E526	N519-K521 PolarHBondContact O-N 2.78Å; N519-K521 VanDerWaalsContact O-N 3.15Å; K521-K525 CarbonylContact C-O 3.58Å; K521-K525 WeakPolarHBondContact CA-O 3.11Å; K521-E526 HydrophobicContact CD-CG 3.81Å; K521-E526 WeakPolarHBondContact CE-OE1 3.36Å; K521-E526 HydrophobicContact CG-CG 3.97Å; K521-E526 IonicContact NZ-OE1 3.76Å; K521-E526 PolarHBondContact NZ-OE1 3.1Å
522	I	93.5	Very high	94.9	Very high	6 Å²	6	69.7 Å²	69.7	3%	0.031	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.1	175	-52.4	177.6	0	0	0	108.4	L469 V473 I478 F520 D524 K525 V527	L469-I522 HydrophobicContact CD2-CD1 3.82Å; V473-I522 HydrophobicContact CG1-CG2 4.23Å; V473-I522 HydrophobicContact CG2-CG2 3.53Å; I478-I522 HydrophobicContact CD1-CD1 3.97Å; I478-I522 HydrophobicContact CG1-CD1 4.18Å; F520-I522 HydrophobicContact CE1-CD1 3.63Å; F520-I522 HydrophobicContact CE1-CG1 3.94Å; F520-I522 HydrophobicContact CE2-CD1 4.42Å; F520-I522 HydrophobicContact CE2-CG1 4.16Å; F520-I522 HydrophobicContact CZ-CD1 3.54Å; F520-I522 HydrophobicContact CZ-CG1 3.74Å; I522-D524 VanDerWaalsContact C-N 3.27Å; I522-D524 PolarHBondContact O-N 3.37Å; I522-K525 PolarHBondContact N-O 3.27Å; I522-K525 PolarHBondContact O-N 3.18Å; I522-V527 HydrophobicContact CB-CG2 4.25Å; I522-V527 HydrophobicContact CD1-CG2 4.26Å; I522-V527 HydrophobicContact CG1-CG2 4.1Å
523	K	92.2	Very high	94.8	Very high	95 Å²	95	69.8 Å²	69.8	41%	0.413	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	50.6	-179.4	-60.7	-178.8	-171.5	-171.1	0	111.4	P470 D472 V473 D477 K525	P470-K523 HydrophobicContact CG-CB 4.49Å; D472-K523 PolarHBondContact O-NZ 2.86Å; V473-K523 HydrophobicContact CG2-CD 4.18Å; D477-K523 VanDerWaalsContact CG-CE 3.49Å; D477-K523 IonicContact OD1-NZ 2.6Å; D477-K523 PolarHBondContact OD1-NZ 2.73Å; D477-K523 VanDerWaalsContact OD2-CE 3.27Å; D477-K523 WeakPolarHBondContact OD2-CE 3.39Å; D477-K523 IonicContact OD2-NZ 2.64Å; D477-K523 PolarHBondContact OD2-NZ 2.95Å; K523-K525 PolarHBondContact O-N 2.97Å; K523-K525 VanDerWaalsContact O-N 3.07Å
524	D	93.6	Very high	94.7	Very high	164 Å²	164	74 Å²	74	88%	0.877	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	10	-178.8	-52.1	-45.3	0	0	0	116.5	I522	I522-D524 VanDerWaalsContact C-N 3.27Å; I522-D524 PolarHBondContact O-N 3.37Å
525	K	94.9	Very high	94.6	Very high	114 Å²	114	76.1 Å²	76.1	50%	0.496	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.4	172.6	-57.6	-170.6	-173.2	174.8	0	110.7	P470 K521 I522 K523	P470-K525 HydrophobicContact CB-CD 4.1Å; P470-K525 HydrophobicContact CG-CB 4.22Å; P470-K525 HydrophobicContact CG-CD 4.05Å; P470-K525 HydrophobicContact CG-CG 4.38Å; K521-K525 CarbonylContact C-O 3.58Å; K521-K525 WeakPolarHBondContact CA-O 3.11Å; I522-K525 PolarHBondContact N-O 3.27Å; I522-K525 PolarHBondContact O-N 3.18Å; K523-K525 PolarHBondContact O-N 2.97Å; K523-K525 VanDerWaalsContact O-N 3.07Å
526	E	95.3	Very high	94.7	Very high	132 Å²	132	70.2 Å²	70.2	62%	0.617	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	137.7	172.5	-74.5	165.2	-168.3	0	0	110.2	K521	K521-E526 HydrophobicContact CD-CG 3.81Å; K521-E526 WeakPolarHBondContact CE-OE1 3.36Å; K521-E526 HydrophobicContact CG-CG 3.97Å; K521-E526 IonicContact NZ-OE1 3.76Å; K521-E526 PolarHBondContact NZ-OE1 3.1Å
527	V	96.4	Very high	94.6	Very high	11 Å²	11	74.1 Å²	74.1	7%	0.067	38%	0.38	C	S	.	.			trans	-130.2	120.7	-168.9	172	0	0	0	0	108.1	I466 N467 L469 F520 I522	I466-V527 HydrophobicContact CG2-CG1 3.13Å; N467-V527 WeakPolarHBondContact O-CG1 3.45Å; L469-V527 HydrophobicContact CD2-CG1 4.22Å; F520-V527 HydrophobicContact CD1-CB 3.76Å; F520-V527 HydrophobicContact CD1-CG1 3.55Å; F520-V527 HydrophobicContact CE1-CB 4.24Å; F520-V527 HydrophobicContact CE1-CG1 3.72Å; F520-V527 PolarHBondContact O-N 2.91Å; F520-V527 VanDerWaalsContact O-N 3.11Å; I522-V527 HydrophobicContact CB-CG2 4.25Å; I522-V527 HydrophobicContact CD1-CG2 4.26Å; I522-V527 HydrophobicContact CG1-CG2 4.1Å
528	V	96.4	Very high	94.5	Very high	83 Å²	83	75.5 Å²	75.5	50%	0.503	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.9	-177	179.7	0	0	0	0	109.3	I466 N467	I466-V528 WeakPolarHBondContact CA-O 3.18Å; N467-V528 HydrophobicContact CB-CB 4.4Å; N467-V528 PolarHBondContact N-O 3.46Å; N467-V528 PolarHBondContact O-N 2.87Å; N467-V528 VanDerWaalsContact O-N 3.1Å
529	V	97.4	Very high	94.5	Very high	11 Å²	11	71.8 Å²	71.8	7%	0.067	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.6	179.1	-174.3	0	0	0	0	109.5	L464 F465 I466 Y513 L516 F520	L464-V529 HydrophobicContact CB-CG1 3.93Å; L464-V529 HydrophobicContact CD1-CG1 3.88Å; L464-V529 HydrophobicContact CG-CG1 4.36Å; F465-V529 WeakPolarHBondContact O-CA 3.44Å; I466-V529 HydrophobicContact CD1-CG2 3.97Å; I466-V529 HydrophobicContact CG1-CG1 4.27Å; I466-V529 HydrophobicContact CG1-CG2 4.08Å; Y513-V529 HydrophobicContact CD2-CG1 4.2Å; L516-V529 HydrophobicContact CB-CB 4.38Å; L516-V529 HydrophobicContact CB-CG1 4.37Å; L516-V529 HydrophobicContact CB-CG2 4.07Å; F520-V529 HydrophobicContact CB-CG2 4.5Å; F520-V529 HydrophobicContact CD1-CG2 3.7Å; F520-V529 HydrophobicContact CE1-CG2 4.33Å; F520-V529 HydrophobicContact CG-CG2 4.45Å
530	D	97.5	Very high	94.5	Very high	24 Å²	24	68.5 Å²	68.5	13%	0.128	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	162.8	178.9	-174.8	23	0	0	0	109.8	L464 F465 S536 A537	L464-D530 CarbonylContact C-O 3.55Å; L464-D530 WeakPolarHBondContact CA-O 3.2Å; F465-D530 HydrophobicContact CB-CB 4.49Å; F465-D530 HydrophobicContact CD1-CB 4.25Å; F465-D530 PolarHBondContact N-O 3.16Å; F465-D530 PolarHBondContact O-N 3.38Å; D530-S536 WeakPolarHBondContact OD2-CB 3.3Å; D530-S536 PolarHBondContact OD2-OG 2.97Å; D530-A537 PolarHBondContact OD1-N 3.41Å; D530-A537 PolarHBondContact OD2-N 3.37Å; D530-A537 VanDerWaalsContact OD2-N 3.17Å
531	Y	97.5	Very high	94.2	Very high	42 Å²	42	77 Å²	77	17%	0.165	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	169	168.1	-76.6	-68.5	0	0	0	111.7	L464 Y513 K535 S536	L464-Y531 HydrophobicContact CD2-CD1 3.6Å; L464-Y531 HydrophobicContact CD2-CE1 3.88Å; L464-Y531 HydrophobicContact CD2-CG 4.34Å; Y513-Y531 HydrophobicContact CD1-CD2 4.32Å; Y513-Y531 HydrophobicContact CD1-CE1 4.34Å; Y513-Y531 AromaticContact CD1-CE2 3.41Å; Y513-Y531 HydrophobicContact CD1-CE2 3.41Å; Y513-Y531 VanDerWaalsContact CD1-CE2 3.41Å; Y513-Y531 AromaticContact CD1-CZ 3.41Å; Y513-Y531 VanDerWaalsContact CD1-CZ 3.41Å; Y513-Y531 VanDerWaalsContact CD1-OH 3.26Å; Y513-Y531 WeakPolarHBondContact CD1-OH 3.25Å; Y513-Y531 HydrophobicContact CD2-CD2 4.44Å; Y513-Y531 HydrophobicContact CD2-CE1 4.49Å; Y513-Y531 HydrophobicContact CD2-CE2 4.22Å; Y513-Y531 HydrophobicContact CE1-CD2 4.03Å; Y513-Y531 AromaticContact CE1-CE2 3.34Å; Y513-Y531 HydrophobicContact CE1-CE2 3.34Å; Y513-Y531 AromaticContact CE1-CZ 3.9Å; Y513-Y531 HydrophobicContact CE2-CD2 4.18Å; Y513-Y531 HydrophobicContact CE2-CE2 4.19Å; Y513-Y531 HydrophobicContact CG-CD2 4.49Å; Y513-Y531 HydrophobicContact CG-CE1 4.06Å; Y513-Y531 AromaticContact CG-CE2 3.84Å; Y513-Y531 HydrophobicContact CG-CE2 3.84Å; Y513-Y531 AromaticContact CG-CZ 3.59Å; Y513-Y531 AromaticContact CZ-CD2 3.95Å; Y513-Y531 AromaticContact CZ-CE2 3.76Å; Y531-K535 WeakPolarHBondContact CB-O 3.45Å; Y531-K535 HydrophobicContact CD2-CB 4.25Å; Y531-K535 HydrophobicContact CG-CB 3.97Å; Y531-S536 WeakPolarHBondContact O-CB 3.37Å; Y531-S536 PolarHBondContact O-OG 3.45Å
532	C	95.9	Very high	93.8	Very high	11 Å²	11	81 Å²	81	7%	0.074	41%	0.41	C	S	.	.			trans	-100.5	157.2	171.1	-65.6	0	0	0	0	112	D460 R463	D460-C532 HydrophobicContact CB-CB 3.95Å; R463-C532 HydrophobicContact CB-CB 4.3Å
533	G	94.2	Very high	93.4	Very high	13 Å²	13	84.3 Å²	84.3	13%	0.134	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	66.6	-133.3	169	0	0	0	0	0	113.4	D460 K535 S536 G539	D460-G533 WeakPolarHBondContact OD2-CA 3.41Å; G533-K535 PolarHBondContact O-N 3.18Å; G533-S536 WeakPolarHBondContact O-CB 3.48Å; G533-S536 PolarHBondContact O-N 2.96Å; G533-G539 CarbonylContact O-C 3.46Å; G533-G539 VanDerWaalsContact O-C 3.28Å
534	Q	94.1	Very high	93.2	Very high	129 Å²	129	82 Å²	82	60%	0.603	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-68.1	-19.7	-175.1	-67.5	-176.9	-52.2	0	0	114.2	K457 R540	K457-Q534 VanDerWaalsContact CE-OE1 3.24Å; Q534-R540 HydrophobicContact CG-CB 4.15Å
535	K	94.7	Very high	92.9	Very high	110 Å²	110	78.9 Å²	78.9	48%	0.478	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-89.8	-7	176.3	-62.3	-174.7	-173.6	-179.7	0	113.1	E506 Y531 G533	E506-K535 IonicContact OE1-NZ 2.73Å; E506-K535 PolarHBondContact OE1-NZ 3.38Å; Y531-K535 WeakPolarHBondContact CB-O 3.45Å; Y531-K535 HydrophobicContact CD2-CB 4.25Å; Y531-K535 HydrophobicContact CG-CB 3.97Å; G533-K535 PolarHBondContact O-N 3.18Å
536	S	95.9	Very high	92.7	Very high	18 Å²	18	79 Å²	79	13%	0.126	42%	0.417	C	S	.	.	S	Bend	trans	-74.3	146.2	177.7	176.9	0	0	0	0	111.1	D530 Y531 G533 K538 G539	D530-S536 WeakPolarHBondContact OD2-CB 3.3Å; D530-S536 PolarHBondContact OD2-OG 2.97Å; Y531-S536 WeakPolarHBondContact O-CB 3.37Å; Y531-S536 PolarHBondContact O-OG 3.45Å; G533-S536 WeakPolarHBondContact O-CB 3.48Å; G533-S536 PolarHBondContact O-N 2.96Å; S536-K538 PolarHBondContact O-N 3.25Å; S536-K538 VanDerWaalsContact O-N 3.07Å; S536-K538 PolarHBondContact OG-N 2.79Å; S536-K538 VanDerWaalsContact OG-N 3.1Å; S536-G539 PolarHBondContact O-N 2.98Å
537	A	94.7	Very high	92.6	Very high	96 Å²	96	74 Å²	74	79%	0.793	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.2	168.8	0	0	0	0	0	113.5	D530	D530-A537 PolarHBondContact OD1-N 3.41Å; D530-A537 PolarHBondContact OD2-N 3.37Å; D530-A537 VanDerWaalsContact OD2-N 3.17Å
538	K	92	Very high	92.5	Very high	162 Å²	162	79.2 Å²	79.2	70%	0.704	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-0.7	178.1	-60.4	-174	179.4	-175.5	0	114	S536	S536-K538 PolarHBondContact O-N 3.25Å; S536-K538 VanDerWaalsContact O-N 3.07Å; S536-K538 PolarHBondContact OG-N 2.79Å; S536-K538 VanDerWaalsContact OG-N 3.1Å
539	G	90.8	Very high	92.4	Very high	38 Å²	38	78.9 Å²	78.9	39%	0.392	41%	0.406	S	S	.	.			trans	60.4	-171.7	-173.4	0	0	0	0	0	114	G533 S536	G533-G539 CarbonylContact O-C 3.46Å; G533-G539 VanDerWaalsContact O-C 3.28Å; S536-G539 PolarHBondContact O-N 2.98Å
540	R	88.2	Confident	92.4	Very high	59 Å²	59	82.2 Å²	82.2	22%	0.223	42%	0.423	C	S	.	.			trans	-107.5	128.5	177.2	175.1	171.9	165.7	-174.4	-4.6	110.4	L456 Q534 E542 L543	L456-R540 VanDerWaalsContact CD1-NH2 3.31Å; Q534-R540 HydrophobicContact CG-CB 4.15Å; R540-E542 PolarHBondContact O-N 3.4Å; R540-L543 VanDerWaalsContact NH2-CD1 3.33Å
541	K	87.8	Confident	92.4	Very high	191 Å²	191	82.8 Å²	82.8	83%	0.83	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-63.2	131.8	168.6	-65	-172.2	177.9	-172.5	0	110.3
542	E	87.1	Confident	92.4	Very high	192 Å²	192	80.8 Å²	80.8	90%	0.897	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-59.1	145.6	175.1	-64.4	-167.7	157.2	0	0	111.5	R540	R540-E542 PolarHBondContact O-N 3.4Å
543	L	84.9	Confident	92.5	Very high	76 Å²	76	83.1 Å²	83.1	40%	0.398	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-100.9	131.2	-179.7	-80.1	-163.8	0	0	0	110.3	L456 R540	L456-L543 HydrophobicContact CD1-CD1 3.29Å; R540-L543 VanDerWaalsContact NH2-CD1 3.33Å
544	S	88.4	Confident	92.7	Very high	45 Å²	45	82.6 Å²	82.6	32%	0.315	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-52.8	134.5	175.1	59.1	0	0	0	0	111.4	L546 R618	S544-L546 PolarHBondContact O-N 2.96Å; S544-R618 VanDerWaalsContact N-NH1 3.19Å; S544-R618 PolarHBondContact O-NH1 2.84Å; S544-R618 PolarHBondContact OG-NH1 2.99Å
545	P	87.9	Confident	92.7	Very high	99 Å²	99	76.8 Å²	76.8	64%	0.643	39%	0.394	S	S	*	.	S	Bend	trans	-70.7	-17.6	176.7	27.8	-34.7	0	0	0	112.8	L449 I547	L449-P545 HydrophobicContact CD1-CB 4.41Å; P545-I547 PolarHBondContact O-N 2.91Å
546	L	90.4	Very high	92.6	Very high	116 Å²	116	71.9 Å²	71.9	61%	0.607	37%	0.373	S	S	*	.			trans	-71.9	123.9	-179.9	-62	173.6	0	0	0	112	S544 R618 P619	S544-L546 PolarHBondContact O-N 2.96Å; L546-R618 WeakPolarHBondContact O-CG 3.33Å; L546-P619 HydrophobicContact CB-CG 3.81Å; L546-P619 HydrophobicContact CD1-CG 4.36Å; L546-P619 WeakPolarHBondContact O-CD 3.35Å
547	I	93.1	Very high	92.5	Very high	29 Å²	29	71 Å²	71	15%	0.149	37%	0.367	C	S	.	.			trans	-125.5	143.2	-177.1	-78.9	171.7	0	0	0	110.8	V448 L449 P545 Y616	V448-I547 HydrophobicContact CG1-CD1 4.12Å; L449-I547 HydrophobicContact CD2-CD1 3.53Å; L449-I547 HydrophobicContact CD2-CG1 4.32Å; L449-I547 HydrophobicContact CG-CD1 3.69Å; P545-I547 PolarHBondContact O-N 2.91Å; I547-Y616 HydrophobicContact CG2-CD1 3.77Å; I547-Y616 HydrophobicContact CG2-CG 3.75Å
548	Y	93.7	Very high	92.4	Very high	119 Å²	119	66.9 Å²	66.9	47%	0.467	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	105	166.6	-75.9	-52.6	0	0	0	112.2	L550 Q551 S617 P619	Y548-L550 PolarHBondContact O-N 2.92Å; Y548-Q551 PolarHBondContact O-N 2.82Å; Y548-S617 PolarHBondContact N-O 3.31Å; Y548-P619 VanDerWaalsContact CE2-CA 3.4Å; Y548-P619 HydrophobicContact CE2-CB 3.95Å
549	K	94.8	Very high	92.3	Very high	77 Å²	77	61.5 Å²	61.5	34%	0.335	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	-4	-178.1	-46.9	-166.3	-171	-154.8	0	116.2	D445 P592 T595	D445-K549 WeakPolarHBondContact OD1-CE 3.4Å; D445-K549 IonicContact OD1-NZ 3.28Å; D445-K549 PolarHBondContact OD1-NZ 2.87Å; D445-K549 WeakPolarHBondContact OD2-CE 3.44Å; D445-K549 IonicContact OD2-NZ 2.67Å; D445-K549 PolarHBondContact OD2-NZ 3.15Å; K549-P592 HydrophobicContact CB-CB 4.26Å; K549-P592 WeakPolarHBondContact O-CA 3.43Å; K549-T595 WeakPolarHBondContact O-CB 3.25Å; K549-T595 WeakPolarHBondContact O-CG2 3.44Å; K549-T595 PolarHBondContact O-OG1 3.02Å
550	L	97.1	Very high	92.3	Very high	81 Å²	81	67.6 Å²	67.6	42%	0.424	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	-0.5	-178.8	-65.2	178.9	0	0	0	113.8	Y548 T588 F589 P592	Y548-L550 PolarHBondContact O-N 2.92Å; L550-T588 WeakPolarHBondContact O-CA 3.11Å; L550-F589 PolarHBondContact O-N 3.32Å; L550-P592 HydrophobicContact CD2-CB 4.27Å
551	Q	97.6	Very high	92.5	Very high	36 Å²	36	65.5 Å²	65.5	17%	0.168	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	129.1	-174.2	-171.8	-178	55.6	0	0	110.9	Y548 L586 V587 T588 S617	Y548-Q551 PolarHBondContact O-N 2.82Å; Q551-L586 HydrophobicContact CG-CD2 4.49Å; Q551-V587 CarbonylContact C-O 3.15Å; Q551-V587 VanDerWaalsContact CA-O 3.29Å; Q551-V587 WeakPolarHBondContact CA-O 3.29Å; Q551-T588 PolarHBondContact NE2-OG1 2.85Å; Q551-S617 VanDerWaalsContact O-CB 3.25Å; Q551-S617 WeakPolarHBondContact O-CB 3.48Å; Q551-S617 PolarHBondContact O-N 3.23Å; Q551-S617 VanDerWaalsContact OE1-CB 3.23Å; Q551-S617 PolarHBondContact OE1-OG 3.2Å
552	L	98.1	Very high	92.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.2	171.1	-59.2	-179.2	0	0	0	110.6	L586 V587 F589 T595 A598 F599 V614 L615 Y616	L552-L586 WeakPolarHBondContact O-CA 3.41Å; L552-V587 PolarHBondContact N-O 3.38Å; L552-V587 PolarHBondContact O-N 2.89Å; L552-F589 HydrophobicContact CD1-CE2 3.71Å; L552-F589 HydrophobicContact CD1-CZ 4.28Å; L552-F589 HydrophobicContact CG-CE2 3.9Å; L552-T595 HydrophobicContact CD2-CG2 3.59Å; L552-T595 HydrophobicContact CG-CG2 3.84Å; L552-A598 HydrophobicContact CD1-CB 3.82Å; L552-F599 HydrophobicContact CD1-CB 4.36Å; L552-F599 HydrophobicContact CD2-CB 4.1Å; L552-F599 HydrophobicContact CD2-CD2 4.28Å; L552-V614 HydrophobicContact CB-CG1 4.22Å; L552-V614 HydrophobicContact CD1-CG1 3.74Å; L552-V614 HydrophobicContact CG-CG1 4.41Å; L552-L615 CarbonylContact C-O 3.56Å; L552-L615 VanDerWaalsContact CA-O 3.28Å; L552-L615 WeakPolarHBondContact CA-O 3.36Å; L552-L615 WeakPolarHBondContact CB-O 3.39Å; L552-L615 WeakPolarHBondContact CD2-O 3.33Å; L552-Y616 HydrophobicContact CD2-CD1 3.84Å; L552-Y616 HydrophobicContact CD2-CD2 4.23Å; L552-Y616 HydrophobicContact CD2-CE1 4.07Å; L552-Y616 HydrophobicContact CD2-CE2 4.41Å; L552-Y616 HydrophobicContact CD2-CG 3.94Å
553	F	97.4	Very high	93.3	Very high	60 Å²	60	52.5 Å²	52.5	26%	0.263	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.2	170.2	173.4	-97.2	0	0	0	108.1	Y584 L586 L615	F553-Y584 HydrophobicContact CD2-CD2 4.03Å; F553-Y584 HydrophobicContact CD2-CG 4.36Å; F553-Y584 AromaticContact CE2-CD1 3.97Å; F553-Y584 HydrophobicContact CE2-CD1 3.97Å; F553-Y584 AromaticContact CE2-CD2 3.46Å; F553-Y584 HydrophobicContact CE2-CD2 3.46Å; F553-Y584 VanDerWaalsContact CE2-CD2 3.46Å; F553-Y584 HydrophobicContact CE2-CE1 4.45Å; F553-Y584 HydrophobicContact CE2-CE2 4.01Å; F553-Y584 AromaticContact CE2-CG 3.44Å; F553-Y584 HydrophobicContact CE2-CG 3.44Å; F553-Y584 VanDerWaalsContact CE2-CG 3.44Å; F553-Y584 HydrophobicContact CZ-CD1 4.25Å; F553-Y584 HydrophobicContact CZ-CD2 4.4Å; F553-Y584 AromaticContact CZ-CG 3.94Å; F553-Y584 HydrophobicContact CZ-CG 3.94Å; F553-L586 HydrophobicContact CB-CD2 4.26Å; F553-L586 HydrophobicContact CD2-CD2 3.89Å; F553-L615 HydrophobicContact CD1-CB 4.48Å; F553-L615 HydrophobicContact CD1-CD1 4.33Å; F553-L615 PolarHBondContact N-O 3.45Å; F553-L615 PolarHBondContact O-N 3.5Å
554	I	97.2	Very high	93.9	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.2	176.9	-53.2	174	0	0	0	107.3	L557 I566 F570 Y584 G585 V587 I612 T613 V614	I554-L557 HydrophobicContact CG2-CD2 3.69Å; I554-L557 HydrophobicContact CG2-CG 4.43Å; I554-I566 HydrophobicContact CD1-CG2 3.76Å; I554-F570 HydrophobicContact CD1-CD2 3.96Å; I554-F570 HydrophobicContact CD1-CE2 3.42Å; I554-F570 VanDerWaalsContact CD1-CE2 3.42Å; I554-F570 HydrophobicContact CD1-CZ 4.16Å; I554-F570 HydrophobicContact CG1-CE2 4.46Å; I554-Y584 CarbonylContact O-C 3.52Å; I554-Y584 WeakPolarHBondContact O-CA 3.4Å; I554-Y584 VanDerWaalsContact O-CB 3.3Å; I554-Y584 WeakPolarHBondContact O-CB 3.31Å; I554-G585 PolarHBondContact N-O 3Å; I554-G585 PolarHBondContact O-N 3.2Å; I554-V587 HydrophobicContact CD1-CG2 3.51Å; I554-V587 HydrophobicContact CG1-CG2 4.27Å; I554-I612 HydrophobicContact CG2-CB 4.17Å; I554-I612 HydrophobicContact CG2-CD1 4.01Å; I554-T613 WeakPolarHBondContact CA-O 3.35Å; I554-V614 HydrophobicContact CG1-CG2 4.38Å
555	S	94.7	Very high	94.3	Very high	7 Å²	7	55.9 Å²	55.9	5%	0.049	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	159.9	171.9	66.1	0	0	0	0	111.9	T613	S555-T613 PolarHBondContact N-O 3.44Å; S555-T613 PolarHBondContact O-N 3.46Å
556	D	93	Very high	94.7	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.037	26%	0.257	C	S	.	.			trans	70.8	42.2	166.4	-39.8	-68.6	0	0	0	113.4	R459 R463 I502 R583	R459-D556 IonicContact NH1-OD1 2.62Å; R459-D556 IonicContact NH1-OD2 3Å; R463-D556 IonicContact CZ-OD1 2.73Å; R463-D556 IonicContact CZ-OD2 3.5Å; R463-D556 VanDerWaalsContact CZ-OD2 3.27Å; R463-D556 IonicContact NH1-OD1 2.61Å; R463-D556 PolarHBondContact NH1-OD1 2.6Å; R463-D556 IonicContact NH1-OD2 3.46Å; R463-D556 PolarHBondContact NH1-OD2 3.17Å; R463-D556 VanDerWaalsContact NH2-CB 3.34Å; R463-D556 IonicContact NH2-OD1 2.61Å; R463-D556 IonicContact NH2-OD2 2.86Å; R463-D556 PolarHBondContact NH2-OD2 2.81Å; I502-D556 HydrophobicContact CD1-CB 4.47Å; D556-R583 PolarHBondContact N-O 2.86Å
557	L	94.7	Very high	95.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	25%	0.253	C	S	.	.			trans	-70.1	133.2	170.9	-59.9	176.4	0	0	0	110.1	I554 V561 I566 V578 R583 Y584 L607 I612	I554-L557 HydrophobicContact CG2-CD2 3.69Å; I554-L557 HydrophobicContact CG2-CG 4.43Å; L557-V561 HydrophobicContact CB-CB 4.41Å; L557-V561 HydrophobicContact CB-CG2 4.49Å; L557-V561 HydrophobicContact CD2-CG1 4.42Å; L557-I566 HydrophobicContact CD1-CD1 3.6Å; L557-I566 HydrophobicContact CD2-CD1 3.67Å; L557-I566 HydrophobicContact CD2-CG1 4.49Å; L557-I566 HydrophobicContact CG-CD1 4.3Å; L557-V578 HydrophobicContact CD1-CG1 4.01Å; L557-V578 HydrophobicContact CD1-CG2 4.2Å; L557-R583 PolarHBondContact N-O 2.92Å; L557-R583 VanDerWaalsContact N-O 3.14Å; L557-R583 WeakPolarHBondContact O-CB 3.33Å; L557-Y584 VanDerWaalsContact CD1-C 3.49Å; L557-L607 HydrophobicContact CD2-CD1 4.06Å; L557-I612 HydrophobicContact CD2-CG2 4.28Å
558	P	92.7	Very high	95.3	Very high	8 Å²	8	58.2 Å²	58.2	5%	0.052	28%	0.28	C	S	.	.			trans	-54.7	150.5	167.2	-26.2	30.5	0	0	0	112.7	E487 H560 V561 L607 N608 V610	E487-P558 WeakPolarHBondContact OE2-CA 3.48Å; E487-P558 WeakPolarHBondContact OE2-CB 3.5Å; P558-H560 PolarHBondContact O-N 3.26Å; P558-V561 HydrophobicContact CB-CG2 3.97Å; P558-V561 HydrophobicContact CG-CG2 4.06Å; P558-V561 WeakPolarHBondContact O-CG2 3.32Å; P558-V561 PolarHBondContact O-N 2.81Å; P558-V561 VanDerWaalsContact O-N 3.12Å; P558-L607 HydrophobicContact CG-CB 4.29Å; P558-L607 WeakPolarHBondContact CG-O 3.25Å; P558-N608 HydrophobicContact CG-CB 4.46Å; P558-V610 HydrophobicContact CG-CB 3.94Å; P558-V610 HydrophobicContact CG-CG1 4.48Å; P558-V610 HydrophobicContact CG-CG2 4.07Å
559	A	88.6	Confident	95.4	Very high	50 Å²	50	54.8 Å²	54.8	41%	0.413	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.6	-173.5	0	0	0	0	0	115.8	E487	E487-A559 PolarHBondContact OE1-N 2.67Å
560	H	90	Very high	95.5	Very high	166 Å²	166	51.4 Å²	51.4	77%	0.769	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	8.6	-176.7	-54.1	-71.5	0	0	0	114	P558 S562	P558-H560 PolarHBondContact O-N 3.26Å; H560-S562 PolarHBondContact O-N 2.71Å
561	V	94.1	Very high	95.6	Very high	14 Å²	14	53 Å²	53	9%	0.085	27%	0.27	C	S	.	.			trans	-71.2	126.1	-178.1	173.2	0	0	0	0	111.7	L557 P558 Q565 I566 L607	L557-V561 HydrophobicContact CB-CB 4.41Å; L557-V561 HydrophobicContact CB-CG2 4.49Å; L557-V561 HydrophobicContact CD2-CG1 4.42Å; P558-V561 HydrophobicContact CB-CG2 3.97Å; P558-V561 HydrophobicContact CG-CG2 4.06Å; P558-V561 WeakPolarHBondContact O-CG2 3.32Å; P558-V561 PolarHBondContact O-N 2.81Å; P558-V561 VanDerWaalsContact O-N 3.12Å; V561-Q565 HydrophobicContact CG1-CB 4.36Å; V561-I566 HydrophobicContact CG1-CD1 3.98Å; V561-I566 HydrophobicContact CG1-CG1 3.71Å; V561-L607 HydrophobicContact CG1-CD1 3.93Å; V561-L607 HydrophobicContact CG2-CB 4.36Å; V561-L607 HydrophobicContact CG2-CD1 3.84Å
562	S	95.5	Very high	95.6	Very high	45 Å²	45	56 Å²	56	32%	0.315	28%	0.282	S	S	.	.			trans	-88.1	162.2	173.9	77.7	0	0	0	0	112	H560 E564 Q565	H560-S562 PolarHBondContact O-N 2.71Å; S562-E564 PolarHBondContact O-N 3.19Å; S562-E564 PolarHBondContact OG-N 2.77Å; S562-Q565 PolarHBondContact O-N 2.79Å; S562-Q565 PolarHBondContact OG-N 2.84Å
563	N	96.2	Very high	95.6	Very high	66 Å²	66	57.2 Å²	57.2	35%	0.353	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-24.2	170.6	-71	-58	0	0	0	112.6	R567 V578	N563-R567 WeakPolarHBondContact O-CG 3.45Å; N563-R567 PolarHBondContact O-N 3.27Å; N563-V578 WeakPolarHBondContact OD1-CB 3.45Å; N563-V578 VanDerWaalsContact OD1-CG2 3.31Å; N563-V578 WeakPolarHBondContact OD1-CG2 3.23Å; N563-V578 PolarHBondContact OD1-N 2.91Å
564	E	97.1	Very high	95.6	Very high	134 Å²	134	61.8 Å²	61.8	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-76.2	-45.4	-176.5	-61.4	174.6	159.7	0	0	111.1	S562 I566 R567 E568	S562-E564 PolarHBondContact O-N 3.19Å; S562-E564 PolarHBondContact OG-N 2.77Å; E564-I566 PolarHBondContact O-N 3.27Å; E564-R567 CarbonylContact O-C 3.54Å; E564-R567 WeakPolarHBondContact O-CA 3.5Å; E564-R567 WeakPolarHBondContact O-CB 3.44Å; E564-R567 PolarHBondContact O-N 3.37Å; E564-E568 PolarHBondContact O-N 3.37Å
565	Q	96.7	Very high	95.6	Very high	58 Å²	58	66.3 Å²	66.3	27%	0.271	33%	0.333	S	S	.	.	H	α-helix	trans	-57.6	-34.8	174.6	-70.4	176.5	-20.7	0	0	112.5	V561 S562 E568 L569	V561-Q565 HydrophobicContact CG1-CB 4.36Å; S562-Q565 PolarHBondContact O-N 2.79Å; S562-Q565 PolarHBondContact OG-N 2.84Å; Q565-E568 PolarHBondContact O-N 3.47Å; Q565-L569 PolarHBondContact O-N 3.21Å
566	I	97.2	Very high	95.8	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-74.3	-32.7	174.3	-58.5	-167.9	0	0	0	111.9	I554 L557 V561 E564 E568 L569 F570 V576 V578 V587	I554-I566 HydrophobicContact CD1-CG2 3.76Å; L557-I566 HydrophobicContact CD1-CD1 3.6Å; L557-I566 HydrophobicContact CD2-CD1 3.67Å; L557-I566 HydrophobicContact CD2-CG1 4.49Å; L557-I566 HydrophobicContact CG-CD1 4.3Å; V561-I566 HydrophobicContact CG1-CD1 3.98Å; V561-I566 HydrophobicContact CG1-CG1 3.71Å; E564-I566 PolarHBondContact O-N 3.27Å; I566-E568 VanDerWaalsContact C-N 3.31Å; I566-L569 PolarHBondContact O-N 2.96Å; I566-F570 HydrophobicContact CG2-CD2 3.93Å; I566-F570 HydrophobicContact CG2-CE2 4.48Å; I566-F570 WeakPolarHBondContact O-CD2 3.28Å; I566-F570 PolarHBondContact O-N 2.83Å; I566-V576 HydrophobicContact CB-CG1 3.86Å; I566-V576 HydrophobicContact CG2-CG1 3.67Å; I566-V578 HydrophobicContact CD1-CG2 3.41Å; I566-V578 VanDerWaalsContact CD1-CG2 3.41Å; I566-V578 HydrophobicContact CG1-CG2 4.26Å; I566-V587 HydrophobicContact CG2-CG2 3.76Å
567	R	97.4	Very high	95.9	Very high	138 Å²	138	69.6 Å²	69.6	52%	0.521	35%	0.348	S	S	.	.	H	α-helix	trans	-67.6	-31.9	172.2	-72.1	171.7	-174.1	-179.8	3.7	112.2	N563 E564 F570 P571 V576	N563-R567 WeakPolarHBondContact O-CG 3.45Å; N563-R567 PolarHBondContact O-N 3.27Å; E564-R567 CarbonylContact O-C 3.54Å; E564-R567 WeakPolarHBondContact O-CA 3.5Å; E564-R567 WeakPolarHBondContact O-CB 3.44Å; E564-R567 PolarHBondContact O-N 3.37Å; R567-F570 CarbonylContact O-C 3.57Å; R567-F570 PolarHBondContact O-N 2.82Å; R567-P571 WeakPolarHBondContact O-CA 3.5Å; R567-P571 VanDerWaalsContact O-N 3.17Å; R567-V576 HydrophobicContact CG-CB 4.06Å; R567-V576 HydrophobicContact CG-CG1 4.5Å; R567-V576 HydrophobicContact CG-CG2 3.67Å
568	E	97.3	Very high	96	Very high	153 Å²	153	70.7 Å²	70.7	72%	0.715	36%	0.355	S	S	*	.	H	α-helix	trans	-65.2	-41.2	172.6	-69.8	173	178.9	0	0	111.9	E564 Q565 I566	E564-E568 PolarHBondContact O-N 3.37Å; Q565-E568 PolarHBondContact O-N 3.47Å; I566-E568 VanDerWaalsContact C-N 3.31Å
569	L	96.6	Very high	96	Very high	47 Å²	47	73.1 Å²	73.1	25%	0.246	37%	0.366	C	S	.	.	H	α-helix	trans	-67.7	-35.9	172.7	-68.8	-175	0	0	0	113.2	Q565 I566 P571 M605 L607 I612	Q565-L569 PolarHBondContact O-N 3.21Å; I566-L569 PolarHBondContact O-N 2.96Å; L569-P571 VanDerWaalsContact C-CD 3.45Å; L569-P571 WeakPolarHBondContact O-CD 3.33Å; L569-M605 HydrophobicContact CB-SD 4.1Å; L569-M605 HydrophobicContact CD1-SD 4.13Å; L569-M605 HydrophobicContact CD2-SD 4.2Å; L569-M605 HydrophobicContact CG-SD 4.39Å; L569-L607 HydrophobicContact CD1-CD1 4Å; L569-L607 HydrophobicContact CD1-CD2 3.68Å; L569-L607 HydrophobicContact CD1-CG 3.82Å; L569-L607 HydrophobicContact CG-CD2 4.16Å; L569-I612 HydrophobicContact CD1-CD1 3.7Å
570	F	97.4	Very high	96	Very high	6 Å²	6	75.5 Å²	75.5	3%	0.026	38%	0.375	C	S	.	.			trans	-122.6	69.3	-176.1	-60.2	-77	0	0	0	111.8	I554 I566 R567 K572 A573 V587 F589 A598 M605 V614	I554-F570 HydrophobicContact CD1-CD2 3.96Å; I554-F570 HydrophobicContact CD1-CE2 3.42Å; I554-F570 VanDerWaalsContact CD1-CE2 3.42Å; I554-F570 HydrophobicContact CD1-CZ 4.16Å; I554-F570 HydrophobicContact CG1-CE2 4.46Å; I566-F570 HydrophobicContact CG2-CD2 3.93Å; I566-F570 HydrophobicContact CG2-CE2 4.48Å; I566-F570 WeakPolarHBondContact O-CD2 3.28Å; I566-F570 PolarHBondContact O-N 2.83Å; R567-F570 CarbonylContact O-C 3.57Å; R567-F570 PolarHBondContact O-N 2.82Å; F570-K572 PolarHBondContact O-N 3.02Å; F570-K572 VanDerWaalsContact O-N 3.1Å; F570-A573 HydrophobicContact CB-CB 4.1Å; F570-A573 WeakPolarHBondContact O-CB 3.42Å; F570-A573 PolarHBondContact O-N 2.91Å; F570-V587 HydrophobicContact CB-CG1 4.14Å; F570-V587 HydrophobicContact CD2-CG2 4.44Å; F570-V587 HydrophobicContact CG-CG1 4.35Å; F570-F589 HydrophobicContact CB-CZ 4.31Å; F570-F589 HydrophobicContact CD1-CZ 4.06Å; F570-F589 HydrophobicContact CG-CZ 4.45Å; F570-A598 HydrophobicContact CD1-CB 3.87Å; F570-A598 HydrophobicContact CE1-CB 4.06Å; F570-M605 HydrophobicContact CE1-CE 4.09Å; F570-M605 HydrophobicContact CE1-SD 4.07Å; F570-M605 HydrophobicContact CE2-SD 4.06Å; F570-M605 HydrophobicContact CZ-CE 4.17Å; F570-M605 HydrophobicContact CZ-SD 3.53Å; F570-M605 VanDerWaalsContact CZ-SD 3.53Å; F570-V614 HydrophobicContact CZ-CG2 4.06Å
571	P	97.5	Very high	95.9	Very high	114 Å²	114	78.4 Å²	78.4	74%	0.74	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.9	-175.7	26.7	-35.9	0	0	0	113.8	R567 L569 A573	R567-P571 WeakPolarHBondContact O-CA 3.5Å; R567-P571 VanDerWaalsContact O-N 3.17Å; L569-P571 VanDerWaalsContact C-CD 3.45Å; L569-P571 WeakPolarHBondContact O-CD 3.33Å; P571-A573 VanDerWaalsContact C-N 3.32Å
572	K	97.9	Very high	95.5	Very high	100 Å²	100	79.5 Å²	79.5	44%	0.435	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-2.9	172.8	-67.2	176.1	171.6	176.4	0	113.4	F570 F589 E594 E597	F570-K572 PolarHBondContact O-N 3.02Å; F570-K572 VanDerWaalsContact O-N 3.1Å; K572-F589 HydrophobicContact CB-CD1 4.27Å; K572-F589 HydrophobicContact CB-CE1 4.14Å; K572-F589 WeakPolarHBondContact O-CD1 3.43Å; K572-E594 HydrophobicContact CD-CG 4.49Å; K572-E597 IonicContact NZ-OE1 3.94Å; K572-E597 PolarHBondContact NZ-OE1 3.44Å; K572-E597 IonicContact NZ-OE2 2.67Å; K572-E597 PolarHBondContact NZ-OE2 3.46Å
573	A	98.1	Very high	95.3	Very high	26 Å²	26	78.6 Å²	78.6	22%	0.215	38%	0.377	C	S	.	.			trans	-69.3	133.2	-178.1	0	0	0	0	0	112.1	F570 P571 V576 V587 F589	F570-A573 HydrophobicContact CB-CB 4.1Å; F570-A573 WeakPolarHBondContact O-CB 3.42Å; F570-A573 PolarHBondContact O-N 2.91Å; P571-A573 VanDerWaalsContact C-N 3.32Å; A573-V576 HydrophobicContact CB-CG2 3.7Å; A573-V587 HydrophobicContact CB-CG1 3.49Å; A573-V587 VanDerWaalsContact CB-CG1 3.49Å; A573-F589 HydrophobicContact CB-CE1 4.29Å
574	K	97.9	Very high	95.3	Very high	155 Å²	155	78.2 Å²	78.2	67%	0.674	37%	0.371	S	S	*	.	S	Bend	trans	-82.1	-35	174.1	179.7	-177.1	177.9	-180	0	112.1	T588	K574-T588 WeakPolarHBondContact CA-O 3.35Å; K574-T588 WeakPolarHBondContact CB-O 3.44Å; K574-T588 PolarHBondContact N-O 2.83Å
575	H	97.8	Very high	95.2	Very high	96 Å²	96	71.8 Å²	71.8	44%	0.444	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	140.3	178.4	-172.8	-101.4	0	0	0	109.5	E577 V587 T588	H575-E577 IonicContact CE1-OE2 2.72Å; H575-V587 WeakPolarHBondContact O-CA 3.48Å; H575-T588 PolarHBondContact N-O 2.73Å; H575-T588 VanDerWaalsContact N-O 3.15Å; H575-T588 PolarHBondContact O-N 2.68Å
576	V	97.8	Very high	95.3	Very high	7 Å²	7	70.2 Å²	70.2	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.6	178.1	175.4	0	0	0	0	107.4	I566 R567 A573 L586 V587	I566-V576 HydrophobicContact CB-CG1 3.86Å; I566-V576 HydrophobicContact CG2-CG1 3.67Å; R567-V576 HydrophobicContact CG-CB 4.06Å; R567-V576 HydrophobicContact CG-CG1 4.5Å; R567-V576 HydrophobicContact CG-CG2 3.67Å; A573-V576 HydrophobicContact CB-CG2 3.7Å; V576-L586 WeakPolarHBondContact CA-O 3.39Å; V576-V587 HydrophobicContact CG1-CG2 4.48Å; V576-V587 HydrophobicContact CG2-CG1 4.26Å; V576-V587 HydrophobicContact CG2-CG2 4.31Å
577	E	96.6	Very high	95.3	Very high	77 Å²	77	70.1 Å²	70.1	36%	0.36	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	103.6	-176.7	-178.3	178.6	175.1	0	0	109.7	H575 M579 G585 L586	H575-E577 IonicContact CE1-OE2 2.72Å; E577-M579 VanDerWaalsContact OE1-CE 3.31Å; E577-M579 WeakPolarHBondContact OE1-CE 3.48Å; E577-G585 CarbonylContact O-C 3.49Å; E577-G585 WeakPolarHBondContact O-CA 3.48Å; E577-L586 HydrophobicContact CB-CB 4.44Å; E577-L586 PolarHBondContact N-O 3.35Å; E577-L586 PolarHBondContact O-N 3.01Å
578	V	95.9	Very high	95.3	Very high	23 Å²	23	65.3 Å²	65.3	14%	0.139	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.6	172.8	175.6	0	0	0	0	110.3	L557 N563 I566 T580	L557-V578 HydrophobicContact CD1-CG1 4.01Å; L557-V578 HydrophobicContact CD1-CG2 4.2Å; N563-V578 WeakPolarHBondContact OD1-CB 3.45Å; N563-V578 VanDerWaalsContact OD1-CG2 3.31Å; N563-V578 WeakPolarHBondContact OD1-CG2 3.23Å; N563-V578 PolarHBondContact OD1-N 2.91Å; I566-V578 HydrophobicContact CD1-CG2 3.41Å; I566-V578 VanDerWaalsContact CD1-CG2 3.41Å; I566-V578 HydrophobicContact CG1-CG2 4.26Å; V578-T580 PolarHBondContact O-N 3.32Å
579	M	93.2	Very high	95.4	Very high	60 Å²	60	58.2 Å²	58.2	30%	0.296	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	84.5	173	-63.7	-158.6	-174.1	0	0	110.2	E577 R581 S582 R583 Y584 L586	E577-M579 VanDerWaalsContact OE1-CE 3.31Å; E577-M579 WeakPolarHBondContact OE1-CE 3.48Å; M579-R581 PolarHBondContact O-N 3.44Å; M579-S582 CarbonylContact O-C 3.51Å; M579-S582 PolarHBondContact O-N 3.33Å; M579-R583 PolarHBondContact O-N 3.44Å; M579-Y584 HydrophobicContact CB-CD2 4.24Å; M579-Y584 HydrophobicContact CB-CE2 3.99Å; M579-Y584 HydrophobicContact CE-CE2 4.25Å; M579-Y584 HydrophobicContact CG-CD2 4.37Å; M579-Y584 HydrophobicContact CG-CE2 3.83Å; M579-Y584 PolarHBondContact N-O 2.98Å; M579-Y584 HydrophobicContact SD-CE2 3.48Å; M579-Y584 WeakPolarHBondContact SD-CE2 3.31Å; M579-Y584 VanDerWaalsContact SD-CZ 3.52Å; M579-Y584 PolarHBondContact SD-OH 3.3Å; M579-L586 HydrophobicContact CE-CD1 4.17Å
580	T	88.4	Confident	95.5	Very high	99 Å²	99	59.4 Å²	59.4	61%	0.607	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-36.1	-174.8	-41.4	0	0	0	0	113.7	V578 S582 R583	V578-T580 PolarHBondContact O-N 3.32Å; T580-S582 VanDerWaalsContact C-N 3.33Å; T580-S582 PolarHBondContact O-N 3.01Å; T580-R583 WeakPolarHBondContact O-CG 3.45Å
581	R	87.4	Confident	95.5	Very high	228 Å²	228	61.6 Å²	61.6	86%	0.86	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-33.9	178.6	-69.8	-177	176	174.3	-1.9	113.7	M579	M579-R581 PolarHBondContact O-N 3.44Å
582	S	86.5	Confident	95.4	Very high	36 Å²	36	59.5 Å²	59.5	25%	0.252	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-0.1	-176.2	-60.2	0	0	0	0	113.5	M579 T580 Y584	M579-S582 CarbonylContact O-C 3.51Å; M579-S582 PolarHBondContact O-N 3.33Å; T580-S582 VanDerWaalsContact C-N 3.33Å; T580-S582 PolarHBondContact O-N 3.01Å; S582-Y584 PolarHBondContact O-N 3.2Å
583	R	90.9	Very high	95.3	Very high	26 Å²	26	62.2 Å²	62.2	10%	0.098	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	45	178.1	-70.6	-172.1	-63.3	132.6	14.7	113.9	E487 F489 K490 D556 L557 M579 T580	E487-R583 IonicContact OE1-NH1 3.73Å; E487-R583 PolarHBondContact OE1-NH1 3.36Å; F489-R583 HydrophobicContact CE2-CB 3.63Å; F489-R583 HydrophobicContact CZ-CB 4Å; K490-R583 PolarHBondContact O-NH2 3.26Å; D556-R583 PolarHBondContact N-O 2.86Å; L557-R583 PolarHBondContact N-O 2.92Å; L557-R583 VanDerWaalsContact N-O 3.14Å; L557-R583 WeakPolarHBondContact O-CB 3.33Å; M579-R583 PolarHBondContact O-N 3.44Å; T580-R583 WeakPolarHBondContact O-CG 3.45Å
584	Y	94.8	Very high	95.3	Very high	58 Å²	58	63.4 Å²	63.4	23%	0.227	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.1	164.8	66.1	-107.2	0	0	0	110.4	F553 I554 L557 M579 S582	F553-Y584 HydrophobicContact CD2-CD2 4.03Å; F553-Y584 HydrophobicContact CD2-CG 4.36Å; F553-Y584 AromaticContact CE2-CD1 3.97Å; F553-Y584 HydrophobicContact CE2-CD1 3.97Å; F553-Y584 AromaticContact CE2-CD2 3.46Å; F553-Y584 HydrophobicContact CE2-CD2 3.46Å; F553-Y584 VanDerWaalsContact CE2-CD2 3.46Å; F553-Y584 HydrophobicContact CE2-CE1 4.45Å; F553-Y584 HydrophobicContact CE2-CE2 4.01Å; F553-Y584 AromaticContact CE2-CG 3.44Å; F553-Y584 HydrophobicContact CE2-CG 3.44Å; F553-Y584 VanDerWaalsContact CE2-CG 3.44Å; F553-Y584 HydrophobicContact CZ-CD1 4.25Å; F553-Y584 HydrophobicContact CZ-CD2 4.4Å; F553-Y584 AromaticContact CZ-CG 3.94Å; F553-Y584 HydrophobicContact CZ-CG 3.94Å; I554-Y584 CarbonylContact O-C 3.52Å; I554-Y584 WeakPolarHBondContact O-CA 3.4Å; I554-Y584 VanDerWaalsContact O-CB 3.3Å; I554-Y584 WeakPolarHBondContact O-CB 3.31Å; L557-Y584 VanDerWaalsContact CD1-C 3.49Å; M579-Y584 HydrophobicContact CB-CD2 4.24Å; M579-Y584 HydrophobicContact CB-CE2 3.99Å; M579-Y584 HydrophobicContact CE-CE2 4.25Å; M579-Y584 HydrophobicContact CG-CD2 4.37Å; M579-Y584 HydrophobicContact CG-CE2 3.83Å; M579-Y584 PolarHBondContact N-O 2.98Å; M579-Y584 HydrophobicContact SD-CE2 3.48Å; M579-Y584 WeakPolarHBondContact SD-CE2 3.31Å; M579-Y584 VanDerWaalsContact SD-CZ 3.52Å; M579-Y584 PolarHBondContact SD-OH 3.3Å; S582-Y584 PolarHBondContact O-N 3.2Å
585	G	96.5	Very high	95.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.5	175.4	0	0	0	0	0	111.8	I554 E577	I554-G585 PolarHBondContact N-O 3Å; I554-G585 PolarHBondContact O-N 3.2Å; E577-G585 CarbonylContact O-C 3.49Å; E577-G585 WeakPolarHBondContact O-CA 3.48Å
586	L	97.4	Very high	95.3	Very high	24 Å²	24	56.3 Å²	56.3	13%	0.126	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.7	169.1	-66.9	174.2	0	0	0	109.2	Q551 L552 F553 V576 E577 M579	Q551-L586 HydrophobicContact CG-CD2 4.49Å; L552-L586 WeakPolarHBondContact O-CA 3.41Å; F553-L586 HydrophobicContact CB-CD2 4.26Å; F553-L586 HydrophobicContact CD2-CD2 3.89Å; V576-L586 WeakPolarHBondContact CA-O 3.39Å; E577-L586 HydrophobicContact CB-CB 4.44Å; E577-L586 PolarHBondContact N-O 3.35Å; E577-L586 PolarHBondContact O-N 3.01Å; M579-L586 HydrophobicContact CE-CD1 4.17Å
587	V	98.2	Very high	95.2	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	114.8	-179.2	-178.4	0	0	0	0	109.1	Q551 L552 I554 I566 F570 A573 H575 V576 F589	Q551-V587 CarbonylContact C-O 3.15Å; Q551-V587 VanDerWaalsContact CA-O 3.29Å; Q551-V587 WeakPolarHBondContact CA-O 3.29Å; L552-V587 PolarHBondContact N-O 3.38Å; L552-V587 PolarHBondContact O-N 2.89Å; I554-V587 HydrophobicContact CD1-CG2 3.51Å; I554-V587 HydrophobicContact CG1-CG2 4.27Å; I566-V587 HydrophobicContact CG2-CG2 3.76Å; F570-V587 HydrophobicContact CB-CG1 4.14Å; F570-V587 HydrophobicContact CD2-CG2 4.44Å; F570-V587 HydrophobicContact CG-CG1 4.35Å; A573-V587 HydrophobicContact CB-CG1 3.49Å; A573-V587 VanDerWaalsContact CB-CG1 3.49Å; H575-V587 WeakPolarHBondContact O-CA 3.48Å; V576-V587 HydrophobicContact CG1-CG2 4.48Å; V576-V587 HydrophobicContact CG2-CG1 4.26Å; V576-V587 HydrophobicContact CG2-CG2 4.31Å; V587-F589 HydrophobicContact CB-CE2 4.28Å; V587-F589 HydrophobicContact CG1-CD2 4.4Å; V587-F589 HydrophobicContact CG1-CE1 4.4Å; V587-F589 HydrophobicContact CG1-CE2 3.57Å; V587-F589 HydrophobicContact CG1-CZ 3.56Å
588	T	98.2	Very high	95.3	Very high	36 Å²	36	57.7 Å²	57.7	22%	0.221	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.6	-178.2	-51	0	0	0	0	110.2	L550 Q551 K574 H575	L550-T588 WeakPolarHBondContact O-CA 3.11Å; Q551-T588 PolarHBondContact NE2-OG1 2.85Å; K574-T588 WeakPolarHBondContact CA-O 3.35Å; K574-T588 WeakPolarHBondContact CB-O 3.44Å; K574-T588 PolarHBondContact N-O 2.83Å; H575-T588 PolarHBondContact N-O 2.73Å; H575-T588 VanDerWaalsContact N-O 3.15Å; H575-T588 PolarHBondContact O-N 2.68Å
589	F	98.4	Very high	95.4	Very high	5 Å²	5	56.7 Å²	56.7	2%	0.022	28%	0.281	C	S	.	.			trans	-104.4	173.4	178.5	-65.2	-88	0	0	0	111.9	L550 L552 F570 K572 A573 V587 E594 T595 A598	L550-F589 PolarHBondContact O-N 3.32Å; L552-F589 HydrophobicContact CD1-CE2 3.71Å; L552-F589 HydrophobicContact CD1-CZ 4.28Å; L552-F589 HydrophobicContact CG-CE2 3.9Å; F570-F589 HydrophobicContact CB-CZ 4.31Å; F570-F589 HydrophobicContact CD1-CZ 4.06Å; F570-F589 HydrophobicContact CG-CZ 4.45Å; K572-F589 HydrophobicContact CB-CD1 4.27Å; K572-F589 HydrophobicContact CB-CE1 4.14Å; K572-F589 WeakPolarHBondContact O-CD1 3.43Å; A573-F589 HydrophobicContact CB-CE1 4.29Å; V587-F589 HydrophobicContact CB-CE2 4.28Å; V587-F589 HydrophobicContact CG1-CD2 4.4Å; V587-F589 HydrophobicContact CG1-CE1 4.4Å; V587-F589 HydrophobicContact CG1-CE2 3.57Å; V587-F589 HydrophobicContact CG1-CZ 3.56Å; F589-E594 HydrophobicContact CB-CB 4.13Å; F589-E594 HydrophobicContact CD1-CB 3.91Å; F589-E594 HydrophobicContact CG-CB 4.25Å; F589-T595 WeakPolarHBondContact CB-OG1 3.43Å; F589-T595 HydrophobicContact CD2-CG2 4.07Å; F589-A598 HydrophobicContact CE1-CB 3.79Å; F589-A598 HydrophobicContact CE2-CB 3.92Å; F589-A598 HydrophobicContact CZ-CB 3.33Å
590	S	98	Very high	95.5	Very high	71 Å²	71	57.7 Å²	57.7	50%	0.497	29%	0.288	S	S	.	.	S	Bend	trans	-86.4	-31	175.9	-62.2	0	0	0	0	112.1	E594	S590-E594 WeakPolarHBondContact CB-OE2 3.35Å; S590-E594 PolarHBondContact N-OE2 2.73Å
591	T	97.8	Very high	95.9	Very high	52 Å²	52	55.7 Å²	55.7	32%	0.319	28%	0.278	S	S	.	.	S	Bend	trans	-131.4	155.3	-177	66.2	0	0	0	0	111.9	E593 E594 T595	T591-E593 VanDerWaalsContact C-N 3.27Å; T591-E593 PolarHBondContact O-N 2.78Å; T591-E594 PolarHBondContact N-OE2 2.69Å; T591-E594 WeakPolarHBondContact OG1-CB 3.48Å; T591-E594 WeakPolarHBondContact OG1-CG 3.4Å; T591-E594 PolarHBondContact OG1-N 2.81Å; T591-E594 PolarHBondContact OG1-OE2 3.13Å; T591-T595 PolarHBondContact O-N 2.85Å; T591-T595 PolarHBondContact O-OG1 2.93Å
592	P	95.9	Very high	96.3	Very high	70 Å²	70	44.9 Å²	44.9	46%	0.455	24%	0.238	S	C	.	.	H	α-helix	trans	-71.7	-23.9	176.8	30	-34.7	0	0	0	112.4	K549 L550 T595 R596	K549-P592 HydrophobicContact CB-CB 4.26Å; K549-P592 WeakPolarHBondContact O-CA 3.43Å; L550-P592 HydrophobicContact CD2-CB 4.27Å; P592-T595 WeakPolarHBondContact O-CB 3.47Å; P592-T595 PolarHBondContact O-N 2.96Å; P592-R596 WeakPolarHBondContact O-CB 3.39Å; P592-R596 PolarHBondContact O-N 3Å
593	E	96.6	Very high	96.5	Very high	158 Å²	158	46 Å²	46	74%	0.738	25%	0.245	S	C	*	.	H	α-helix	trans	-67.1	-47.9	175.8	-64.5	177.4	-174.2	0	0	111.1	T591 T595 R596 E597	T591-E593 VanDerWaalsContact C-N 3.27Å; T591-E593 PolarHBondContact O-N 2.78Å; E593-T595 VanDerWaalsContact C-N 3.27Å; E593-T595 PolarHBondContact O-N 3.17Å; E593-R596 PolarHBondContact O-N 3.45Å; E593-E597 PolarHBondContact O-N 3.08Å
594	E	98	Very high	96.5	Very high	51 Å²	51	50 Å²	50	24%	0.238	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-40.6	171.7	-70	161.3	150.3	0	0	111.6	K572 F589 S590 T591 R596 E597 A598	K572-E594 HydrophobicContact CD-CG 4.49Å; F589-E594 HydrophobicContact CB-CB 4.13Å; F589-E594 HydrophobicContact CD1-CB 3.91Å; F589-E594 HydrophobicContact CG-CB 4.25Å; S590-E594 WeakPolarHBondContact CB-OE2 3.35Å; S590-E594 PolarHBondContact N-OE2 2.73Å; T591-E594 PolarHBondContact N-OE2 2.69Å; T591-E594 WeakPolarHBondContact OG1-CB 3.48Å; T591-E594 WeakPolarHBondContact OG1-CG 3.4Å; T591-E594 PolarHBondContact OG1-N 2.81Å; T591-E594 PolarHBondContact OG1-OE2 3.13Å; E594-R596 VanDerWaalsContact C-N 3.33Å; E594-R596 PolarHBondContact O-N 2.73Å; E594-E597 PolarHBondContact O-N 2.87Å; E594-A598 VanDerWaalsContact O-CB 3.23Å; E594-A598 WeakPolarHBondContact O-CB 3.46Å; E594-A598 PolarHBondContact O-N 3.33Å
595	T	97.6	Very high	96.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-42.3	177.8	-50.7	0	0	0	0	111.1	K549 L552 F589 T591 P592 E593 F599 Y616	K549-T595 WeakPolarHBondContact O-CB 3.25Å; K549-T595 WeakPolarHBondContact O-CG2 3.44Å; K549-T595 PolarHBondContact O-OG1 3.02Å; L552-T595 HydrophobicContact CD2-CG2 3.59Å; L552-T595 HydrophobicContact CG-CG2 3.84Å; F589-T595 WeakPolarHBondContact CB-OG1 3.43Å; F589-T595 HydrophobicContact CD2-CG2 4.07Å; T591-T595 PolarHBondContact O-N 2.85Å; T591-T595 PolarHBondContact O-OG1 2.93Å; P592-T595 WeakPolarHBondContact O-CB 3.47Å; P592-T595 PolarHBondContact O-N 2.96Å; E593-T595 VanDerWaalsContact C-N 3.27Å; E593-T595 PolarHBondContact O-N 3.17Å; T595-F599 WeakPolarHBondContact O-CB 3.27Å; T595-F599 PolarHBondContact O-N 3.09Å; T595-Y616 HydrophobicContact CG2-CD1 4.04Å; T595-Y616 HydrophobicContact CG2-CE1 3.59Å
596	R	96.6	Very high	96.4	Very high	101 Å²	101	52 Å²	52	38%	0.381	30%	0.296	S	S	.	.	H	α-helix	trans	-72.1	-39.4	179.1	-171.1	177	-179.4	-177	-1.2	112.6	P592 E593 E594 F599 N600 Y616	P592-R596 WeakPolarHBondContact O-CB 3.39Å; P592-R596 PolarHBondContact O-N 3Å; E593-R596 PolarHBondContact O-N 3.45Å; E594-R596 VanDerWaalsContact C-N 3.33Å; E594-R596 PolarHBondContact O-N 2.73Å; R596-F599 PolarHBondContact O-N 2.62Å; R596-N600 WeakPolarHBondContact O-CB 3.28Å; R596-N600 PolarHBondContact O-N 3.24Å; R596-N600 PolarHBondContact O-OD1 2.67Å; R596-Y616 WeakPolarHBondContact CA-OH 3.34Å
597	E	97.2	Very high	96.3	Very high	105 Å²	105	51.6 Å²	51.6	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-46	173.2	-168.9	-167.5	155	0	0	111.1	K572 E593 E594 N600 S601	K572-E597 IonicContact NZ-OE1 3.94Å; K572-E597 PolarHBondContact NZ-OE1 3.44Å; K572-E597 IonicContact NZ-OE2 2.67Å; K572-E597 PolarHBondContact NZ-OE2 3.46Å; E593-E597 PolarHBondContact O-N 3.08Å; E594-E597 PolarHBondContact O-N 2.87Å; E597-N600 PolarHBondContact O-N 3.1Å; E597-S601 PolarHBondContact O-N 3.17Å; E597-S601 PolarHBondContact O-OG 3.08Å
598	A	97.8	Very high	96.1	Very high	9 Å²	9	56.2 Å²	56.2	7%	0.074	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-38.5	175.3	0	0	0	0	0	112.9	L552 F570 F589 E594 S601 G602	L552-A598 HydrophobicContact CD1-CB 3.82Å; F570-A598 HydrophobicContact CD1-CB 3.87Å; F570-A598 HydrophobicContact CE1-CB 4.06Å; F589-A598 HydrophobicContact CE1-CB 3.79Å; F589-A598 HydrophobicContact CE2-CB 3.92Å; F589-A598 HydrophobicContact CZ-CB 3.33Å; E594-A598 VanDerWaalsContact O-CB 3.23Å; E594-A598 WeakPolarHBondContact O-CB 3.46Å; E594-A598 PolarHBondContact O-N 3.33Å; A598-S601 PolarHBondContact O-OG 3.44Å; A598-S601 VanDerWaalsContact O-OG 3.1Å; A598-G602 PolarHBondContact O-N 3.1Å
599	F	97.7	Very high	95.8	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-50.8	173.1	176.6	-103.5	0	0	0	110.4	E451 E452 R455 L552 T595 R596 S601 G602 V614 Y616	E451-F599 HydrophobicContact CB-CE1 4.25Å; E451-F599 HydrophobicContact CB-CZ 4.42Å; E451-F599 HydrophobicContact CG-CE1 4.22Å; E451-F599 HydrophobicContact CG-CZ 4.5Å; E452-F599 HydrophobicContact CG-CE2 4.05Å; E452-F599 HydrophobicContact CG-CZ 3.94Å; R455-F599 VanDerWaalsContact CZ-CZ 3.47Å; R455-F599 VanDerWaalsContact CZ-O 3.22Å; R455-F599 PolarHBondContact NH1-O 3.27Å; R455-F599 PolarHBondContact NH2-O 3.43Å; L552-F599 HydrophobicContact CD1-CB 4.36Å; L552-F599 HydrophobicContact CD2-CB 4.1Å; L552-F599 HydrophobicContact CD2-CD2 4.28Å; T595-F599 WeakPolarHBondContact O-CB 3.27Å; T595-F599 PolarHBondContact O-N 3.09Å; R596-F599 PolarHBondContact O-N 2.62Å; F599-S601 PolarHBondContact O-N 3.15Å; F599-G602 PolarHBondContact O-N 3.27Å; F599-V614 WeakPolarHBondContact CE2-O 3.31Å; F599-Y616 HydrophobicContact CB-CE2 3.91Å; F599-Y616 AromaticContact CD1-CE2 3.75Å; F599-Y616 HydrophobicContact CD1-CE2 3.75Å; F599-Y616 AromaticContact CD2-CD2 3.67Å; F599-Y616 HydrophobicContact CD2-CD2 3.67Å; F599-Y616 AromaticContact CD2-CE2 3.45Å; F599-Y616 HydrophobicContact CD2-CE2 3.45Å; F599-Y616 VanDerWaalsContact CD2-CE2 3.45Å; F599-Y616 HydrophobicContact CE1-CE2 4.05Å; F599-Y616 AromaticContact CE2-CD2 3.77Å; F599-Y616 HydrophobicContact CE2-CD2 3.77Å; F599-Y616 AromaticContact CE2-CE2 3.79Å; F599-Y616 HydrophobicContact CE2-CE2 3.79Å; F599-Y616 HydrophobicContact CG-CD2 4.15Å; F599-Y616 AromaticContact CG-CE2 3.43Å; F599-Y616 HydrophobicContact CG-CE2 3.43Å; F599-Y616 VanDerWaalsContact CG-CE2 3.43Å; F599-Y616 HydrophobicContact CZ-CD2 4.3Å; F599-Y616 HydrophobicContact CZ-CE2 4.06Å
600	N	96.5	Very high	95.6	Very high	82 Å²	82	61.2 Å²	61.2	44%	0.439	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-45.9	179.7	-67.7	-3.5	0	0	0	112	R596 E597 G602	R596-N600 WeakPolarHBondContact O-CB 3.28Å; R596-N600 PolarHBondContact O-N 3.24Å; R596-N600 PolarHBondContact O-OD1 2.67Å; E597-N600 PolarHBondContact O-N 3.1Å; N600-G602 VanDerWaalsContact C-N 3.33Å; N600-G602 PolarHBondContact O-N 3.41Å
601	S	95.8	Very high	95.4	Very high	57 Å²	57	60.1 Å²	60.1	40%	0.399	34%	0.336	S	S	.	.	H	α-helix	trans	-68.4	-30	177.7	68	0	0	0	0	113.4	E597 A598 F599 S603	E597-S601 PolarHBondContact O-N 3.17Å; E597-S601 PolarHBondContact O-OG 3.08Å; A598-S601 PolarHBondContact O-OG 3.44Å; A598-S601 VanDerWaalsContact O-OG 3.1Å; F599-S601 PolarHBondContact O-N 3.15Å; S601-S603 PolarHBondContact O-N 3.07Å; S601-S603 VanDerWaalsContact O-N 3.14Å
602	G	95.3	Very high	95.3	Very high	1 Å²	1	58 Å²	58	1%	0.01	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-65.6	-9.4	179.5	0	0	0	0	0	116	A598 F599 N600 S604	A598-G602 PolarHBondContact O-N 3.1Å; F599-G602 PolarHBondContact O-N 3.27Å; N600-G602 VanDerWaalsContact C-N 3.33Å; N600-G602 PolarHBondContact O-N 3.41Å; G602-S604 VanDerWaalsContact C-N 3.32Å; G602-S604 PolarHBondContact O-N 2.83Å
603	S	91.9	Very high	95.4	Very high	59 Å²	59	55.4 Å²	55.4	41%	0.413	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-63.2	-32.5	-178.4	-178.8	0	0	0	0	114.1	S601	S601-S603 PolarHBondContact O-N 3.07Å; S601-S603 VanDerWaalsContact O-N 3.14Å
604	S	90.2	Very high	95.4	Very high	109 Å²	109	47.9 Å²	47.9	76%	0.762	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-117.2	19.3	-173.7	64.2	0	0	0	0	113.7	G602	G602-S604 VanDerWaalsContact C-N 3.32Å; G602-S604 PolarHBondContact O-N 2.83Å
605	M	94.7	Very high	95.4	Very high	34 Å²	34	46 Å²	46	17%	0.167	26%	0.262	C	S	.	.			trans	-83.9	145.4	-178.6	-69.1	-175.5	177.9	0	0	111.6	L569 F570 I612	L569-M605 HydrophobicContact CB-SD 4.1Å; L569-M605 HydrophobicContact CD1-SD 4.13Å; L569-M605 HydrophobicContact CD2-SD 4.2Å; L569-M605 HydrophobicContact CG-SD 4.39Å; F570-M605 HydrophobicContact CE1-CE 4.09Å; F570-M605 HydrophobicContact CE1-SD 4.07Å; F570-M605 HydrophobicContact CE2-SD 4.06Å; F570-M605 HydrophobicContact CZ-CE 4.17Å; F570-M605 HydrophobicContact CZ-SD 3.53Å; F570-M605 VanDerWaalsContact CZ-SD 3.53Å; M605-I612 HydrophobicContact CB-CD1 3.8Å; M605-I612 HydrophobicContact CB-CG1 3.8Å; M605-I612 WeakPolarHBondContact O-CG1 3.15Å; M605-I612 PolarHBondContact O-N 3.05Å
606	S	94.8	Very high	95.4	Very high	67 Å²	67	46.5 Å²	46.5	47%	0.469	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.1	171	53.3	0	0	0	0	109.9	V610	S606-V610 CarbonylContact C-O 3.53Å; S606-V610 WeakPolarHBondContact CA-O 3.49Å; S606-V610 VanDerWaalsContact CB-O 3.31Å; S606-V610 WeakPolarHBondContact CB-O 3.13Å
607	L	95.2	Very high	95.4	Very high	16 Å²	16	42 Å²	42	8%	0.084	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126	174.3	-75	176.8	0	0	0	107.9	L557 P558 V561 L569 D609 V610 I612	L557-L607 HydrophobicContact CD2-CD1 4.06Å; P558-L607 HydrophobicContact CG-CB 4.29Å; P558-L607 WeakPolarHBondContact CG-O 3.25Å; V561-L607 HydrophobicContact CG1-CD1 3.93Å; V561-L607 HydrophobicContact CG2-CB 4.36Å; V561-L607 HydrophobicContact CG2-CD1 3.84Å; L569-L607 HydrophobicContact CD1-CD1 4Å; L569-L607 HydrophobicContact CD1-CD2 3.68Å; L569-L607 HydrophobicContact CD1-CG 3.82Å; L569-L607 HydrophobicContact CG-CD2 4.16Å; L607-D609 VanDerWaalsContact C-N 3.28Å; L607-D609 PolarHBondContact O-N 3.37Å; L607-V610 PolarHBondContact N-O 2.72Å; L607-V610 WeakPolarHBondContact O-CB 3.16Å; L607-V610 PolarHBondContact O-N 2.86Å; L607-I612 HydrophobicContact CB-CG2 4.24Å; L607-I612 HydrophobicContact CD1-CG2 4.15Å; L607-I612 HydrophobicContact CG-CG2 4.23Å
608	N	93.3	Very high	95.2	Very high	97 Å²	97	39.2 Å²	39.2	52%	0.519	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	45.9	-177.6	-51.6	-34.5	0	0	0	112.7	P558 V610	P558-N608 HydrophobicContact CG-CB 4.46Å; N608-V610 PolarHBondContact O-N 2.74Å; N608-V610 VanDerWaalsContact O-N 3.11Å
609	D	93.1	Very high	94.6	Very high	140 Å²	140	40.6 Å²	40.6	75%	0.749	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	7.5	-174.4	-52.7	-43	0	0	0	116	L607	L607-D609 VanDerWaalsContact C-N 3.28Å; L607-D609 PolarHBondContact O-N 3.37Å
610	V	93.7	Very high	93.7	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.6	175.6	-175.6	0	0	0	0	109.9	L486 E487 I502 P558 S606 L607 N608 I612	L486-V610 HydrophobicContact CB-CG2 4.44Å; E487-V610 HydrophobicContact CB-CG2 4.06Å; I502-V610 HydrophobicContact CD1-CG1 4.08Å; I502-V610 HydrophobicContact CG2-CG1 4.4Å; P558-V610 HydrophobicContact CG-CB 3.94Å; P558-V610 HydrophobicContact CG-CG1 4.48Å; P558-V610 HydrophobicContact CG-CG2 4.07Å; S606-V610 CarbonylContact C-O 3.53Å; S606-V610 WeakPolarHBondContact CA-O 3.49Å; S606-V610 VanDerWaalsContact CB-O 3.31Å; S606-V610 WeakPolarHBondContact CB-O 3.13Å; L607-V610 PolarHBondContact N-O 2.72Å; L607-V610 WeakPolarHBondContact O-CB 3.16Å; L607-V610 PolarHBondContact O-N 2.86Å; N608-V610 PolarHBondContact O-N 2.74Å; N608-V610 VanDerWaalsContact O-N 3.11Å; V610-I612 PolarHBondContact O-N 3.47Å
611	P	94.3	Very high	92.6	Very high	48 Å²	48	53.4 Å²	53.4	31%	0.312	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	120.4	178.1	28	-33.7	0	0	0	111	I502	I502-P611 HydrophobicContact CG2-CG 4.3Å
612	I	95.9	Very high	90.6	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.036	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-86.6	151.3	175.9	60.3	168	0	0	0	110.2	I554 L557 L569 M605 L607 V610 V614	I554-I612 HydrophobicContact CG2-CB 4.17Å; I554-I612 HydrophobicContact CG2-CD1 4.01Å; L557-I612 HydrophobicContact CD2-CG2 4.28Å; L569-I612 HydrophobicContact CD1-CD1 3.7Å; M605-I612 HydrophobicContact CB-CD1 3.8Å; M605-I612 HydrophobicContact CB-CG1 3.8Å; M605-I612 WeakPolarHBondContact O-CG1 3.15Å; M605-I612 PolarHBondContact O-N 3.05Å; L607-I612 HydrophobicContact CB-CG2 4.24Å; L607-I612 HydrophobicContact CD1-CG2 4.15Å; L607-I612 HydrophobicContact CG-CG2 4.23Å; V610-I612 PolarHBondContact O-N 3.47Å; I612-V614 HydrophobicContact CD1-CG2 4.38Å
613	T	96.4	Very high	88.5	Confident	15 Å²	15	62.7 Å²	62.7	9%	0.092	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.1	175.3	-54.4	0	0	0	0	110.6	R459 I554 S555 L615	R459-T613 WeakPolarHBondContact CD-OG1 3.3Å; R459-T613 VanDerWaalsContact CG-OG1 3.29Å; R459-T613 WeakPolarHBondContact CG-OG1 3.42Å; I554-T613 WeakPolarHBondContact CA-O 3.35Å; S555-T613 PolarHBondContact N-O 3.44Å; S555-T613 PolarHBondContact O-N 3.46Å; T613-L615 HydrophobicContact CG2-CD2 4.03Å; T613-L615 HydrophobicContact CG2-CG 4.14Å
614	V	97.7	Very high	86.6	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.7	179.6	-174.1	0	0	0	0	109.7	R455 L552 I554 F570 F599 I612	R455-V614 PolarHBondContact NH1-O 3.1Å; L552-V614 HydrophobicContact CB-CG1 4.22Å; L552-V614 HydrophobicContact CD1-CG1 3.74Å; L552-V614 HydrophobicContact CG-CG1 4.41Å; I554-V614 HydrophobicContact CG1-CG2 4.38Å; F570-V614 HydrophobicContact CZ-CG2 4.06Å; F599-V614 WeakPolarHBondContact CE2-O 3.31Å; I612-V614 HydrophobicContact CD1-CG2 4.38Å
615	L	97.4	Very high	84.8	Confident	11 Å²	11	70 Å²	70	6%	0.058	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	169.1	177.3	-54.8	174.5	0	0	0	109	E452 R455 L456 L552 F553 T613	E452-L615 HydrophobicContact CB-CD2 4.35Å; E452-L615 HydrophobicContact CG-CD2 4.37Å; R455-L615 HydrophobicContact CB-CD2 4.46Å; L456-L615 HydrophobicContact CD1-CD1 4.19Å; L456-L615 HydrophobicContact CD1-CD2 4.26Å; L456-L615 HydrophobicContact CD2-CD1 3.9Å; L456-L615 HydrophobicContact CD2-CD2 4.49Å; L456-L615 HydrophobicContact CG-CD1 4.19Å; L456-L615 HydrophobicContact CG-CD2 4.02Å; L552-L615 CarbonylContact C-O 3.56Å; L552-L615 VanDerWaalsContact CA-O 3.28Å; L552-L615 WeakPolarHBondContact CA-O 3.36Å; L552-L615 WeakPolarHBondContact CB-O 3.39Å; L552-L615 WeakPolarHBondContact CD2-O 3.33Å; F553-L615 HydrophobicContact CD1-CB 4.48Å; F553-L615 HydrophobicContact CD1-CD1 4.33Å; F553-L615 PolarHBondContact N-O 3.45Å; F553-L615 PolarHBondContact O-N 3.5Å; T613-L615 HydrophobicContact CG2-CD2 4.03Å; T613-L615 HydrophobicContact CG2-CG 4.14Å
616	Y	97.4	Very high	82.7	Confident	11 Å²	11	73.7 Å²	73.7	4%	0.043	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	147.2	163.6	-71.1	-102.8	0	0	0	110.9	V448 E452 I547 L552 T595 R596 F599	V448-Y616 HydrophobicContact CB-CE2 4.44Å; V448-Y616 HydrophobicContact CG1-CD2 3.52Å; V448-Y616 HydrophobicContact CG1-CE2 3.27Å; V448-Y616 HydrophobicContact CG1-CG 4.45Å; V448-Y616 HydrophobicContact CG2-CE2 4.31Å; E452-Y616 WeakPolarHBondContact OE1-CA 3.21Å; E452-Y616 WeakPolarHBondContact OE1-CB 3.09Å; E452-Y616 PolarHBondContact OE1-N 3Å; I547-Y616 HydrophobicContact CG2-CD1 3.77Å; I547-Y616 HydrophobicContact CG2-CG 3.75Å; L552-Y616 HydrophobicContact CD2-CD1 3.84Å; L552-Y616 HydrophobicContact CD2-CD2 4.23Å; L552-Y616 HydrophobicContact CD2-CE1 4.07Å; L552-Y616 HydrophobicContact CD2-CE2 4.41Å; L552-Y616 HydrophobicContact CD2-CG 3.94Å; T595-Y616 HydrophobicContact CG2-CD1 4.04Å; T595-Y616 HydrophobicContact CG2-CE1 3.59Å; R596-Y616 WeakPolarHBondContact CA-OH 3.34Å; F599-Y616 HydrophobicContact CB-CE2 3.91Å; F599-Y616 AromaticContact CD1-CE2 3.75Å; F599-Y616 HydrophobicContact CD1-CE2 3.75Å; F599-Y616 AromaticContact CD2-CD2 3.67Å; F599-Y616 HydrophobicContact CD2-CD2 3.67Å; F599-Y616 AromaticContact CD2-CE2 3.45Å; F599-Y616 HydrophobicContact CD2-CE2 3.45Å; F599-Y616 VanDerWaalsContact CD2-CE2 3.45Å; F599-Y616 HydrophobicContact CE1-CE2 4.05Å; F599-Y616 AromaticContact CE2-CD2 3.77Å; F599-Y616 HydrophobicContact CE2-CD2 3.77Å; F599-Y616 AromaticContact CE2-CE2 3.79Å; F599-Y616 HydrophobicContact CE2-CE2 3.79Å; F599-Y616 HydrophobicContact CG-CD2 4.15Å; F599-Y616 AromaticContact CG-CE2 3.43Å; F599-Y616 HydrophobicContact CG-CE2 3.43Å; F599-Y616 VanDerWaalsContact CG-CE2 3.43Å; F599-Y616 HydrophobicContact CZ-CD2 4.3Å; F599-Y616 HydrophobicContact CZ-CE2 4.06Å
617	S	96.4	Very high	80.7	Confident	7 Å²	7	74.8 Å²	74.8	5%	0.049	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	148.5	171.9	-176.8	0	0	0	0	110.3	Y548 Q551	Y548-S617 PolarHBondContact N-O 3.31Å; Q551-S617 VanDerWaalsContact O-CB 3.25Å; Q551-S617 WeakPolarHBondContact O-CB 3.48Å; Q551-S617 PolarHBondContact O-N 3.23Å; Q551-S617 VanDerWaalsContact OE1-CB 3.23Å; Q551-S617 PolarHBondContact OE1-OG 3.2Å
618	R	93.1	Very high	78.9	Confident	46 Å²	46	76.8 Å²	76.8	17%	0.174	39%	0.389	C	S	.	.			trans	-116.2	146	178.8	-72.3	135	178.2	-74.3	-14.5	108.9	E452 S544 L546 L620	E452-R618 IonicContact OE2-CZ 2.98Å; E452-R618 IonicContact OE2-NE 3.73Å; E452-R618 IonicContact OE2-NH2 2.67Å; E452-R618 PolarHBondContact OE2-NH2 3.21Å; S544-R618 VanDerWaalsContact N-NH1 3.19Å; S544-R618 PolarHBondContact O-NH1 2.84Å; S544-R618 PolarHBondContact OG-NH1 2.99Å; L546-R618 WeakPolarHBondContact O-CG 3.33Å; R618-L620 PolarHBondContact O-N 2.87Å
619	P	85.3	Confident	77.1	Confident	38 Å²	38	75.4 Å²	75.4	25%	0.247	38%	0.384	C	S	.	.			trans	-57.1	110.5	167.2	24.6	-31.9	0	0	0	108.6	L546 Y548 K621	L546-P619 HydrophobicContact CB-CG 3.81Å; L546-P619 HydrophobicContact CD1-CG 4.36Å; L546-P619 WeakPolarHBondContact O-CD 3.35Å; Y548-P619 VanDerWaalsContact CE2-CA 3.4Å; Y548-P619 HydrophobicContact CE2-CB 3.95Å; P619-K621 PolarHBondContact O-N 3.46Å
620	L	80.2	Confident	75.4	Confident	149 Å²	149	76.4 Å²	76.4	78%	0.78	38%	0.382	S	S	*	.			trans	-50.5	116.1	158.6	-69.3	175.1	0	0	0	105.4	R618 A622	R618-L620 PolarHBondContact O-N 2.87Å; L620-A622 VanDerWaalsContact C-N 3.33Å; L620-A622 VanDerWaalsContact O-CA 3.31Å; L620-A622 WeakPolarHBondContact O-CA 3.47Å; L620-A622 PolarHBondContact O-N 3.28Å
621	K	72.1	Confident	73.8	Confident	203 Å²	203	82 Å²	82	88%	0.883	41%	0.408	S	S	*	.			trans	-51.8	101.7	179.7	-75.3	-175	179.2	-179.4	0	107.3	P619 R623	P619-K621 PolarHBondContact O-N 3.46Å; K621-R623 PolarHBondContact O-N 2.82Å
622	A	53.3	Low	72.1	Confident	55 Å²	55	84 Å²	84	46%	0.455	42%	0.419	S	S	.	.			trans	-67.9	120.8	-158	0	0	0	0	0	108.7	L620 E624	L620-A622 VanDerWaalsContact C-N 3.33Å; L620-A622 VanDerWaalsContact O-CA 3.31Å; L620-A622 WeakPolarHBondContact O-CA 3.47Å; L620-A622 PolarHBondContact O-N 3.28Å; A622-E624 HydrophobicContact CB-CB 3.94Å; A622-E624 HydrophobicContact CB-CG 3.86Å; A622-E624 VanDerWaalsContact CB-OE2 3.3Å; A622-E624 WeakPolarHBondContact CB-OE2 3.48Å; A622-E624 PolarHBondContact O-N 3.19Å
623	R	51.6	Low	70.4	Confident	197 Å²	197	91.4 Å²	91.4	74%	0.743	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	11.3	165.9	-100.1	-172.9	172.3	-170.2	-3.1	112.2	K621 K625 Q626	K621-R623 PolarHBondContact O-N 2.82Å; R623-K625 PolarHBondContact O-N 3.14Å; R623-K625 VanDerWaalsContact O-N 3.14Å; R623-Q626 WeakPolarHBondContact O-CB 3.5Å; R623-Q626 PolarHBondContact O-N 3.09Å
624	E	53.4	Low	68.7	Low	136 Å²	136	97.6 Å²	97.6	64%	0.636	48%	0.479	S	S	*	.	H	α-helix	trans	-51.6	-28.2	169.6	-78.7	-178.4	124.7	0	0	113.4	A622 Q626 T627 A628	A622-E624 HydrophobicContact CB-CB 3.94Å; A622-E624 HydrophobicContact CB-CG 3.86Å; A622-E624 VanDerWaalsContact CB-OE2 3.3Å; A622-E624 WeakPolarHBondContact CB-OE2 3.48Å; A622-E624 PolarHBondContact O-N 3.19Å; E624-Q626 PolarHBondContact O-N 3.06Å; E624-T627 PolarHBondContact O-N 3.49Å; E624-T627 PolarHBondContact O-OG1 3.1Å; E624-A628 WeakPolarHBondContact O-CB 3.39Å; E624-A628 PolarHBondContact O-N 2.64Å
625	K	50.8	Low	67	Low	185 Å²	185	104.5 Å²	104.5	80%	0.804	51%	0.509	S	S	*	.	H	α-helix	trans	-66	-10.8	170.1	-73.8	-165.5	175.7	-171.8	0	114.5	R623 T629	R623-K625 PolarHBondContact O-N 3.14Å; R623-K625 VanDerWaalsContact O-N 3.14Å; K625-T629 WeakPolarHBondContact O-CB 3.42Å; K625-T629 PolarHBondContact O-OG1 3.1Å
626	Q	52.6	Low	65.2	Low	113 Å²	113	106.7 Å²	106.7	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-97	-31.1	170.1	-72.6	-174.5	-26.9	0	0	113.3	R623 E624 K630	R623-Q626 WeakPolarHBondContact O-CB 3.5Å; R623-Q626 PolarHBondContact O-N 3.09Å; E624-Q626 PolarHBondContact O-N 3.06Å; Q626-K630 WeakPolarHBondContact O-CG 3.49Å
627	T	51.5	Low	63.5	Low	90 Å²	90	108.8 Å²	108.8	55%	0.552	55%	0.549	S	S	*	.	H	α-helix	trans	-86.4	-37.8	179	53.4	0	0	0	0	113	E624 Q631	E624-T627 PolarHBondContact O-N 3.49Å; E624-T627 PolarHBondContact O-OG1 3.1Å; T627-Q631 PolarHBondContact O-N 3.49Å
628	A	56.5	Low	61.9	Low	58 Å²	58	116 Å²	116	48%	0.479	58%	0.579	S	S	.	*	H	α-helix	trans	-63.6	-49	173.4	0	0	0	0	0	111.1	E624 K630 Q631 T632	E624-A628 WeakPolarHBondContact O-CB 3.39Å; E624-A628 PolarHBondContact O-N 2.64Å; A628-K630 PolarHBondContact O-N 3.38Å; A628-Q631 WeakPolarHBondContact O-CA 3.21Å; A628-Q631 PolarHBondContact O-N 2.97Å; A628-T632 PolarHBondContact O-N 3.43Å; A628-T632 PolarHBondContact O-OG1 3.2Å; A628-T632 VanDerWaalsContact O-OG1 3.05Å
629	T	55.6	Low	60.4	Low	67 Å²	67	121.5 Å²	121.5	41%	0.411	60%	0.604	S	S	.	*	H	α-helix	trans	-67.1	-32.8	-174.2	-43.8	0	0	0	0	113.2	K625 Q631 T632 K633	K625-T629 WeakPolarHBondContact O-CB 3.42Å; K625-T629 PolarHBondContact O-OG1 3.1Å; T629-Q631 VanDerWaalsContact C-N 3.31Å; T629-Q631 PolarHBondContact O-N 3.47Å; T629-T632 WeakPolarHBondContact CA-OG1 3.34Å; T629-K633 WeakPolarHBondContact O-CB 3.49Å; T629-K633 PolarHBondContact O-N 3.44Å
630	K	58.2	Low	59.1	Low	161 Å²	161	127 Å²	127	70%	0.7	62%	0.624	S	S	*	*	H	α-helix	trans	-65.2	-33	170.2	-80.5	-176.9	175.2	-179.4	0	112	Q626 A628 Q634	Q626-K630 WeakPolarHBondContact O-CG 3.49Å; A628-K630 PolarHBondContact O-N 3.38Å; K630-Q634 WeakPolarHBondContact O-CG 3.47Å; K630-Q634 PolarHBondContact O-N 3.4Å
631	Q	59.5	Low	58.2	Low	124 Å²	124	125.4 Å²	125.4	58%	0.579	62%	0.615	S	S	*	*	H	α-helix	trans	-80.3	-30.9	176.9	-65.7	-168.4	21.6	0	0	113.9	T627 A628 T629 K635	T627-Q631 PolarHBondContact O-N 3.49Å; A628-Q631 WeakPolarHBondContact O-CA 3.21Å; A628-Q631 PolarHBondContact O-N 2.97Å; T629-Q631 VanDerWaalsContact C-N 3.31Å; T629-Q631 PolarHBondContact O-N 3.47Å; Q631-K635 WeakPolarHBondContact O-CG 3.28Å; Q631-K635 PolarHBondContact O-N 3.4Å
632	T	59.2	Low	57.7	Low	90 Å²	90	121.9 Å²	121.9	55%	0.552	61%	0.606	S	S	*	*	H	α-helix	trans	-74.1	-44.1	172.2	22.9	0	0	0	0	112.6	A628 T629 Q634 K635 A636	A628-T632 PolarHBondContact O-N 3.43Å; A628-T632 PolarHBondContact O-OG1 3.2Å; A628-T632 VanDerWaalsContact O-OG1 3.05Å; T629-T632 WeakPolarHBondContact CA-OG1 3.34Å; T632-Q634 VanDerWaalsContact C-N 3.33Å; T632-Q634 PolarHBondContact O-N 3.39Å; T632-K635 PolarHBondContact O-N 2.99Å; T632-K635 VanDerWaalsContact O-N 3.14Å; T632-A636 WeakPolarHBondContact O-CB 3.47Å; T632-A636 PolarHBondContact O-N 3.19Å
633	K	59.7	Low	58.1	Low	163 Å²	163	127.2 Å²	127.2	71%	0.709	62%	0.619	S	S	*	*	H	α-helix	trans	-59	-40.8	176.3	-84.3	-170.7	172.4	-176.4	0	112.1	T629 K635 A636 A637	T629-K633 WeakPolarHBondContact O-CB 3.49Å; T629-K633 PolarHBondContact O-N 3.44Å; K633-K635 PolarHBondContact O-N 3.25Å; K633-A636 PolarHBondContact O-N 3.05Å; K633-A637 PolarHBondContact O-N 2.98Å
634	Q	60.9	Low	58.5	Low	144 Å²	144	123.4 Å²	123.4	67%	0.673	61%	0.613	S	S	*	*	H	α-helix	trans	-68.7	-30.3	176.4	-72	-174.7	4.5	0	0	114.3	K630 T632	K630-Q634 WeakPolarHBondContact O-CG 3.47Å; K630-Q634 PolarHBondContact O-N 3.4Å; T632-Q634 VanDerWaalsContact C-N 3.33Å; T632-Q634 PolarHBondContact O-N 3.39Å
635	K	61.8	Low	58.7	Low	146 Å²	146	123.6 Å²	123.6	64%	0.635	62%	0.618	S	S	*	*	H	α-helix	trans	-80.8	-26.6	175.1	-75.8	173.9	-179.9	166.2	0	113.1	Q631 T632 K633	Q631-K635 WeakPolarHBondContact O-CG 3.28Å; Q631-K635 PolarHBondContact O-N 3.4Å; T632-K635 PolarHBondContact O-N 2.99Å; T632-K635 VanDerWaalsContact O-N 3.14Å; K633-K635 PolarHBondContact O-N 3.25Å
636	A	60.3	Low	59.4	Low	57 Å²	57	122.9 Å²	122.9	47%	0.471	62%	0.615	S	S	.	*	H	α-helix	trans	-72.4	-45	172.1	0	0	0	0	0	111.8	T632 K633 K638 K639 K640	T632-A636 WeakPolarHBondContact O-CB 3.47Å; T632-A636 PolarHBondContact O-N 3.19Å; K633-A636 PolarHBondContact O-N 3.05Å; A636-K638 PolarHBondContact O-N 3.29Å; A636-K639 PolarHBondContact O-N 3.49Å; A636-K639 VanDerWaalsContact O-N 3.11Å; A636-K640 PolarHBondContact O-N 3.32Å
637	A	60.8	Low	59.6	Low	56 Å²	56	120.7 Å²	120.7	46%	0.463	61%	0.612	S	S	.	*	H	α-helix	trans	-58.3	-45.3	179.2	0	0	0	0	0	112.7	K633 K639 K640	K633-A637 PolarHBondContact O-N 2.98Å; A637-K639 VanDerWaalsContact C-N 3.29Å; A637-K639 PolarHBondContact O-N 3.45Å; A637-K640 PolarHBondContact O-N 3.11Å
638	K	62.8	Low	59.9	Low	159 Å²	159	121.2 Å²	121.2	69%	0.691	62%	0.615	S	S	*	*	H	α-helix	trans	-65.1	-27.7	177	-76.1	-176	174.2	178.3	0	113.8	A636	A636-K638 PolarHBondContact O-N 3.29Å
639	K	61.6	Low	59.8	Low	161 Å²	161	129.6 Å²	129.6	70%	0.7	63%	0.634	S	S	*	*	H	α-helix	trans	-79.9	-21	177.3	-82.3	-176.1	174.9	-179.7	0	114.7	A636 A637	A636-K639 PolarHBondContact O-N 3.49Å; A636-K639 VanDerWaalsContact O-N 3.11Å; A637-K639 VanDerWaalsContact C-N 3.29Å; A637-K639 PolarHBondContact O-N 3.45Å
640	K	59.6	Low	59.9	Low	154 Å²	154	134.4 Å²	134.4	67%	0.67	65%	0.652	S	S	*	*	H	α-helix	trans	-76.7	-32	174	-71.7	-168.1	175.8	-173	0	111.6	A636 A637 L644	A636-K640 PolarHBondContact O-N 3.32Å; A637-K640 PolarHBondContact O-N 3.11Å; K640-L644 PolarHBondContact O-N 3.14Å
641	I	61.5	Low	59.4	Low	115 Å²	115	132.3 Å²	132.3	59%	0.59	65%	0.653	S	S	*	*	H	α-helix	trans	-67.3	-50.9	178.2	-61.8	169.7	0	0	0	111.3	K643 L644	I641-K643 PolarHBondContact O-N 3.35Å; I641-K643 VanDerWaalsContact O-N 3.1Å; I641-L644 PolarHBondContact O-N 3.47Å
642	D	60.3	Low	59	Low	128 Å²	128	135.2 Å²	135.2	68%	0.684	67%	0.667	S	S	*	*	H	α-helix	trans	-66.5	-12	-180	-75.7	-19.3	0	0	0	114.9
643	K	62.5	Low	58.4	Low	168 Å²	168	136 Å²	136	73%	0.73	68%	0.676	S	S	*	*	H	α-helix	trans	-92.2	-26.9	176.3	-90	-173.2	172.1	-174.3	0	113.6	I641	I641-K643 PolarHBondContact O-N 3.35Å; I641-K643 VanDerWaalsContact O-N 3.1Å
644	L	58.8	Low	58	Low	117 Å²	117	132.5 Å²	132.5	61%	0.613	68%	0.677	S	S	*	*	H	α-helix	trans	-79.2	-36.4	-179.2	-100.2	153.6	0	0	0	112.6	K640 I641 K646 S647	K640-L644 PolarHBondContact O-N 3.14Å; I641-L644 PolarHBondContact O-N 3.47Å; L644-K646 PolarHBondContact O-N 3.05Å; L644-S647 PolarHBondContact O-N 3.4Å; L644-S647 PolarHBondContact O-OG 3.35Å
645	D	58.7	Low	57.2	Low	140 Å²	140	132 Å²	132	75%	0.749	68%	0.684	S	S	*	*	H	α-helix	trans	-67.3	-6.3	174.2	-107	-28	0	0	0	114
646	K	64.3	Low	56.5	Low	169 Å²	169	130.5 Å²	130.5	74%	0.735	69%	0.692	S	S	*	*	H	α-helix	trans	-105.9	-18.5	-176.3	-140.9	163.4	-170.7	169.2	0	114.6	L644	L644-K646 PolarHBondContact O-N 3.05Å
647	S	58.5	Low	55.9	Low	68 Å²	68	133.7 Å²	133.7	48%	0.476	71%	0.705	S	S	.	*	H	α-helix	trans	-94.2	-19.7	177.4	56.3	0	0	0	0	113.8	L644 R649	L644-S647 PolarHBondContact O-N 3.4Å; L644-S647 PolarHBondContact O-OG 3.35Å; S647-R649 VanDerWaalsContact C-N 3.32Å; S647-R649 PolarHBondContact O-N 3.04Å
648	V	56.7	Low	55.4	Low	100 Å²	100	140.1 Å²	140.1	61%	0.606	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-11.6	-178.1	-180	0	0	0	0	112.9
649	R	55.4	Low	54.7	Low	235 Å²	235	137.7 Å²	137.7	89%	0.887	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	1.6	-176.2	-153.2	172.3	-179.5	174.5	1.3	115.2	S647	S647-R649 VanDerWaalsContact C-N 3.32Å; S647-R649 PolarHBondContact O-N 3.04Å
650	E	56.2	Low	53.9	Low	168 Å²	168	134.3 Å²	134.3	79%	0.785	72%	0.72	S	S	*	*	S	Bend	trans	-116.2	0	-174.7	-159.4	160.7	-165.2	0	0	113.8
651	T	49.1	Very low	53.5	Low	117 Å²	117	135.5 Å²	135.5	72%	0.718	73%	0.728	S	S	*	*			trans	-105.3	23.9	-174.7	44.9	0	0	0	0	114.7
652	Q	49.9	Very low	52.7	Low	185 Å²	185	137.9 Å²	137.9	86%	0.864	73%	0.734	S	S	*	*			trans	-120.6	58.3	176.7	-68.1	-168	-0.8	0	0	113.9
653	S	47.2	Very low	52	Low	107 Å²	107	138.9 Å²	138.9	75%	0.748	74%	0.735	S	S	*	*	S	Bend	trans	-160.5	129.9	161	56.8	0	0	0	0	113.6
654	A	50.6	Low	51.3	Low	89 Å²	89	139 Å²	139	74%	0.736	74%	0.738	S	S	*	*			trans	58.3	94	166.4	0	0	0	0	0	117.2
655	T	44.8	Very low	50.5	Low	132 Å²	132	139.8 Å²	139.8	81%	0.81	75%	0.748	S	S	*	*				65.9	130.7	52	75.4	0	0	0	0	118
656	S	46.8	Very low	49.8	Very low	115 Å²	115	138.4 Å²	138.4	80%	0.804	75%	0.746	S	S	*	*			trans	80.8	137.9	165.1	91.1	0	0	0	0	115.7
657	V	48	Very low	48.6	Very low	125 Å²	125	139 Å²	139	76%	0.758	75%	0.749	S	S	*	*			cis	-143.7	125.3	3.7	176.9	0	0	0	0	106.5
658	K	49.5	Very low	47.7	Very low	190 Å²	190	144.4 Å²	144.4	83%	0.826	76%	0.764	S	S	*	*				63.4	151.9	83.8	-126.8	-158.6	176.6	179.2	0	115
659	P	48	Very low	47.2	Very low	108 Å²	108	146.1 Å²	146.1	70%	0.701	77%	0.768	S	S	*	*				-131.9	-178.3	-76.6	43.1	-30.1	0	0	0	113.1
660	S	45	Very low	46.6	Very low	91 Å²	91	141.4 Å²	141.4	64%	0.636	76%	0.76	S	S	*	*				162.9	115.7	121.9	-177.9	0	0	0	0	114.2
661	Q	51.9	Low	45.8	Very low	179 Å²	179	141.8 Å²	141.8	84%	0.836	76%	0.76	S	S	*	*			trans	51.1	142	136.1	-52.4	173.8	-3.9	0	0	118.9
662	K	43.7	Very low	45.5	Very low	164 Å²	164	145 Å²	145	71%	0.713	76%	0.764	S	S	*	*			cis	-164.2	130.8	34.9	-158.7	159.1	175.7	-178	0	107.1
663	E	46.3	Very low	45.1	Very low	150 Å²	150	140.1 Å²	140.1	70%	0.701	76%	0.755	S	S	*	*				62.3	133.9	102.1	-113.7	178.7	-156	0	0	112.7
664	E	48.8	Very low	44.6	Very low	171 Å²	171	140.5 Å²	140.5	80%	0.799	75%	0.753	S	S	*	*			cis	-151.2	179.8	26.4	-88.9	-172.4	140.8	0	0	115
665	T	40.5	Very low	44.1	Very low	133 Å²	133	145 Å²	145	82%	0.816	76%	0.755	S	S	*	*			trans	-83.3	172.7	-167.8	35.7	0	0	0	0	118.4
666	P	45.3	Very low	44.2	Very low	110 Å²	110	143.3 Å²	143.3	71%	0.714	75%	0.749	S	S	*	*			trans	-98.3	170.3	-168.9	39.5	-37.5	0	0	0	114.9
667	K	38.9	Very low	44.4	Very low	182 Å²	182	143.1 Å²	143.1	79%	0.791	75%	0.746	S	S	*	*			trans	171.7	142.2	138.6	-99.1	155.7	-174.1	166.8	0	116.2
668	K	39.2	Very low	44.4	Very low	181 Å²	181	142.1 Å²	142.1	79%	0.787	74%	0.744	S	S	*	*			trans	72.6	163.3	139.8	-71.2	175.5	174.5	-173	0	121.2
669	I	46.5	Very low	44.4	Very low	137 Å²	137	142.3 Å²	142.3	70%	0.703	75%	0.745	S	S	*	*			trans	103.3	96.7	150.6	-68.7	132.3	0	0	0	117.9
670	N	42.9	Very low	44.2	Very low	135 Å²	135	143 Å²	143	72%	0.722	75%	0.747	S	S	*	*				66.5	163.7	129.1	-70.3	-15.8	0	0	0	121.4
671	K	39.5	Very low	44.2	Very low	177 Å²	177	143.3 Å²	143.3	77%	0.77	75%	0.749	S	S	*	*			cis	176.2	151.3	-28.7	-159.2	177	-173	164.1	0	106.6
672	K	41.6	Very low	44	Very low	185 Å²	185	140.7 Å²	140.7	80%	0.804	75%	0.745	S	S	*	*			trans	79.6	109.6	145	-153.5	169.3	-176.5	-178.8	0	120.8
673	A	42.5	Very low	43.9	Very low	82 Å²	82	137.6 Å²	137.6	68%	0.678	74%	0.744	S	S	*	*			trans	70.3	166	137.4	0	0	0	0	0	118.1
674	T	36.6	Very low	43.7	Very low	114 Å²	114	139.4 Å²	139.4	70%	0.699	75%	0.75	S	S	*	*			cis	-163.9	148.1	26	-30.4	0	0	0	0	112.5
675	K	40.8	Very low	43.7	Very low	183 Å²	183	135.3 Å²	135.3	80%	0.796	75%	0.746	S	S	*	*			trans	47	119.2	146.6	-78.5	171.9	-177	-178.7	0	120.3
676	S	45.2	Very low	44	Very low	97 Å²	97	135.3 Å²	135.3	68%	0.678	74%	0.741	S	S	*	*				61	162.6	75.7	85.5	0	0	0	0	115.6
677	P	52.5	Low	44.2	Very low	112 Å²	112	138.1 Å²	138.1	73%	0.727	75%	0.746	S	S	*	*			cis	-140.6	-176.7	-19.1	37.5	-17.8	0	0	0	114.6
678	S	47.6	Very low	44.6	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	75%	0.746	S	S	*	*			trans	164.9	125.1	132.2	48.6	0	0	0	0	112.9
679	K	49.4	Very low	45	Very low	194 Å²	194	133.8 Å²	133.8	84%	0.843	74%	0.739	S	S	*	*				71.7	140.6	102.8	-61.3	-177.8	177.5	-176.9	0	114.5
680	T	43.3	Very low	45.3	Very low	123 Å²	123	133.5 Å²	133.5	76%	0.755	74%	0.739	S	S	*	*			cis	-161.6	142.3	43.3	-14	0	0	0	0	113.6
681	S	45.1	Very low	45.4	Very low	97 Å²	97	135.2 Å²	135.2	68%	0.678	74%	0.743	S	S	*	*			trans	22.2	144.3	138.8	62.7	0	0	0	0	122.2
682	V	47.3	Very low	46	Very low	124 Å²	124	134.2 Å²	134.2	75%	0.752	75%	0.745	S	S	*	*				-160.5	134	54.6	-92.9	0	0	0	0	109.7
683	S	42.1	Very low	46.4	Very low	98 Å²	98	132.2 Å²	132.2	69%	0.685	74%	0.744	S	S	*	*				60.3	139.5	78.1	79.2	0	0	0	0	116.2
684	F	43	Very low	46.6	Very low	188 Å²	188	134.6 Å²	134.6	83%	0.825	75%	0.745	S	S	*	*			cis	-171.5	165.9	36.5	-161.5	-94.1	0	0	0	113.4
685	A	47.6	Very low	47	Very low	86 Å²	86	135.7 Å²	135.7	71%	0.711	75%	0.747	S	S	*	*			trans	70.8	153.5	162.5	0	0	0	0	0	122.3
686	D	46.5	Very low	47	Very low	132 Å²	132	130.6 Å²	130.6	71%	0.706	75%	0.746	S	S	*	*			cis	-173.2	175.5	-29.3	-153.7	-26.1	0	0	0	109.4
687	M	50.2	Low	47.2	Very low	169 Å²	169	132.6 Å²	132.6	83%	0.833	75%	0.754	S	S	*	*			trans	81.7	117.1	178.3	-48.6	-178.2	81.7	0	0	115.1
688	K	48	Very low	46.6	Very low	182 Å²	182	135.9 Å²	135.9	79%	0.791	76%	0.759	S	S	*	*			cis	77.5	139.9	45.2	-67.6	-177.1	178.8	175.9	0	114.4
689	S	46.4	Very low	46.7	Very low	91 Å²	91	136.2 Å²	136.2	64%	0.636	76%	0.761	S	S	*	*			cis	-167.7	-171.6	-17.5	55.3	0	0	0	0	109.2
690	D	54.1	Low	46.4	Very low	130 Å²	130	133.8 Å²	133.8	70%	0.695	76%	0.758	S	S	*	*			trans	82.6	111.4	167.2	-48.4	3.4	0	0	0	113.7
691	E	43.9	Very low	46.8	Very low	172 Å²	172	135 Å²	135	80%	0.804	76%	0.759	S	S	*	*				77.7	100.5	57.2	-66.8	-178.1	159	0	0	112.4
692	D	51.7	Low	47	Very low	155 Å²	155	136.7 Å²	136.7	83%	0.829	76%	0.761	S	S	*	*				-173.9	154	108.6	-99.2	-17.2	0	0	0	114.3
693	D	49.7	Very low	47.1	Very low	144 Å²	144	138.7 Å²	138.7	77%	0.77	77%	0.767	S	S	*	*			trans	-55.2	158.1	-176	-59.1	-46.1	0	0	0	116.8
694	N	48	Very low	47.5	Very low	131 Å²	131	140.5 Å²	140.5	70%	0.701	77%	0.769	S	S	*	*				167.6	152.3	86.3	-155.9	49.5	0	0	0	114.2
695	D	43.6	Very low	47.9	Very low	138 Å²	138	139 Å²	139	74%	0.738	77%	0.77	S	S	*	*			trans	4.2	140	163.4	-51.6	-32.8	0	0	0	120.3
696	G	42	Very low	48.1	Very low	75 Å²	75	142 Å²	142	77%	0.773	77%	0.773	S	S	*	*			cis	121.5	107.9	16.7	0	0	0	0	0	111.3
697	V	48.2	Very low	48.3	Very low	140 Å²	140	141.7 Å²	141.7	85%	0.848	77%	0.771	S	S	*	*			trans	-158.8	128.3	160.4	57.3	0	0	0	0	109.4
698	E	41.5	Very low	48.4	Very low	181 Å²	181	141 Å²	141	85%	0.846	77%	0.77	S	S	*	*			trans	-99.7	142.6	173.9	-63.7	-176.7	147.5	0	0	110.1
699	S	47.9	Very low	48.5	Very low	110 Å²	110	137.5 Å²	137.5	77%	0.769	76%	0.761	S	S	*	*			trans	-157.3	110.1	154	-62.9	0	0	0	0	103.9
700	D	43.8	Very low	48.8	Very low	143 Å²	143	140.5 Å²	140.5	77%	0.765	77%	0.77	S	S	*	*				62.2	137.3	75.3	-79	-31.3	0	0	0	112.8
701	D	51.2	Low	48.7	Very low	148 Å²	148	140.5 Å²	140.5	79%	0.791	77%	0.769	S	S	*	*			trans	68.2	119.2	175	-49.1	-35.4	0	0	0	114.6
702	D	50.9	Low	49.1	Very low	133 Å²	133	140 Å²	140	71%	0.711	77%	0.772	S	S	*	*			cis	-156.4	117.3	37.2	-82.4	-54.4	0	0	0	112.1	L704	D702-L704 HydrophobicContact CB-CG 4.24Å; D702-L704 PolarHBondContact O-N 3.34Å; D702-L704 VanDerWaalsContact O-N 3.1Å
703	D	48.9	Very low	49.3	Very low	166 Å²	166	137.5 Å²	137.5	89%	0.888	76%	0.762	S	S	*	*			trans	-71.5	94.2	161.4	-79.1	-47.5	0	0	0	109.4	D705	D703-D705 PolarHBondContact O-N 3.44Å
704	L	50.5	Low	49.5	Very low	136 Å²	136	139.2 Å²	139.2	71%	0.712	77%	0.766	S	S	*	*			trans	-90.5	82.8	170.5	-66.4	-176.4	0	0	0	110.8	D702 L706	D702-L704 HydrophobicContact CB-CG 4.24Å; D702-L704 PolarHBondContact O-N 3.34Å; D702-L704 VanDerWaalsContact O-N 3.1Å; L704-L706 VanDerWaalsContact C-N 3.25Å; L704-L706 PolarHBondContact O-N 2.95Å
705	D	51.4	Low	49.8	Very low	158 Å²	158	139.7 Å²	139.7	85%	0.845	76%	0.764	S	S	*	*			trans	-56.1	89.7	157.9	-83.8	-33.7	0	0	0	109.1	D703 D707	D703-D705 PolarHBondContact O-N 3.44Å; D705-D707 VanDerWaalsContact C-N 3.26Å; D705-D707 PolarHBondContact O-N 3.33Å
706	L	52.7	Low	50.3	Low	148 Å²	148	140.2 Å²	140.2	78%	0.775	77%	0.767	S	S	*	*			trans	-77.1	86.4	166.4	-70.6	179.2	0	0	0	108.1	L704 D708	L704-L706 VanDerWaalsContact C-N 3.25Å; L704-L706 PolarHBondContact O-N 2.95Å; L706-D708 PolarHBondContact O-N 3.16Å
707	D	49.1	Very low	50.8	Low	126 Å²	126	145.3 Å²	145.3	67%	0.674	77%	0.768	S	S	*	*			trans	-54	95.2	170.2	-171	24.5	0	0	0	109.6	D705 N709	D705-D707 VanDerWaalsContact C-N 3.26Å; D705-D707 PolarHBondContact O-N 3.33Å; D707-N709 PolarHBondContact O-N 2.85Å; D707-N709 PolarHBondContact OD1-ND2 3.44Å; D707-N709 PolarHBondContact OD2-ND2 3.36Å
708	D	53.7	Low	51	Low	153 Å²	153	141 Å²	141	82%	0.818	75%	0.752	S	S	*	*			trans	-70	46.3	175.4	-104.9	-12.4	0	0	0	111.2	L706 D710	L706-D708 PolarHBondContact O-N 3.16Å; D708-D710 PolarHBondContact O-N 3.24Å
709	N	48.6	Very low	51.8	Low	109 Å²	109	136.7 Å²	136.7	58%	0.583	75%	0.747	S	S	*	*			trans	-74.4	65.1	161.5	-99.3	-46.3	0	0	0	108.8	D707 D711	D707-N709 PolarHBondContact O-N 2.85Å; D707-N709 PolarHBondContact OD1-ND2 3.44Å; D707-N709 PolarHBondContact OD2-ND2 3.36Å; N709-D711 PolarHBondContact O-N 3.13Å
710	D	52.5	Low	52	Low	155 Å²	155	138.1 Å²	138.1	83%	0.829	75%	0.746	S	S	*	*			trans	-69.7	79.3	159.3	-121.7	-2.2	0	0	0	106.4	D708 D712	D708-D710 PolarHBondContact O-N 3.24Å; D710-D712 PolarHBondContact O-N 3.41Å; D710-D712 VanDerWaalsContact O-N 3.13Å
711	D	52.4	Low	52.4	Low	129 Å²	129	139.9 Å²	139.9	69%	0.69	75%	0.75	S	S	*	*			trans	-46.7	119.9	174.8	-100.5	-45.2	0	0	0	108.4	N709 V713	N709-D711 PolarHBondContact O-N 3.13Å; D711-V713 HydrophobicContact CB-CG2 4Å; D711-V713 PolarHBondContact O-N 3.27Å
712	D	53.4	Low	52.6	Low	161 Å²	161	139.1 Å²	139.1	86%	0.861	75%	0.746	S	S	*	*			trans	-64.5	71.4	167.7	-108.4	-35.7	0	0	0	108.6	D710 E714	D710-D712 PolarHBondContact O-N 3.41Å; D710-D712 VanDerWaalsContact O-N 3.13Å; D712-E714 PolarHBondContact O-N 3.11Å
713	V	56.3	Low	52.7	Low	103 Å²	103	139.7 Å²	139.7	62%	0.624	75%	0.749	S	S	*	*			trans	-72.3	86.5	167.6	-167.1	0	0	0	0	106	D711 E715	D711-V713 HydrophobicContact CB-CG2 4Å; D711-V713 PolarHBondContact O-N 3.27Å; V713-E715 HydrophobicContact CG1-CG 3.7Å; V713-E715 PolarHBondContact O-N 2.9Å
714	E	53.8	Low	52.9	Low	180 Å²	180	139.5 Å²	139.5	84%	0.841	75%	0.746	S	S	*	*			trans	-57.4	80.6	153	-72.2	-122.4	174.4	0	0	107.4	D712 D716	D712-E714 PolarHBondContact O-N 3.11Å; E714-D716 PolarHBondContact O-N 3.17Å
715	E	53.3	Low	53	Low	141 Å²	141	140.8 Å²	140.8	66%	0.659	75%	0.748	S	S	*	*			trans	-62.9	92.6	161.2	-75.5	-158.7	160.2	0	0	106.1	V713 F717	V713-E715 HydrophobicContact CG1-CG 3.7Å; V713-E715 PolarHBondContact O-N 2.9Å; E715-F717 HydrophobicContact CB-CE2 4.46Å; E715-F717 WeakPolarHBondContact O-CD2 3.4Å; E715-F717 PolarHBondContact O-N 3.27Å
716	D	54.6	Low	52.9	Low	150 Å²	150	141.7 Å²	141.7	80%	0.802	75%	0.747	S	S	*	*			trans	-46.1	90.8	160.7	-176.9	24.1	0	0	0	107.7	E714 G718	E714-D716 PolarHBondContact O-N 3.17Å; D716-G718 PolarHBondContact O-N 2.59Å
717	F	53	Low	52.9	Low	182 Å²	182	142 Å²	142	80%	0.798	75%	0.75	S	S	*	*			trans	-66.6	80.8	172.3	-83.7	-82.8	0	0	0	107.3	E715 A719	E715-F717 HydrophobicContact CB-CE2 4.46Å; E715-F717 WeakPolarHBondContact O-CD2 3.4Å; E715-F717 PolarHBondContact O-N 3.27Å; F717-A719 PolarHBondContact O-N 3.15Å
718	G	52	Low	53.1	Low	49 Å²	49	142.7 Å²	142.7	51%	0.505	75%	0.754	S	S	.	*			trans	-47	130.8	170.6	0	0	0	0	0	108.6	D716 D720	D716-G718 PolarHBondContact O-N 2.59Å; G718-D720 VanDerWaalsContact C-N 3.27Å; G718-D720 PolarHBondContact O-N 3.31Å
719	A	57.8	Low	53.2	Low	90 Å²	90	142.5 Å²	142.5	74%	0.744	75%	0.753	S	S	*	*			trans	-68.1	93.2	172.9	0	0	0	0	0	107.9	F717 E721	F717-A719 PolarHBondContact O-N 3.15Å; A719-E721 PolarHBondContact O-N 3.33Å
720	D	51.5	Low	53.4	Low	140 Å²	140	144.3 Å²	144.3	75%	0.749	76%	0.762	S	S	*	*			trans	-64.7	95.7	161.3	-79.9	-33.5	0	0	0	106.9	G718 D722	G718-D720 VanDerWaalsContact C-N 3.27Å; G718-D720 PolarHBondContact O-N 3.31Å; D720-D722 PolarHBondContact O-N 3.26Å
721	E	53.3	Low	53.5	Low	180 Å²	180	144.1 Å²	144.1	84%	0.841	76%	0.761	S	S	*	*			trans	-68.1	69.3	163.1	-64.6	-177.7	148.2	0	0	107.8	A719 D723	A719-E721 PolarHBondContact O-N 3.33Å; E721-D723 VanDerWaalsContact C-N 3.34Å; E721-D723 PolarHBondContact O-N 3.23Å
722	D	54.7	Low	53.8	Low	133 Å²	133	144.1 Å²	144.1	71%	0.711	76%	0.761	S	S	*	*			trans	-68.2	95	172.2	-82.7	-27.4	0	0	0	108.9	D720 I724	D720-D722 PolarHBondContact O-N 3.26Å; D722-I724 PolarHBondContact O-N 3.1Å
723	D	54.1	Low	53.9	Low	145 Å²	145	142.9 Å²	142.9	78%	0.775	76%	0.755	S	S	*	*			trans	-44.5	103.7	157.4	-91.7	-40	0	0	0	109.3	E721 E725	E721-D723 VanDerWaalsContact C-N 3.34Å; E721-D723 PolarHBondContact O-N 3.23Å; D723-E725 VanDerWaalsContact C-N 3.31Å; D723-E725 HydrophobicContact CB-CG 4.41Å; D723-E725 PolarHBondContact O-N 3.49Å
724	I	52.2	Low	53.7	Low	162 Å²	162	146.3 Å²	146.3	83%	0.831	76%	0.764	S	S	*	*			trans	-88	85.2	157	-60.8	177.9	0	0	0	105	D722	D722-I724 PolarHBondContact O-N 3.1Å
725	E	51.9	Low	53.7	Low	162 Å²	162	146.9 Å²	146.9	76%	0.757	77%	0.767	S	S	*	*			trans	-61.5	152.6	168.2	-71.8	-159.6	151.3	0	0	110.3	D723 D727	D723-E725 VanDerWaalsContact C-N 3.31Å; D723-E725 HydrophobicContact CB-CG 4.41Å; D723-E725 PolarHBondContact O-N 3.49Å; E725-D727 PolarHBondContact O-N 3.47Å
726	E	49.3	Very low	54	Low	177 Å²	177	149.3 Å²	149.3	83%	0.827	78%	0.778	S	S	*	*			trans	-77.2	103.2	-173.8	-62.7	165.3	144.3	0	0	109.9	D728	E726-D728 PolarHBondContact O-N 3.06Å
727	D	53.3	Low	54.5	Low	154 Å²	154	151.3 Å²	151.3	82%	0.824	78%	0.782	S	S	*	*			trans	-76.8	81.9	159.3	-84.3	-27.9	0	0	0	108.4	E725 D729	E725-D727 PolarHBondContact O-N 3.47Å; D727-D729 PolarHBondContact O-N 3.36Å; D727-D729 VanDerWaalsContact O-N 3.08Å
728	D	53.5	Low	54.8	Low	142 Å²	142	148.4 Å²	148.4	76%	0.759	78%	0.784	S	S	*	*			trans	-66.1	83.5	156	-84	-32.1	0	0	0	108.3	E726 D730	E726-D728 PolarHBondContact O-N 3.06Å; D728-D730 PolarHBondContact O-N 3.47Å
729	D	55.2	Low	55.2	Low	149 Å²	149	157.9 Å²	157.9	80%	0.797	82%	0.822	S	S	*	*			trans	-88.6	96.5	163.6	-89.7	-28	0	0	0	109.3	D727	D727-D729 PolarHBondContact O-N 3.36Å; D727-D729 VanDerWaalsContact O-N 3.08Å
730	D	52.6	Low	55.1	Low	146 Å²	146	161.3 Å²	161.3	78%	0.781	83%	0.826	S	S	*	*			trans	-51.4	130.6	152.8	-73.9	-52	0	0	0	109.8	D728	D728-D730 PolarHBondContact O-N 3.47Å
731	D	54.9	Low	55.3	Low	151 Å²	151	162.4 Å²	162.4	81%	0.807	83%	0.83	S	S	*	*			trans	-166.7	93.4	148.3	-97.3	-23.3	0	0	0	105
732	D	58.4	Low	55.4	Low	129 Å²	129	161.4 Å²	161.4	69%	0.69	83%	0.83	S	S	*	*				70.4	126.1	89.4	-88.6	-6.2	0	0	0	113.2
733	D	55.8	Low	55.4	Low	135 Å²	135	163.1 Å²	163.1	72%	0.722	84%	0.837	S	S	*	*			trans	64.8	132.6	136.2	-67.7	-8.8	0	0	0	120.1
734	E	53.3	Low	55.5	Low	175 Å²	175	164.2 Å²	164.2	82%	0.818	84%	0.841	S	S	*	*			cis	-142.2	165.9	5.4	-61.5	-171.3	124.8	0	0	111.3
735	E	52.4	Low	55.7	Low	193 Å²	193	164.3 Å²	164.3	90%	0.902	84%	0.841	S	S	*	*			trans	-74.6	121.6	166.6	-56.9	-179.1	160.8	0	0	110.6
736	E	60.2	Low	56	Low	191 Å²	191	164.5 Å²	164.5	89%	0.893	85%	0.847	S	S	*	*			trans	-117.1	98.5	155.8	-83.9	-153	150.6	0	0	111.8
737	E	64.7	Low	56.5	Low	192 Å²	192	163.5 Å²	163.5	90%	0.897	85%	0.849	S	S	*	*			trans	-61.3	126.4	164.1	180	179.1	-134.8	0	0	111.1
738	C	60.3	Low	56.8	Low	122 Å²	122	164.3 Å²	164.3	82%	0.824	85%	0.851	S	S	*	*			trans	-147.8	135.3	165.6	-91.1	0	0	0	0	110.7
739	D	60	Low	57.1	Low	247 Å²	247	166.4 Å²	166.4	100%	1.321	86%	0.859	S	S	*	*			trans	-57.4	0	-170.5	-70.8	-86	0	0	0	117.4

Retrieved 739 of 739 residues in 167.8 ms (Link to these results)

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