A0A096MEA0_POEFO Loading...

Mitogen-activated protein kinase 8 interacting protein 1

AlphaFold DB , UniProt , Accession A0A096MEA0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 781 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	34.4	Very low	252 Å²	252	134.3 Å²	134.3	100%	1.241	82%	0.819	S	S	*	*				0	113.9	0	-78.1	169.1	162.6	0	0	104.8
2	D	33.6	Very low	34.8	Very low	153 Å²	153	135.1 Å²	135.1	82%	0.818	81%	0.81	S	S	*	*			trans	-157.8	150.9	-162.7	-166.5	-0.3	0	0	0	108.3
3	S	36.8	Very low	35	Very low	118 Å²	118	135.2 Å²	135.2	83%	0.825	80%	0.797	S	S	*	*			trans	60.1	153.3	-176.8	-57.2	0	0	0	0	116.5
4	G	34.1	Very low	34.9	Very low	78 Å²	78	132.4 Å²	132.4	80%	0.804	78%	0.777	S	S	*	*			cis	156.8	151.8	-5.5	0	0	0	0	0	112
5	G	31	Very low	35.3	Very low	66 Å²	66	132.6 Å²	132.6	68%	0.68	77%	0.767	S	S	*	*			trans	95.8	129	-176.7	0	0	0	0	0	112.7
6	E	37.1	Very low	35.6	Very low	204 Å²	204	136.4 Å²	136.4	95%	0.953	77%	0.765	S	S	*	*			cis	102.1	147.5	37.4	-79.1	-179.8	135.2	0	0	112.9
7	G	30.1	Very low	35.6	Very low	83 Å²	83	136 Å²	136	86%	0.856	76%	0.756	S	S	*	*			trans	103	92.5	-179.3	0	0	0	0	0	114.3
8	G	33.6	Very low	35.6	Very low	77 Å²	77	136.3 Å²	136.3	79%	0.794	75%	0.748	S	S	*	*			trans	-162.6	9.9	179.7	0	0	0	0	0	116.3
9	E	37.8	Very low	35.9	Very low	184 Å²	184	139.3 Å²	139.3	86%	0.86	75%	0.747	S	S	*	*	S	Bend	trans	-130.8	151.4	179.4	58	-146.2	128.1	0	0	109.6
10	G	32.6	Very low	36	Very low	29 Å²	29	140.1 Å²	140.1	30%	0.299	75%	0.75	S	S	.	*			trans	117.8	-41.3	-175.2	0	0	0	0	0	115.4	M12 E13 D14	G10-M12 PolarHBondContact O-N 3.06Å; G10-E13 PolarHBondContact O-N 3.02Å; G10-D14 PolarHBondContact O-N 3.32Å
11	W	34.5	Very low	35.9	Very low	233 Å²	233	138 Å²	138	88%	0.883	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	2.9	-170.7	-83.4	83.6	0	0	0	118.4
12	M	38.7	Very low	35.6	Very low	144 Å²	144	133.1 Å²	133.1	71%	0.709	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	6.1	172.6	-67.9	-171.2	-179.1	0	0	113.7	G10 W16	G10-M12 PolarHBondContact O-N 3.06Å; M12-W16 VanDerWaalsContact O-CD1 3.26Å
13	E	37.3	Very low	35.5	Very low	136 Å²	136	132.8 Å²	132.8	64%	0.636	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	-49.4	179.5	-153.9	140.5	-137.9	0	0	109.1	G10 Q15 W16 E17	G10-E13 PolarHBondContact O-N 3.02Å; E13-Q15 PolarHBondContact O-N 3.33Å; E13-W16 PolarHBondContact O-N 3.07Å; E13-E17 PolarHBondContact O-N 3.12Å
14	D	34.4	Very low	35.5	Very low	97 Å²	97	134.8 Å²	134.8	52%	0.519	71%	0.714	S	S	.	*	H	α-helix	trans	-48	-30.8	172.2	-53.9	3.5	0	0	0	114.3	G10 K18	G10-D14 PolarHBondContact O-N 3.32Å; D14-K18 WeakPolarHBondContact O-CB 3.47Å; D14-K18 WeakPolarHBondContact O-CG 3.49Å; D14-K18 PolarHBondContact O-N 3.03Å
15	Q	39.9	Very low	35.5	Very low	135 Å²	135	135.8 Å²	135.8	63%	0.631	71%	0.709	S	S	*	*	H	α-helix	trans	-79.5	-17.1	-177.5	-159.9	172.6	19.7	0	0	113.1	E13	E13-Q15 PolarHBondContact O-N 3.33Å
16	W	41.3	Very low	36.1	Very low	193 Å²	193	140.2 Å²	140.2	73%	0.731	72%	0.716	S	S	*	*	H	α-helix	trans	-97.1	-37.3	175	-66.7	86.4	0	0	0	112.1	M12 E13 K18 W19	M12-W16 VanDerWaalsContact O-CD1 3.26Å; E13-W16 PolarHBondContact O-N 3.07Å; W16-K18 VanDerWaalsContact C-N 3.29Å; W16-K18 PolarHBondContact O-N 2.96Å; W16-W19 PolarHBondContact O-N 2.73Å
17	E	35.8	Very low	36	Very low	130 Å²	130	137.7 Å²	137.7	61%	0.607	71%	0.71	S	S	*	*	H	α-helix	trans	-62.7	-38.5	174.5	-62.3	-161.9	146.6	0	0	111.3	E13 W19 L20 T21	E13-E17 PolarHBondContact O-N 3.12Å; E17-W19 PolarHBondContact O-N 2.74Å; E17-L20 PolarHBondContact O-N 2.76Å; E17-T21 PolarHBondContact O-N 3.46Å; E17-T21 PolarHBondContact O-OG1 2.92Å
18	K	35.2	Very low	36.5	Very low	141 Å²	141	142.2 Å²	142.2	61%	0.613	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-17.7	171.7	-87.2	-173.6	171.4	-177.3	0	115.4	D14 W16 H22	D14-K18 WeakPolarHBondContact O-CB 3.47Å; D14-K18 WeakPolarHBondContact O-CG 3.49Å; D14-K18 PolarHBondContact O-N 3.03Å; W16-K18 VanDerWaalsContact C-N 3.29Å; W16-K18 PolarHBondContact O-N 2.96Å; K18-H22 PolarHBondContact O-CE1 2.75Å; K18-H22 PolarHBondContact O-ND1 3.17Å
19	W	40.2	Very low	36.6	Very low	193 Å²	193	149 Å²	149	73%	0.731	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-3.1	175.3	-75.8	54.1	0	0	0	112.9	W16 E17	W16-W19 PolarHBondContact O-N 2.73Å; E17-W19 PolarHBondContact O-N 2.74Å
20	L	38.8	Very low	36.6	Very low	156 Å²	156	149 Å²	149	82%	0.817	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.8	-4.3	-176.4	-72	169.5	0	0	0	114.2	E17	E17-L20 PolarHBondContact O-N 2.76Å
21	T	34.6	Very low	37.3	Very low	96 Å²	96	155.3 Å²	155.3	59%	0.589	74%	0.744	S	S	*	*			trans	-130.2	31	-178.3	73.3	0	0	0	0	113.9	E17 D23	E17-T21 PolarHBondContact O-N 3.46Å; E17-T21 PolarHBondContact O-OG1 2.92Å; T21-D23 PolarHBondContact O-N 2.71Å
22	H	29.9	Very low	37.5	Very low	149 Å²	149	151.7 Å²	151.7	69%	0.69	74%	0.741	S	S	*	*			trans	-89	91.6	163.3	-82.9	85.6	0	0	0	108.4	K18 I24	K18-H22 PolarHBondContact O-CE1 2.75Å; K18-H22 PolarHBondContact O-ND1 3.17Å; H22-I24 PolarHBondContact O-N 3.11Å
23	D	31.5	Very low	37.8	Very low	146 Å²	146	152.2 Å²	152.2	78%	0.781	75%	0.747	S	S	*	*			trans	-57.1	123.9	166.9	-68.6	-56.7	0	0	0	109.2	T21 S25	T21-D23 PolarHBondContact O-N 2.71Å; D23-S25 PolarHBondContact O-N 2.81Å; D23-S25 VanDerWaalsContact O-N 3.08Å
24	I	37.7	Very low	37.9	Very low	160 Å²	160	153.8 Å²	153.8	82%	0.821	76%	0.759	S	S	*	*			trans	-86.1	67.8	169.5	-49.5	178.8	0	0	0	107.3	H22 L26	H22-I24 PolarHBondContact O-N 3.11Å; I24-L26 PolarHBondContact O-N 3.05Å
25	S	34.2	Very low	37.9	Very low	100 Å²	100	154.8 Å²	154.8	70%	0.699	77%	0.774	S	S	*	*			trans	-70.1	106.7	167.9	54.7	0	0	0	0	108.7	D23 D27	D23-S25 PolarHBondContact O-N 2.81Å; D23-S25 VanDerWaalsContact O-N 3.08Å; S25-D27 PolarHBondContact O-N 2.94Å; S25-D27 VanDerWaalsContact O-N 3.14Å
26	L	42.2	Very low	37.8	Very low	158 Å²	158	156.6 Å²	156.6	83%	0.827	78%	0.782	S	S	*	*			trans	-71.9	97.2	166.9	-75.1	169.4	0	0	0	109.1	I24	I24-L26 PolarHBondContact O-N 3.05Å
27	D	35.8	Very low	37.2	Very low	152 Å²	152	153.9 Å²	153.9	81%	0.813	78%	0.78	S	S	*	*			trans	-164.9	155.1	151.2	-99.1	-38.3	0	0	0	109.8	S25	S25-D27 PolarHBondContact O-N 2.94Å; S25-D27 VanDerWaalsContact O-N 3.14Å
28	E	41.3	Very low	37.2	Very low	178 Å²	178	154.1 Å²	154.1	83%	0.832	79%	0.791	S	S	*	*			trans	51.8	82.6	170.5	-64.1	-177.5	-174.9	0	0	117.8
29	F	34.8	Very low	37.2	Very low	218 Å²	218	155.3 Å²	155.3	96%	0.956	80%	0.799	S	S	*	*				-143.5	119.3	119.7	-112.9	-76.7	0	0	0	109.5
30	E	38.8	Very low	36.9	Very low	185 Å²	185	154 Å²	154	86%	0.864	80%	0.804	S	S	*	*			trans	-77	156.4	-179.9	-63.3	174.2	119.1	0	0	111.3
31	D	45.5	Very low	36.6	Very low	162 Å²	162	152.3 Å²	152.3	87%	0.866	80%	0.8	S	S	*	*			trans	-65.6	141.4	169.3	-65.3	-72.4	0	0	0	111
32	D	38.5	Very low	36.5	Very low	156 Å²	156	154.5 Å²	154.5	83%	0.834	81%	0.809	S	S	*	*			trans	-160.3	164.1	144.2	-121	-24.5	0	0	0	113.1
33	D	45.3	Very low	36.8	Very low	156 Å²	156	155.1 Å²	155.1	83%	0.834	81%	0.812	S	S	*	*			trans	58.8	73	173.3	-73.9	-19.3	0	0	0	118.2
34	L	40	Very low	37	Very low	169 Å²	169	159.2 Å²	159.2	89%	0.885	82%	0.816	S	S	*	*			trans	-75.4	147.3	145.8	-83.4	174.2	0	0	0	111.5
35	S	34.8	Very low	36.6	Very low	118 Å²	118	154.9 Å²	154.9	83%	0.825	81%	0.812	S	S	*	*			trans	78.2	115.9	160.1	75.3	0	0	0	0	119.8
36	E	37.4	Very low	36.3	Very low	173 Å²	173	159.4 Å²	159.4	81%	0.808	82%	0.824	S	S	*	*			trans	-136.8	145.6	139.3	-139.3	-156.2	151.2	0	0	110
37	I	29.8	Very low	35.6	Very low	135 Å²	135	157.1 Å²	157.1	69%	0.692	82%	0.821	S	S	*	*			trans	59.4	93.4	165.2	-59.6	157.3	0	0	0	117
38	T	34	Very low	35.2	Very low	135 Å²	135	157.6 Å²	157.6	83%	0.828	82%	0.823	S	S	*	*				-89.5	169.3	126.8	49.7	0	0	0	0	110.3
39	E	35.1	Very low	34.5	Very low	167 Å²	167	155.8 Å²	155.8	78%	0.78	82%	0.819	S	S	*	*			trans	81.6	117.2	165.2	-163.4	167.9	-128.7	0	0	118.5
40	I	34.6	Very low	34	Very low	164 Å²	164	149.5 Å²	149.5	84%	0.841	80%	0.801	S	S	*	*				-169.8	148.4	114.5	-91	159.7	0	0	0	108.2
41	T	32.2	Very low	33.5	Very low	121 Å²	121	147.9 Å²	147.9	74%	0.742	80%	0.798	S	S	*	*			trans	-100	160.4	-167.9	51.4	0	0	0	0	115.6
42	D	34.1	Very low	32.6	Very low	142 Å²	142	143.5 Å²	143.5	76%	0.759	79%	0.792	S	S	*	*			trans	17.5	113.6	145.4	-175.5	24.3	0	0	0	119.5
43	E	35.5	Very low	32.8	Very low	162 Å²	162	141.7 Å²	141.7	76%	0.757	79%	0.788	S	S	*	*				-160.3	107.1	125.9	46.6	169.3	178.2	0	0	114
44	R	36	Very low	32	Very low	232 Å²	232	140.7 Å²	140.7	88%	0.875	78%	0.783	S	S	*	*			trans	160.6	87.8	142.7	-88.4	160.2	-156.1	-113.9	0.5	112.1
45	G	29.5	Very low	31.5	Very low	70 Å²	70	139.8 Å²	139.8	72%	0.722	78%	0.777	S	S	*	*			trans	-78.6	154.9	161.2	0	0	0	0	0	112.4
46	M	27.1	Very low	31.1	Very low	195 Å²	195	143.7 Å²	143.7	96%	0.961	78%	0.779	S	S	*	*			trans	-156	141.1	143.8	-92.5	-72.9	164.3	0	0	107.8
47	S	26.6	Very low	30.6	Very low	110 Å²	110	139.2 Å²	139.2	77%	0.769	78%	0.779	S	S	*	*			trans	-102.7	-171.7	-167.2	-49.1	0	0	0	0	113.1
48	L	29.1	Very low	30.5	Very low	161 Å²	161	144.1 Å²	144.1	84%	0.843	79%	0.789	S	S	*	*			trans	98	90.7	157.8	-50	-176.8	0	0	0	118.7
49	N	25.7	Very low	30.2	Very low	140 Å²	140	142.9 Å²	142.9	75%	0.749	78%	0.781	S	S	*	*				57.7	126.4	102.2	-160.1	42.6	0	0	0	121
50	C	24.7	Very low	30.1	Very low	87 Å²	87	145.5 Å²	145.5	59%	0.588	78%	0.784	S	S	*	*			trans	71.1	147.1	145.8	78.7	0	0	0	0	123
51	N	27.5	Very low	29.9	Very low	151 Å²	151	148.3 Å²	148.3	81%	0.807	78%	0.784	S	S	*	*			trans	77.3	122	159.7	-53.3	-24.9	0	0	0	119.5
52	G	27.3	Very low	29.6	Very low	70 Å²	70	145.8 Å²	145.8	72%	0.722	78%	0.782	S	S	*	*			trans	-83	-168.8	145.4	0	0	0	0	0	111
53	P	42.9	Very low	29.5	Very low	117 Å²	117	145 Å²	145	76%	0.76	78%	0.782	S	S	*	*			cis	-138.3	-154.1	24.4	42.7	-22.9	0	0	0	114.4
54	D	27.8	Very low	29.2	Very low	135 Å²	135	142.6 Å²	142.6	72%	0.722	78%	0.784	S	S	*	*			trans	80.5	105.3	151.6	-77.5	2.5	0	0	0	123.9
55	I	29.7	Very low	28.8	Very low	150 Å²	150	136.5 Å²	136.5	77%	0.769	78%	0.777	S	S	*	*			trans	15	147.2	130.1	46.4	168.5	0	0	0	122.8
56	K	26.8	Very low	28.7	Very low	201 Å²	201	141.3 Å²	141.3	87%	0.874	78%	0.782	S	S	*	*			trans	108.3	69.2	138	-152.2	174.2	-173	174.1	0	119.2
57	G	26.7	Very low	28.7	Very low	78 Å²	78	138 Å²	138	80%	0.804	78%	0.778	S	S	*	*			trans	-80.5	-133.5	179.4	0	0	0	0	0	119.9
58	R	27.1	Very low	28.7	Very low	239 Å²	239	136 Å²	136	90%	0.902	78%	0.775	S	S	*	*			trans	101.9	153.4	171.8	-155.2	-165.2	-175.1	-137.9	5.2	117.5
59	V	29	Very low	28.6	Very low	109 Å²	109	138.2 Å²	138.2	66%	0.661	77%	0.772	S	S	*	*			trans	81.6	133.5	164.1	-176.4	0	0	0	0	115.1
60	R	33.1	Very low	28.6	Very low	222 Å²	222	138.4 Å²	138.4	84%	0.838	78%	0.778	S	S	*	*			cis	-158	157.4	-13.1	-115.6	175.1	177.5	164	-5.5	105.8
61	R	28.7	Very low	28.7	Very low	222 Å²	222	140.1 Å²	140.1	84%	0.838	78%	0.778	S	S	*	*				177.4	134	70.4	-161.5	176.8	-61.9	-131.7	4.7	105.6
62	G	27.2	Very low	28.7	Very low	68 Å²	68	140.9 Å²	140.9	70%	0.701	78%	0.781	S	S	*	*				79.7	134	80.8	0	0	0	0	0	111.6
63	T	30.7	Very low	28.7	Very low	125 Å²	125	141.2 Å²	141.2	77%	0.767	78%	0.784	S	S	*	*			cis	-160.9	141.9	29.6	47.8	0	0	0	0	115.3
64	S	30	Very low	28.1	Very low	113 Å²	113	140 Å²	140	79%	0.79	78%	0.784	S	S	*	*			trans	33	159.1	138.1	65	0	0	0	0	123
65	S	27.4	Very low	28.1	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	79%	0.793	S	S	*	*			cis	-154.9	139.6	20.2	-164.8	0	0	0	0	108.9
66	M	28.4	Very low	28.2	Very low	170 Å²	170	137.2 Å²	137.2	84%	0.837	79%	0.794	S	S	*	*			cis	75.3	104.4	49.9	-78	-102.4	69.6	0	0	116.5
67	S	26	Very low	28.5	Very low	125 Å²	125	135.7 Å²	135.7	87%	0.874	79%	0.79	S	S	*	*			trans	174.3	148.1	144.4	-166.4	0	0	0	0	109.2
68	G	26.1	Very low	28.6	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	79%	0.791	S	S	*	*			cis	-178.7	117.1	-5.8	0	0	0	0	0	114.1
69	R	28.5	Very low	28.7	Very low	208 Å²	208	138.9 Å²	138.9	79%	0.785	79%	0.791	S	S	*	*			trans	-4.5	143.1	152.7	172.9	-178.1	-179.8	-170.9	3.3	120.5	E71	R69-E71 IonicContact CZ-OE2 3.13Å; R69-E71 IonicContact NE-OE2 2.75Å; R69-E71 PolarHBondContact NE-OE2 3.31Å; R69-E71 IonicContact NH2-OE1 3.66Å; R69-E71 IonicContact NH2-OE2 2.68Å; R69-E71 PolarHBondContact NH2-OE2 2.95Å
70	V	25.7	Very low	28.9	Very low	145 Å²	145	137.8 Å²	137.8	88%	0.879	79%	0.794	S	S	*	*			trans	-161.4	170.6	131.5	134.7	0	0	0	0	111
71	E	26.4	Very low	28.8	Very low	122 Å²	122	135.8 Å²	135.8	57%	0.57	79%	0.794	S	S	*	*			trans	-125	171.4	-149.9	-110.7	153.2	103.8	0	0	115.9	R69	R69-E71 IonicContact CZ-OE2 3.13Å; R69-E71 IonicContact NE-OE2 2.75Å; R69-E71 PolarHBondContact NE-OE2 3.31Å; R69-E71 IonicContact NH2-OE1 3.66Å; R69-E71 IonicContact NH2-OE2 2.68Å; R69-E71 PolarHBondContact NH2-OE2 2.95Å
72	L	28	Very low	29	Very low	168 Å²	168	133.6 Å²	133.6	88%	0.88	80%	0.795	S	S	*	*			trans	84.1	110	151.7	-76.2	158.7	0	0	0	122.8
73	G	26.3	Very low	29.5	Very low	76 Å²	76	137.2 Å²	137.2	78%	0.784	80%	0.798	S	S	*	*				106.3	148.9	129.9	0	0	0	0	0	118.6
74	A	30	Very low	29.7	Very low	93 Å²	93	138.9 Å²	138.9	77%	0.769	80%	0.796	S	S	*	*			cis	-165.7	159.6	-16.4	0	0	0	0	0	111.5
75	V	27.7	Very low	29.7	Very low	150 Å²	150	140.9 Å²	140.9	91%	0.909	80%	0.797	S	S	*	*			trans	67.6	120.1	166.7	-170.7	0	0	0	0	117.3
76	G	31.7	Very low	29.9	Very low	76 Å²	76	144.3 Å²	144.3	78%	0.784	80%	0.802	S	S	*	*			trans	-164.2	3.2	177.6	0	0	0	0	0	118.1
77	Q	34.3	Very low	30.1	Very low	169 Å²	169	143.6 Å²	143.6	79%	0.79	80%	0.801	S	S	*	*			trans	65.8	134.1	173.2	-85.4	179.9	-25.2	0	0	120.7
78	F	28.7	Very low	30.3	Very low	191 Å²	191	144.9 Å²	144.9	84%	0.838	80%	0.797	S	S	*	*			trans	51.8	107.9	163	-64.8	-68.2	0	0	0	121
79	Q	28.3	Very low	30.4	Very low	193 Å²	193	148.5 Å²	148.5	90%	0.902	80%	0.8	S	S	*	*			trans	-111.2	161	160.2	-172.5	170.7	17	0	0	109.3
80	A	34.8	Very low	30.5	Very low	86 Å²	86	141.5 Å²	141.5	71%	0.711	79%	0.792	S	S	*	*			trans	-62.1	160.7	-177.3	0	0	0	0	0	115.2
81	E	29	Very low	30.8	Very low	180 Å²	180	139.6 Å²	139.6	84%	0.841	79%	0.792	S	S	*	*			trans	-116.6	136.2	146.1	-70.6	-160.4	149.3	0	0	110.2
82	M	34.9	Very low	31	Very low	175 Å²	175	141.8 Å²	141.8	86%	0.862	81%	0.807	S	S	*	*			trans	-140	96.6	180	168.3	172.1	52.1	0	0	106.4
83	L	37.2	Very low	31.1	Very low	144 Å²	144	137 Å²	137	75%	0.754	80%	0.799	S	S	*	*			trans	-133.5	85.3	-172.4	-71.2	177	0	0	0	112.1
84	H	33.7	Very low	31.3	Very low	160 Å²	160	144.2 Å²	144.2	74%	0.741	80%	0.804	S	S	*	*				18.9	128.4	121.6	-154.1	-93.4	0	0	0	118.5
85	L	31.7	Very low	31.2	Very low	155 Å²	155	151.5 Å²	151.5	81%	0.812	81%	0.812	S	S	*	*				-169.1	142	129	-104.3	159	0	0	0	114.6
86	E	30.9	Very low	31.3	Very low	176 Å²	176	147.9 Å²	147.9	82%	0.822	81%	0.805	S	S	*	*			trans	74.6	155.7	163.7	-54.2	-160.6	131.9	0	0	121.4
87	L	31.8	Very low	31.1	Very low	156 Å²	156	151.1 Å²	151.1	82%	0.817	80%	0.804	S	S	*	*			trans	-151	-177.6	-151.2	-87.5	160.6	0	0	0	110.4
88	I	30.7	Very low	31	Very low	152 Å²	152	150.7 Å²	150.7	78%	0.779	80%	0.8	S	S	*	*			trans	80.2	122.6	169.9	-55.9	175.8	0	0	0	113.8
89	D	29	Very low	31	Very low	144 Å²	144	147.4 Å²	147.4	77%	0.77	79%	0.791	S	S	*	*			cis	-163.1	171.2	-16.2	-113.4	-43.6	0	0	0	108.9
90	G	30.2	Very low	31	Very low	61 Å²	61	143.7 Å²	143.7	63%	0.629	78%	0.782	S	S	*	*			cis	178.9	165.8	1.7	0	0	0	0	0	115.5
91	A	31.9	Very low	30.9	Very low	105 Å²	105	147 Å²	147	87%	0.868	79%	0.787	S	S	*	*			trans	39.2	113.4	133.9	0	0	0	0	0	121
92	D	29.8	Very low	30.8	Very low	167 Å²	167	147.3 Å²	147.3	89%	0.893	79%	0.785	S	S	*	*			trans	-131.5	138	151.5	-165.2	-2.3	0	0	0	109
93	G	30.6	Very low	30.5	Very low	69 Å²	69	143 Å²	143	71%	0.711	78%	0.778	S	S	*	*			trans	161.5	97.2	-168	0	0	0	0	0	115.6
94	Y	29.7	Very low	30.1	Very low	226 Å²	226	140.9 Å²	140.9	89%	0.886	78%	0.775	S	S	*	*			trans	-45.7	136.3	-179.8	-70.2	-97.3	0	0	0	117.7
95	R	29.7	Very low	30	Very low	246 Å²	246	135.7 Å²	135.7	93%	0.928	76%	0.76	S	S	*	*				172.9	132.1	120.9	-178	-179.5	-55.9	-98.3	-1.1	112
96	G	27.9	Very low	30	Very low	75 Å²	75	134.9 Å²	134.9	77%	0.773	76%	0.761	S	S	*	*			trans	163	85.1	167.9	0	0	0	0	0	117.8
97	D	28.6	Very low	29.9	Very low	143 Å²	143	129.9 Å²	129.9	77%	0.765	75%	0.75	S	S	*	*			trans	-45.7	132.4	167.1	170.6	44.8	0	0	0	115.9
98	K	31.6	Very low	29.7	Very low	161 Å²	161	129.2 Å²	129.2	70%	0.7	75%	0.753	S	S	*	*				172.7	157.9	122.6	-98.2	-178.3	-178	-177	0	120.6
99	D	28.9	Very low	29.5	Very low	121 Å²	121	128.1 Å²	128.1	65%	0.647	75%	0.752	S	S	*	*			trans	69.4	92.5	144.7	-62.5	-15.6	0	0	0	124.1
100	T	29.2	Very low	29.9	Very low	116 Å²	116	126.9 Å²	126.9	71%	0.712	75%	0.752	S	S	*	*				46.8	123.8	124.5	65.4	0	0	0	0	122.9
101	L	31	Very low	29.8	Very low	156 Å²	156	129.6 Å²	129.6	82%	0.817	76%	0.757	S	S	*	*				173	154.1	102.2	-96.1	173.7	0	0	0	116.5
102	K	28.2	Very low	29.5	Very low	185 Å²	185	130.3 Å²	130.3	80%	0.804	75%	0.75	S	S	*	*			trans	71.2	130.8	156.3	-76.6	178	178.2	176.6	0	122.2
103	A	28.6	Very low	29.4	Very low	85 Å²	85	130.7 Å²	130.7	70%	0.702	74%	0.744	S	S	*	*			trans	34.9	147.4	137.9	0	0	0	0	0	121.4
104	S	28.3	Very low	29.1	Very low	99 Å²	99	133 Å²	133	69%	0.692	74%	0.74	S	S	*	*			cis	-132.9	-153.4	11.4	-121.3	0	0	0	0	111.7	K370	S104-K370 WeakPolarHBondContact O-CD 3.2Å; S104-K370 PolarHBondContact O-NZ 3.06Å
105	A	32.1	Very low	28.9	Very low	52 Å²	52	127.8 Å²	127.8	43%	0.43	74%	0.736	S	S	.	*			trans	-163.2	-169.9	178.4	0	0	0	0	0	111.2	K370	A105-K370 HydrophobicContact CB-CB 3.77Å; A105-K370 HydrophobicContact CB-CD 3.95Å
106	V	31.4	Very low	28.7	Very low	137 Å²	137	119.9 Å²	119.9	83%	0.83	73%	0.732	S	S	*	*			trans	84.1	133.8	167.1	177.1	0	0	0	0	114
107	A	28.6	Very low	29.1	Very low	72 Å²	72	120.7 Å²	120.7	60%	0.595	73%	0.731	S	S	*	*			cis	-154.2	154.7	25	0	0	0	0	0	118.3
108	T	27.2	Very low	29.4	Very low	142 Å²	142	119.6 Å²	119.6	87%	0.871	73%	0.732	S	S	*	*			trans	63.5	150.4	139.2	47.6	0	0	0	0	125.4
109	V	27.2	Very low	29.2	Very low	128 Å²	128	117.9 Å²	117.9	78%	0.776	74%	0.735	S	S	*	*			trans	-110.2	164.9	174.2	-150.9	0	0	0	0	110
110	P	36.8	Very low	29.4	Very low	118 Å²	118	117.8 Å²	117.8	77%	0.766	74%	0.739	S	S	*	*				-152.5	140	103.1	37.4	-19.1	0	0	0	118.3
111	V	27.6	Very low	29.6	Very low	119 Å²	119	120.4 Å²	120.4	72%	0.721	75%	0.745	S	S	*	*				22.3	127	122.5	-163.8	0	0	0	0	117.1
112	T	26.5	Very low	29.6	Very low	120 Å²	120	120 Å²	120	74%	0.736	74%	0.743	S	S	*	*				-169.8	152	54.3	-22.3	0	0	0	0	115
113	K	27.6	Very low	30.3	Very low	174 Å²	174	117.7 Å²	117.7	76%	0.757	75%	0.745	S	S	*	*			trans	61.7	116.2	140.1	-103.3	-176.9	173	-93.7	0	125.5
114	D	24.3	Very low	30.3	Very low	118 Å²	118	123.9 Å²	123.9	63%	0.631	75%	0.752	S	S	*	*				99.4	136.7	114.4	-115.5	-34.9	0	0	0	124.5
115	S	25.1	Very low	30.7	Very low	116 Å²	116	126.7 Å²	126.7	81%	0.811	75%	0.747	S	S	*	*			trans	60.6	135	159.4	68.9	0	0	0	0	122
116	G	26.7	Very low	30.9	Very low	80 Å²	80	128.9 Å²	128.9	83%	0.825	76%	0.757	S	S	*	*			trans	137.2	119.5	161.5	0	0	0	0	0	114.7
117	A	36.1	Very low	31.1	Very low	93 Å²	93	132.4 Å²	132.4	77%	0.769	76%	0.761	S	S	*	*			trans	-131.1	134.1	175	0	0	0	0	0	111.4
118	P	34.2	Very low	32.3	Very low	120 Å²	120	133.3 Å²	133.3	78%	0.779	75%	0.749	S	S	*	*			trans	-95.9	123	161.5	33.8	-25.8	0	0	0	109.2
119	V	28.1	Very low	32.9	Very low	125 Å²	125	132.2 Å²	132.2	76%	0.758	74%	0.744	S	S	*	*				62.3	100.9	59.6	-174.1	0	0	0	0	111.5
120	T	33.2	Very low	33.8	Very low	119 Å²	119	132.3 Å²	132.3	73%	0.73	75%	0.745	S	S	*	*			trans	-75	147.7	168.8	43.9	0	0	0	0	110.8
121	M	33.2	Very low	34.1	Very low	171 Å²	171	131.8 Å²	131.8	84%	0.842	74%	0.74	S	S	*	*			trans	-107.7	91	177.1	-77.6	-67.8	-62	0	0	110.2	T123	M121-T123 PolarHBondContact O-N 3.01Å
122	D	31.4	Very low	34.4	Very low	147 Å²	147	133.2 Å²	133.2	79%	0.786	74%	0.743	S	S	*	*			trans	-66.9	123.8	171.8	-65.5	-54.5	0	0	0	110.2
123	T	41.3	Very low	34.9	Very low	137 Å²	137	133.6 Å²	133.6	84%	0.84	74%	0.741	S	S	*	*			trans	-83.2	129.4	176.7	-62.8	0	0	0	0	110.1	M121 R125	M121-T123 PolarHBondContact O-N 3.01Å; T123-R125 PolarHBondContact O-N 3.3Å
124	Y	29.9	Very low	35.3	Very low	214 Å²	214	132.1 Å²	132.1	84%	0.839	74%	0.74	S	S	*	*			trans	-68	89.6	-169.4	-172	-93.1	0	0	0	112.9
125	R	36.2	Very low	35.7	Very low	159 Å²	159	135 Å²	135	60%	0.6	75%	0.748	S	S	*	*			trans	-73	124.6	167.9	-149.5	-179.2	-163	-151.8	5.3	108.4	T123 K127 D595	T123-R125 PolarHBondContact O-N 3.3Å; R125-K127 PolarHBondContact O-N 2.75Å; R125-D595 IonicContact CZ-OD1 3.73Å; R125-D595 IonicContact NH1-OD1 2.84Å; R125-D595 PolarHBondContact NH1-OD1 2.72Å; R125-D595 IonicContact NH1-OD2 3.78Å; R125-D595 PolarHBondContact NH1-OD2 2.93Å; R125-D595 IonicContact NH2-OD1 3.9Å
126	P	36.1	Very low	36.1	Very low	98 Å²	98	135.2 Å²	135.2	64%	0.636	75%	0.746	S	S	*	*			trans	-62.9	136.4	179	25.4	-33.4	0	0	0	110.4	R128	P126-R128 PolarHBondContact O-N 2.66Å
127	K	36.4	Very low	36.4	Very low	211 Å²	211	139.2 Å²	139.2	92%	0.917	75%	0.747	S	S	*	*			trans	-71	96	-173.7	-67.7	-172.3	176.8	-173.2	0	111.5	R125	R125-K127 PolarHBondContact O-N 2.75Å
128	R	54	Low	36.4	Very low	91 Å²	91	139.6 Å²	139.6	34%	0.343	74%	0.739	S	S	.	*			trans	-56.2	138.3	166.1	-72.7	-179.1	167.2	156.1	-4	109.8	P126 T130 D577 D595 I610	P126-R128 PolarHBondContact O-N 2.66Å; R128-T130 PolarHBondContact O-N 3.47Å; R128-D577 IonicContact CZ-OD2 3.98Å; R128-D577 IonicContact NE-OD2 3.54Å; R128-D577 IonicContact NH2-OD2 2.9Å; R128-D577 PolarHBondContact NH2-OD2 3.35Å; R128-D595 IonicContact NH1-OD2 3.63Å; R128-I610 VanDerWaalsContact NH2-CD1 3.26Å
129	P	38.2	Very low	36.4	Very low	118 Å²	118	139.7 Å²	139.7	77%	0.766	74%	0.74	S	S	*	*			trans	-76.9	91.8	-170.7	29.8	-35.3	0	0	0	112.7	T131	P129-T131 VanDerWaalsContact C-N 3.35Å; P129-T131 PolarHBondContact O-N 3.13Å
130	T	46.8	Very low	36.6	Very low	130 Å²	130	144.6 Å²	144.6	80%	0.798	75%	0.745	S	S	*	*			trans	-74	78.3	174.4	41.7	0	0	0	0	112.4	R128	R128-T130 PolarHBondContact O-N 3.47Å
131	T	43.1	Very low	36.6	Very low	107 Å²	107	144.4 Å²	144.4	66%	0.656	75%	0.749	S	S	*	*			trans	-163	97.3	159.1	2	0	0	0	0	112.4	P129 N133	P129-T131 VanDerWaalsContact C-N 3.35Å; P129-T131 PolarHBondContact O-N 3.13Å; T131-N133 PolarHBondContact O-N 2.88Å; T131-N133 VanDerWaalsContact O-N 3.12Å; T131-N133 PolarHBondContact O-ND2 2.77Å
132	L	34.9	Very low	36.5	Very low	149 Å²	149	145 Å²	145	78%	0.78	75%	0.749	S	S	*	*			trans	-78.8	92.9	169.1	-155.6	163.8	0	0	0	108.4	L134	L132-L134 HydrophobicContact CD2-CD1 4.29Å; L132-L134 HydrophobicContact CD2-CD2 3.61Å; L132-L134 HydrophobicContact CD2-CG 3.62Å; L132-L134 PolarHBondContact O-N 3.49Å
133	N	36.4	Very low	36.5	Very low	129 Å²	129	145 Å²	145	69%	0.69	75%	0.749	S	S	*	*			trans	-72.4	85.4	-173	-83	-78.6	0	0	0	112.6	T131 F135	T131-N133 PolarHBondContact O-N 2.88Å; T131-N133 VanDerWaalsContact O-N 3.12Å; T131-N133 PolarHBondContact O-ND2 2.77Å; N133-F135 VanDerWaalsContact C-N 3.27Å; N133-F135 PolarHBondContact O-N 2.89Å
134	L	34.9	Very low	36.2	Very low	142 Å²	142	143.5 Å²	143.5	74%	0.743	74%	0.74	S	S	*	*			trans	-81.3	62.5	173.3	-67.3	176.5	0	0	0	112.8	L132	L132-L134 HydrophobicContact CD2-CD1 4.29Å; L132-L134 HydrophobicContact CD2-CD2 3.61Å; L132-L134 HydrophobicContact CD2-CG 3.62Å; L132-L134 PolarHBondContact O-N 3.49Å
135	F	33.1	Very low	36.4	Very low	180 Å²	180	140.4 Å²	140.4	79%	0.789	74%	0.737	S	S	*	*	S	Bend	trans	-138.4	127.8	165.5	-76.4	-71.4	0	0	0	111.3	N133 I137	N133-F135 VanDerWaalsContact C-N 3.27Å; N133-F135 PolarHBondContact O-N 2.89Å; F135-I137 PolarHBondContact O-N 2.92Å
136	P	34.6	Very low	36.1	Very low	119 Å²	119	140.2 Å²	140.2	77%	0.773	75%	0.748	S	S	*	*			trans	-62.2	125.7	172.8	-22.4	33.8	0	0	0	111.4	V138	P136-V138 PolarHBondContact O-N 2.82Å
137	I	32.5	Very low	35.9	Very low	164 Å²	164	141.3 Å²	141.3	84%	0.841	75%	0.749	S	S	*	*			trans	-72.3	99.8	176.5	-60.8	175	0	0	0	108.8	F135 P139	F135-I137 PolarHBondContact O-N 2.92Å; I137-P139 WeakPolarHBondContact O-CD 3.22Å
138	V	35.9	Very low	35.7	Very low	102 Å²	102	137.7 Å²	137.7	62%	0.618	74%	0.739	S	S	*	*			trans	-85.2	118.5	168.6	179.9	0	0	0	0	108.7	P136 R140	P136-V138 PolarHBondContact O-N 2.82Å; V138-R140 PolarHBondContact O-N 3.38Å
139	P	34.1	Very low	34.6	Very low	122 Å²	122	138.5 Å²	138.5	79%	0.792	76%	0.759	S	S	*	*			trans	-67.9	107.8	174.1	-15.6	30.2	0	0	0	109.7	I137	I137-P139 WeakPolarHBondContact O-CD 3.22Å
140	R	32.1	Very low	34.3	Very low	227 Å²	227	142.5 Å²	142.5	86%	0.857	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-96	119	168.3	-83.9	-167.1	164.9	110.9	-0.2	110.3	V138	V138-R140 PolarHBondContact O-N 3.38Å
141	S	33.4	Very low	33.4	Very low	116 Å²	116	139.5 Å²	139.5	81%	0.811	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-58.5	133.8	167.8	48.4	0	0	0	0	110.7
142	Q	30.2	Very low	32.7	Very low	184 Å²	184	144.6 Å²	144.6	86%	0.86	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-72.7	120.6	174.4	177.5	-178.4	11.9	0	0	110
143	D	32.6	Very low	32.6	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	77%	0.771	S	S	*	*			trans	-148.9	171.1	163.1	-133.3	-36.7	0	0	0	112.3
144	T	35.4	Very low	32.5	Very low	104 Å²	104	149.7 Å²	149.7	64%	0.638	78%	0.778	S	S	*	*			trans	-126	164.4	-137.8	56.1	0	0	0	0	117.9
145	L	33.8	Very low	32.2	Very low	149 Å²	149	146.8 Å²	146.8	78%	0.78	77%	0.769	S	S	*	*			trans	94.3	114.9	157.3	-57.2	176.8	0	0	0	121.6
146	N	30.1	Very low	31.8	Very low	156 Å²	156	148.6 Å²	148.6	83%	0.834	77%	0.771	S	S	*	*			trans	78	166.2	134.1	107.5	113.3	0	0	0	122.6
147	N	32.3	Very low	31.7	Very low	121 Å²	121	150.3 Å²	150.3	65%	0.647	77%	0.769	S	S	*	*				-170.2	140	-59	-170.3	14.5	0	0	0	109.8
148	N	31.9	Very low	31.7	Very low	134 Å²	134	149.2 Å²	149.2	72%	0.717	76%	0.76	S	S	*	*			trans	62.3	162.9	177.8	-64.3	-46.1	0	0	0	115.3
149	S	31.1	Very low	31.6	Very low	109 Å²	109	151.9 Å²	151.9	76%	0.762	76%	0.764	S	S	*	*			cis	-146.8	177.3	10.7	-154.2	0	0	0	0	114.2
150	F	31.1	Very low	31.5	Very low	201 Å²	201	151.9 Å²	151.9	88%	0.882	76%	0.761	S	S	*	*			trans	-71.2	161.2	180	-73.1	-115.1	0	0	0	114.4
151	G	27.5	Very low	31.5	Very low	67 Å²	67	146.7 Å²	146.7	69%	0.691	76%	0.76	S	S	*	*			trans	163.8	79	137.9	0	0	0	0	0	124
152	K	29.5	Very low	31.2	Very low	215 Å²	215	145 Å²	145	94%	0.935	76%	0.76	S	S	*	*			trans	69.4	178.2	139.9	-63.5	-178.7	177.8	177.7	0	119.8
153	K	33	Very low	31	Very low	173 Å²	173	141.1 Å²	141.1	75%	0.752	75%	0.753	S	S	*	*			trans	-119.5	-179.9	-163.8	-54.2	178.8	179.1	-175.7	0	111.6
154	Y	34.4	Very low	31.1	Very low	211 Å²	211	137.6 Å²	137.6	83%	0.827	74%	0.74	S	S	*	*			trans	77.8	151.5	167.6	-54.4	-72.1	0	0	0	115
155	S	27.3	Very low	31.1	Very low	81 Å²	81	135.4 Å²	135.4	57%	0.566	73%	0.729	S	S	*	*			cis	-173.7	173.3	-18.2	176.1	0	0	0	0	108.9
156	W	26.1	Very low	32.2	Very low	219 Å²	219	132.3 Å²	132.3	83%	0.83	72%	0.718	S	S	*	*			trans	93.5	146.1	158.1	-60	106.8	0	0	0	120.3
157	Q	32.1	Very low	32.7	Very low	155 Å²	155	129.6 Å²	129.6	72%	0.724	70%	0.703	S	S	*	*			trans	-57.4	165.5	167.8	-57.9	160.2	1.7	0	0	109.8
158	E	32.5	Very low	32.9	Very low	140 Å²	140	129.6 Å²	129.6	65%	0.654	70%	0.697	S	S	*	*				-179.3	130.1	67	174.3	165.6	-141.8	0	0	113
159	K	34.4	Very low	33.1	Very low	159 Å²	159	127.8 Å²	127.8	69%	0.691	69%	0.691	S	S	*	*			trans	40.6	177.9	142.9	-51.6	165	-159.4	155	0	119.7
160	V	31.8	Very low	33.1	Very low	122 Å²	122	125.5 Å²	125.5	74%	0.739	69%	0.685	S	S	*	*			cis	-152.1	162.5	5.1	-142.5	0	0	0	0	110.4
161	S	30.4	Very low	33.1	Very low	118 Å²	118	121.4 Å²	121.4	83%	0.825	67%	0.672	S	S	*	*			trans	71.5	152.7	149.9	-60.9	0	0	0	0	119.6
162	G	26.9	Very low	33.3	Very low	79 Å²	79	126.1 Å²	126.1	81%	0.814	68%	0.68	S	S	*	*			cis	-171.6	179.5	0.7	0	0	0	0	0	112.8
163	S	27.8	Very low	33.4	Very low	104 Å²	104	122 Å²	122	73%	0.727	67%	0.673	S	S	*	*			trans	-122.4	153.9	-159.3	63.7	0	0	0	0	117.7
164	S	34	Very low	35.1	Very low	73 Å²	73	119 Å²	119	51%	0.51	67%	0.672	S	S	.	*			trans	72.5	143.5	135.9	58.9	0	0	0	0	123.7	K409	S164-K409 WeakPolarHBondContact CB-O 3.24Å; S164-K409 PolarHBondContact OG-O 2.82Å
165	S	35.5	Very low	36.2	Very low	57 Å²	57	114.1 Å²	114.1	40%	0.399	67%	0.666	S	S	.	*			trans	-95.7	-160.4	-173.5	65.8	0	0	0	0	116.6	M410 K411	S165-M410 WeakPolarHBondContact O-CB 3.43Å; S165-M410 WeakPolarHBondContact O-CG 3.45Å; S165-K411 PolarHBondContact OG-N 3.2Å; S165-K411 PolarHBondContact OG-O 3.21Å
166	P	57.6	Low	36.5	Very low	84 Å²	84	120.2 Å²	120.2	55%	0.545	68%	0.677	S	S	.	*				-167.7	158.3	124.2	39.6	-17.9	0	0	0	122.8	M410	P166-M410 HydrophobicContact CB-CB 4.3Å; P166-M410 HydrophobicContact CB-CE 4.3Å; P166-M410 HydrophobicContact CB-CG 3.96Å; P166-M410 HydrophobicContact CB-SD 3.77Å; P166-M410 HydrophobicContact CG-SD 4.26Å
167	L	39.2	Very low	36.8	Very low	99 Å²	99	115.1 Å²	115.1	52%	0.518	66%	0.662	S	S	.	*			trans	71.7	164.3	136.3	-77.9	167.6	0	0	0	123.8	K411	L167-K411 HydrophobicContact CD2-CD 3.74Å; L167-K411 HydrophobicContact CG-CD 4.24Å
168	K	37.9	Very low	37	Very low	121 Å²	121	116.1 Å²	116.1	53%	0.526	67%	0.666	S	S	.	*			cis	-118.8	-91	15.3	-169.6	-148.8	164.6	-162.2	0	119.9	D171	K168-D171 IonicContact NZ-OD1 2.66Å; K168-D171 PolarHBondContact NZ-OD1 2.91Å; K168-D171 IonicContact NZ-OD2 2.74Å; K168-D171 PolarHBondContact NZ-OD2 3.3Å
169	T	34.3	Very low	36.8	Very low	96 Å²	96	113.7 Å²	113.7	59%	0.589	67%	0.665	S	S	*	*			trans	-49.7	160.8	-134.2	16.3	0	0	0	0	120.4
170	G	31.8	Very low	36.5	Very low	61 Å²	61	111.4 Å²	111.4	63%	0.629	67%	0.668	S	S	*	*			cis	104.7	154	-1.8	0	0	0	0	0	116
171	D	31.4	Very low	36.4	Very low	115 Å²	115	113.2 Å²	113.2	62%	0.615	67%	0.672	S	S	*	*			cis	-162	-177.8	-2.2	-49.1	-84	0	0	0	112	K168	K168-D171 IonicContact NZ-OD1 2.66Å; K168-D171 PolarHBondContact NZ-OD1 2.91Å; K168-D171 IonicContact NZ-OD2 2.74Å; K168-D171 PolarHBondContact NZ-OD2 3.3Å
172	L	31	Very low	36.3	Very low	166 Å²	166	111.7 Å²	111.7	87%	0.869	66%	0.661	S	S	*	*			trans	76.2	156.9	177.9	-54.7	-175.1	0	0	0	120.4
173	T	32.1	Very low	36.4	Very low	128 Å²	128	114.6 Å²	114.6	79%	0.785	66%	0.658	S	S	*	*				-154.2	165.1	-75.9	19.9	0	0	0	0	113.6
174	P	68.9	Low	36.5	Very low	112 Å²	112	117.8 Å²	117.8	73%	0.727	66%	0.662	S	S	*	*			trans	-114.3	-168.6	-156.6	46.3	-38.9	0	0	0	116.6
175	P	56.6	Low	36.4	Very low	108 Å²	108	119.5 Å²	119.5	70%	0.701	67%	0.665	S	S	*	*				-158.2	154.1	86.9	41.4	-21.1	0	0	0	120.7
176	R	34.8	Very low	36.1	Very low	209 Å²	209	124.3 Å²	124.3	79%	0.789	68%	0.679	S	S	*	*			trans	59.8	152.5	139.1	-70.3	-179.9	165.1	-125.7	-2.2	121.6
177	E	32.3	Very low	34.6	Very low	111 Å²	111	125.7 Å²	125.7	52%	0.519	69%	0.686	S	S	.	*			cis	-164.5	160	-5.9	-121.8	158.6	-172.6	0	0	115.2
178	H	35.2	Very low	34.1	Very low	176 Å²	176	129.4 Å²	129.4	82%	0.815	70%	0.7	S	S	*	*			trans	72.2	115.7	149.6	-66.8	-49.3	0	0	0	126.7
179	S	29	Very low	33.5	Very low	89 Å²	89	127.7 Å²	127.7	62%	0.622	72%	0.717	S	S	*	*				83.6	115.6	117	-60.8	0	0	0	0	126.1
180	C	28.1	Very low	33.1	Very low	112 Å²	112	126.7 Å²	126.7	76%	0.757	73%	0.726	S	S	*	*				81.9	125.4	119.5	-64.1	0	0	0	0	125.6
181	L	30.6	Very low	33	Very low	160 Å²	160	128.8 Å²	128.8	84%	0.838	74%	0.737	S	S	*	*			trans	90.6	139.3	132	-74.3	170.8	0	0	0	124.4
182	S	26.7	Very low	33	Very low	85 Å²	85	127.4 Å²	127.4	59%	0.594	74%	0.742	S	S	*	*			trans	70	115.4	135.3	65.3	0	0	0	0	123.7
183	D	29.7	Very low	33	Very low	140 Å²	140	128.1 Å²	128.1	75%	0.749	74%	0.741	S	S	*	*				69.6	132.9	111.2	-51.4	-39.9	0	0	0	124.8
184	E	30.6	Very low	32.8	Very low	172 Å²	172	126.9 Å²	126.9	80%	0.804	73%	0.733	S	S	*	*			trans	71.9	156.6	132.7	-75.1	-168.5	120.8	0	0	125.3
185	D	30.5	Very low	31.3	Very low	109 Å²	109	130.7 Å²	130.7	58%	0.583	74%	0.738	S	S	*	*			trans	86.2	102.6	147.1	-100.3	17.8	0	0	0	124.5
186	K	29.2	Very low	30.2	Very low	158 Å²	158	132.3 Å²	132.3	69%	0.687	74%	0.741	S	S	*	*				59.4	143.5	109.3	-79.6	-170.3	-159.1	87.4	0	122.8
187	V	27.5	Very low	30.4	Very low	113 Å²	113	133.8 Å²	133.8	69%	0.685	75%	0.747	S	S	*	*			trans	77.4	94.8	135.4	171.1	0	0	0	0	119.4
188	Q	28	Very low	30.4	Very low	177 Å²	177	131.5 Å²	131.5	83%	0.827	75%	0.752	S	S	*	*				68	93.3	110.2	-159.7	175.5	5.8	0	0	121.3
189	G	25.8	Very low	30.5	Very low	84 Å²	84	129.8 Å²	129.8	87%	0.866	76%	0.755	S	S	*	*			trans	77.1	165.8	138.1	0	0	0	0	0	118.3
190	G	26	Very low	30.9	Very low	76 Å²	76	130.2 Å²	130.2	78%	0.784	76%	0.758	S	S	*	*			trans	155	-5.2	167	0	0	0	0	0	122.8
191	A	29.7	Very low	31.3	Very low	105 Å²	105	130.7 Å²	130.7	87%	0.868	76%	0.757	S	S	*	*			trans	62.5	165.1	164.2	0	0	0	0	0	121.3
192	A	30.9	Very low	31.4	Very low	86 Å²	86	130.4 Å²	130.4	71%	0.711	76%	0.756	S	S	*	*			trans	95.8	127.6	146.5	0	0	0	0	0	122.1
193	Q	31.2	Very low	32	Very low	180 Å²	180	129.6 Å²	129.6	84%	0.841	76%	0.755	S	S	*	*			trans	70.8	157.1	148.1	-71.1	-173.4	35.4	0	0	120.1
194	T	28.5	Very low	33.2	Very low	102 Å²	102	129 Å²	129	63%	0.626	76%	0.759	S	S	*	*			cis	-168.5	170.6	-45.7	32.6	0	0	0	0	108.4
195	K	36.3	Very low	33.7	Very low	192 Å²	192	126 Å²	126	84%	0.835	76%	0.756	S	S	*	*			trans	81.4	154.4	163	-61.8	173.7	-175.1	169.4	0	117.3
196	D	33.4	Very low	34	Very low	143 Å²	143	131 Å²	131	77%	0.765	77%	0.766	S	S	*	*			cis	-172.5	171.8	-27.5	-170.1	16.2	0	0	0	108.6
197	R	38.4	Very low	34.2	Very low	240 Å²	240	130.4 Å²	130.4	91%	0.906	77%	0.765	S	S	*	*			trans	86	134.9	177.1	-54.4	172.1	168.8	175.9	-4.5	115.8
198	G	33.6	Very low	34.4	Very low	62 Å²	62	129.5 Å²	129.5	64%	0.639	76%	0.764	S	S	*	*			cis	155.6	154.5	-11.6	0	0	0	0	0	114.6
199	T	37.8	Very low	34.8	Very low	141 Å²	141	129.8 Å²	129.8	87%	0.865	77%	0.765	S	S	*	*			trans	66.3	142.7	174.9	62.9	0	0	0	0	116.4
200	S	36.5	Very low	34.9	Very low	98 Å²	98	132.8 Å²	132.8	69%	0.685	77%	0.767	S	S	*	*			cis	-175.8	167.9	-6	-95.4	0	0	0	0	107.4
201	T	36.9	Very low	35.4	Very low	121 Å²	121	135.3 Å²	135.3	74%	0.742	77%	0.772	S	S	*	*			cis	-174.5	153.7	-7.4	25.8	0	0	0	0	105.9
202	D	33	Very low	35.3	Very low	154 Å²	154	133.4 Å²	133.4	82%	0.824	76%	0.763	S	S	*	*			cis	-154	-150.3	-6.6	-157	-95.5	0	0	0	108.5
203	A	38.6	Very low	35.3	Very low	68 Å²	68	138 Å²	138	56%	0.562	77%	0.77	S	S	*	*			trans	-123.3	-171.5	-176.5	0	0	0	0	0	114
204	P	55.3	Low	35.3	Very low	128 Å²	128	133.2 Å²	133.2	83%	0.831	76%	0.756	S	S	*	*				-145.4	-158.6	83.9	40.1	-22.6	0	0	0	113.7
205	C	40	Very low	35.4	Very low	109 Å²	109	136.8 Å²	136.8	74%	0.736	77%	0.765	S	S	*	*				-169.6	176.9	-80.1	-94	0	0	0	0	110.1
206	R	36.6	Very low	35.1	Very low	215 Å²	215	132.4 Å²	132.4	81%	0.811	76%	0.759	S	S	*	*			trans	87.7	137.6	-179.4	-57.5	-177.2	-179.9	-105.9	3.9	114.7
207	H	34.6	Very low	35	Very low	144 Å²	144	130.4 Å²	130.4	67%	0.667	76%	0.756	S	S	*	*			cis	-163.7	169.5	-2.9	-97.2	-40.8	0	0	0	108.1
208	S	32	Very low	34.7	Very low	94 Å²	94	123.7 Å²	123.7	66%	0.657	75%	0.746	S	S	*	*			cis	-175.1	-176.4	-33.2	-92.9	0	0	0	0	108.8
209	H	35.1	Very low	34.6	Very low	184 Å²	184	126.5 Å²	126.5	85%	0.852	76%	0.756	S	S	*	*			trans	-114.8	169.2	-171.3	-31	-98.6	0	0	0	114.4
210	T	28.7	Very low	34.2	Very low	147 Å²	147	123.6 Å²	123.6	90%	0.902	75%	0.754	S	S	*	*			trans	-146.2	153.4	147.5	46.4	0	0	0	0	111.8
211	S	35.6	Very low	33.9	Very low	128 Å²	128	124 Å²	124	90%	0.895	76%	0.763	S	S	*	*			trans	-143.7	161.7	179	55.1	0	0	0	0	111
212	G	28.2	Very low	33.8	Very low	66 Å²	66	122.4 Å²	122.4	68%	0.68	76%	0.763	S	S	*	*			trans	172.8	114.6	173.8	0	0	0	0	0	119.7
213	H	32	Very low	33.9	Very low	181 Å²	181	121.5 Å²	121.5	84%	0.838	76%	0.763	S	S	*	*			trans	41.3	106.3	137.1	-64.7	-70.2	0	0	0	124.6
214	S	30.4	Very low	33.7	Very low	80 Å²	80	129.2 Å²	129.2	56%	0.559	78%	0.778	S	S	*	*				23.1	126.3	113.3	59.2	0	0	0	0	122.4
215	H	30.7	Very low	32.6	Very low	177 Å²	177	127.8 Å²	127.8	82%	0.819	77%	0.77	S	S	*	*				148.9	136.5	121.5	-81.3	-69.7	0	0	0	117.2
216	S	29.4	Very low	32.3	Very low	100 Å²	100	131.9 Å²	131.9	70%	0.699	78%	0.776	S	S	*	*			trans	55.3	111.5	139.7	69.5	0	0	0	0	124.8
217	S	31.6	Very low	32.1	Very low	102 Å²	102	128.8 Å²	128.8	71%	0.713	77%	0.774	S	S	*	*				66.8	134	121.2	68.5	0	0	0	0	125.5
218	S	32	Very low	31.8	Very low	99 Å²	99	129 Å²	129	69%	0.692	78%	0.776	S	S	*	*			trans	88.5	124.2	131.3	66	0	0	0	0	123.4
219	S	31.5	Very low	31.7	Very low	120 Å²	120	132.7 Å²	132.7	84%	0.839	78%	0.783	S	S	*	*			trans	49.1	133.4	141.9	58.3	0	0	0	0	121.2
220	G	29.6	Very low	31.5	Very low	81 Å²	81	133.1 Å²	133.1	84%	0.835	78%	0.782	S	S	*	*			cis	133.7	128.9	13.9	0	0	0	0	0	112
221	A	30.9	Very low	32.7	Very low	105 Å²	105	131.5 Å²	131.5	87%	0.868	77%	0.774	S	S	*	*			trans	-168.8	161.3	163.7	0	0	0	0	0	110.3
222	A	34.3	Very low	33	Very low	89 Å²	89	131.3 Å²	131.3	74%	0.736	77%	0.77	S	S	*	*				176.6	113.9	-60.7	0	0	0	0	0	110.2
223	T	35	Very low	33.1	Very low	135 Å²	135	136.8 Å²	136.8	83%	0.828	78%	0.778	S	S	*	*			trans	-179.9	116.4	156.5	15.2	0	0	0	0	109.3
224	R	34.3	Very low	34.2	Very low	230 Å²	230	133 Å²	133	87%	0.868	77%	0.769	S	S	*	*				62.8	126.9	94.8	-76	-168.5	101	171.9	7.8	115.2
225	S	32.2	Very low	34.7	Very low	97 Å²	97	135 Å²	135	68%	0.678	78%	0.78	S	S	*	*			cis	-158.1	156.7	-1.7	-57	0	0	0	0	114.3
226	K	33.7	Very low	35.6	Very low	196 Å²	196	132.4 Å²	132.4	85%	0.852	78%	0.779	S	S	*	*			trans	-16.7	154.2	144.7	-76.4	178.5	165.1	-174.2	0	117
227	L	31.5	Very low	37	Very low	149 Å²	149	132.7 Å²	132.7	78%	0.78	78%	0.778	S	S	*	*			cis	-153.3	-177.7	37.5	-85.7	98.5	0	0	0	110.2
228	Q	29.4	Very low	36.9	Very low	150 Å²	150	137.1 Å²	137.1	70%	0.701	79%	0.788	S	S	*	*			cis	-175.5	165.3	-28.6	177.5	171.3	-70.9	0	0	110.2
229	E	30.1	Very low	37	Very low	171 Å²	171	139.3 Å²	139.3	80%	0.799	79%	0.792	S	S	*	*			trans	81.2	155.5	158.1	-104.5	162.5	116.3	0	0	122.6
230	K	29.7	Very low	36.8	Very low	193 Å²	193	144.4 Å²	144.4	84%	0.839	79%	0.794	S	S	*	*			trans	-169.1	113	-174.8	175.2	-166.3	166.2	-175.3	0	114.4
231	P	55.2	Low	37	Very low	113 Å²	113	146.6 Å²	146.6	73%	0.734	79%	0.791	S	S	*	*			trans	-111.1	-161.3	134.1	-14.8	34.5	0	0	0	111.6
232	P	41.1	Very low	37.6	Very low	124 Å²	124	147.5 Å²	147.5	81%	0.805	79%	0.789	S	S	*	*			cis	-125	-148.5	-16.1	42.4	-25.3	0	0	0	112.1
233	Q	30	Very low	37.5	Very low	181 Å²	181	147.5 Å²	147.5	85%	0.846	79%	0.789	S	S	*	*			trans	-145.9	-165.8	163	-138.7	-161.7	-14.6	0	0	110.8
234	P	55.7	Low	38.3	Very low	101 Å²	101	146.5 Å²	146.5	66%	0.656	78%	0.784	S	S	*	*			trans	-93.7	-177.8	-138.6	46.7	-36.3	0	0	0	115.1
235	P	41.3	Very low	38	Very low	122 Å²	122	143.5 Å²	143.5	79%	0.792	78%	0.784	S	S	*	*				-157	-142.2	82.4	50.4	-27	0	0	0	114.5
236	P	49.2	Very low	37.8	Very low	122 Å²	122	149.5 Å²	149.5	79%	0.792	79%	0.794	S	S	*	*			trans	-128.6	-119.2	-136.3	29.4	2.2	0	0	0	118.9
237	P	57.9	Low	38.4	Very low	106 Å²	106	145 Å²	145	69%	0.688	78%	0.784	S	S	*	*				-130.2	-178.2	-116.6	43.8	-25.6	0	0	0	118.3
238	Q	31.1	Very low	38.2	Very low	196 Å²	196	144.7 Å²	144.7	92%	0.916	79%	0.789	S	S	*	*			trans	-147.9	172.1	163.5	-73.5	-156.5	-8.9	0	0	114.5
239	N	33.8	Very low	38	Very low	145 Å²	145	140.9 Å²	140.9	78%	0.775	79%	0.79	S	S	*	*			trans	-117.1	166.3	-159.2	-51.2	-44.3	0	0	0	115.8
240	Y	27.8	Very low	37.9	Very low	227 Å²	227	142.2 Å²	142.2	89%	0.89	79%	0.793	S	S	*	*				173.1	162.1	116.5	-104.3	-78.1	0	0	0	114.2
241	T	32.5	Very low	37.7	Very low	126 Å²	126	138.6 Å²	138.6	77%	0.773	79%	0.787	S	S	*	*			trans	-137.9	159.8	179	-15.2	0	0	0	0	110.2
242	P	44.3	Very low	36.3	Very low	125 Å²	125	139.8 Å²	139.8	81%	0.812	79%	0.788	S	S	*	*				-151	-174.7	85.4	39.9	-19.8	0	0	0	116.3
243	A	32.1	Very low	35.5	Very low	89 Å²	89	138.7 Å²	138.7	74%	0.736	78%	0.783	S	S	*	*			trans	-106.5	-167.2	174.3	0	0	0	0	0	110.4
244	P	51.8	Low	35.4	Very low	113 Å²	113	135.9 Å²	135.9	73%	0.734	78%	0.783	S	S	*	*			cis	-140.9	-170.1	7.4	41.9	-20.6	0	0	0	116.5
245	L	28.3	Very low	34	Very low	167 Å²	167	134.8 Å²	134.8	87%	0.874	79%	0.79	S	S	*	*			trans	144.5	148.2	142.3	-75.9	172.1	0	0	0	115.1
246	Y	27.2	Very low	33.4	Very low	223 Å²	223	137.1 Å²	137.1	88%	0.875	79%	0.79	S	S	*	*			trans	-98.3	-175.7	166.1	-75.7	-83.3	0	0	0	109.6
247	P	46.6	Very low	32.4	Very low	101 Å²	101	140.9 Å²	140.9	66%	0.656	79%	0.788	S	S	*	*			cis	-139.2	-179.5	1.5	37.4	-15.7	0	0	0	117.6
248	T	27.2	Very low	31	Very low	144 Å²	144	144.3 Å²	144.3	88%	0.883	80%	0.795	S	S	*	*			trans	59.8	141.7	146.4	47.1	0	0	0	0	124.4
249	G	26	Very low	30.9	Very low	69 Å²	69	144.4 Å²	144.4	71%	0.711	79%	0.793	S	S	*	*			trans	129.5	100.4	161.8	0	0	0	0	0	112.4
250	K	26.3	Very low	30.8	Very low	199 Å²	199	144.4 Å²	144.4	87%	0.865	79%	0.791	S	S	*	*				74.1	134.3	71.8	-79.8	-163.1	173.7	-173.3	0	115.3
251	T	26	Very low	30.7	Very low	117 Å²	117	144.8 Å²	144.8	72%	0.718	79%	0.791	S	S	*	*			trans	63.7	143.9	160.8	56.6	0	0	0	0	118.5
252	D	25.6	Very low	30.4	Very low	139 Å²	139	147.3 Å²	147.3	74%	0.743	79%	0.793	S	S	*	*			cis	-163.4	149.3	-12.7	-110.6	-20.2	0	0	0	115.1
253	S	24.7	Very low	29.5	Very low	101 Å²	101	148.5 Å²	148.5	71%	0.706	79%	0.788	S	S	*	*			trans	66.9	148.3	142.3	78.5	0	0	0	0	123.8
254	S	27.8	Very low	29.2	Very low	122 Å²	122	148.3 Å²	148.3	85%	0.853	79%	0.787	S	S	*	*			trans	66.6	132.2	163.4	74.8	0	0	0	0	119.2
255	G	26.7	Very low	28	Very low	77 Å²	77	149.1 Å²	149.1	79%	0.794	79%	0.785	S	S	*	*			cis	139.6	126.3	-24.5	0	0	0	0	0	115.8
256	H	28.4	Very low	27.9	Very low	172 Å²	172	146.8 Å²	146.8	80%	0.796	78%	0.777	S	S	*	*			trans	-159.1	113.8	148.8	-151.9	54.9	0	0	0	113.8
257	R	27.3	Very low	27.8	Very low	200 Å²	200	144 Å²	144	76%	0.755	77%	0.772	S	S	*	*			trans	20.6	116.5	137.5	-163.4	-164.9	-150.6	-158.7	8.5	119.2
258	E	29.1	Very low	26.9	Very low	179 Å²	179	146.6 Å²	146.6	84%	0.836	78%	0.78	S	S	*	*				-161.2	167.1	109.4	-113.2	175.2	-169.8	0	0	113.9
259	K	29.3	Very low	26.8	Very low	197 Å²	197	147.3 Å²	147.3	86%	0.857	77%	0.773	S	S	*	*			trans	-81	154.1	-179.5	-65.6	-179.5	178.5	-178.5	0	108.7
260	I	31.2	Very low	27	Very low	145 Å²	145	149.3 Å²	149.3	74%	0.744	77%	0.773	S	S	*	*				-150.5	140.7	63.5	-73.9	147.8	0	0	0	110.6
261	R	25.6	Very low	27.2	Very low	235 Å²	235	145.7 Å²	145.7	89%	0.887	77%	0.768	S	S	*	*			trans	-112.9	128.8	152.7	-76.1	-174.9	177.5	-178.5	-0.5	107.7
262	H	26.9	Very low	27.7	Very low	179 Å²	179	146.6 Å²	146.6	83%	0.829	76%	0.764	S	S	*	*			trans	-110.6	118.9	149.6	-87.5	-79.7	0	0	0	107.6
263	Q	25.4	Very low	28.4	Very low	151 Å²	151	146.9 Å²	146.9	71%	0.706	76%	0.761	S	S	*	*			trans	-86.9	126.2	173.6	178.1	171.2	-18.8	0	0	107	D265	Q263-D265 VanDerWaalsContact CG-OD2 3.28Å; Q263-D265 WeakPolarHBondContact CG-OD2 3.43Å; Q263-D265 PolarHBondContact NE2-OD2 3.27Å
264	A	26	Very low	29.5	Very low	85 Å²	85	145.7 Å²	145.7	70%	0.702	75%	0.746	S	S	*	*			trans	-125.4	80	177	0	0	0	0	0	108	V266	A264-V266 VanDerWaalsContact C-N 3.27Å; A264-V266 PolarHBondContact O-N 3.02Å
265	D	26.5	Very low	30.5	Very low	130 Å²	130	144.9 Å²	144.9	70%	0.695	73%	0.725	S	S	*	*			trans	-69.6	88.3	170.6	-73.6	-63.2	0	0	0	109.1	Q263 H267	Q263-D265 VanDerWaalsContact CG-OD2 3.28Å; Q263-D265 WeakPolarHBondContact CG-OD2 3.43Å; Q263-D265 PolarHBondContact NE2-OD2 3.27Å; D265-H267 PolarHBondContact O-N 3.44Å
266	V	26	Very low	31.4	Very low	118 Å²	118	143.7 Å²	143.7	72%	0.715	70%	0.7	S	S	*	*			trans	-74.7	103.9	169.4	179.6	0	0	0	0	107.5	A264 L268	A264-V266 VanDerWaalsContact C-N 3.27Å; A264-V266 PolarHBondContact O-N 3.02Å; V266-L268 PolarHBondContact O-N 2.81Å
267	H	24.7	Very low	31.7	Very low	163 Å²	163	139.9 Å²	139.9	76%	0.755	69%	0.689	S	S	*	*			trans	-60	98.2	173.3	-179.9	-73.3	0	0	0	110	D265 E269	D265-H267 PolarHBondContact O-N 3.44Å; H267-E269 PolarHBondContact O-N 3.08Å; H267-E269 VanDerWaalsContact O-N 3.14Å
268	L	27.8	Very low	31.8	Very low	157 Å²	157	135.1 Å²	135.1	82%	0.822	68%	0.684	S	S	*	*			trans	-71	105.5	172.8	-80	167.8	0	0	0	109.2	V266	V266-L268 PolarHBondContact O-N 2.81Å
269	E	25	Very low	31.9	Very low	158 Å²	158	130.4 Å²	130.4	74%	0.738	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-63.4	143.5	169.8	-131.3	-160.6	159.4	0	0	110.7	H267 T271	H267-E269 PolarHBondContact O-N 3.08Å; H267-E269 VanDerWaalsContact O-N 3.14Å; E269-T271 PolarHBondContact O-N 2.95Å
270	P	31.6	Very low	31.9	Very low	111 Å²	111	126.7 Å²	126.7	72%	0.721	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-68.5	116.4	173.2	-14.6	30.2	0	0	0	109.8	E272	P270-E272 PolarHBondContact O-N 2.93Å
271	T	30.5	Very low	31.7	Very low	123 Å²	123	128 Å²	128	76%	0.755	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-60.5	126	169.5	45.4	0	0	0	0	109.9	E269	E269-T271 PolarHBondContact O-N 2.95Å
272	E	35.8	Very low	31.7	Very low	136 Å²	136	122.2 Å²	122.2	64%	0.636	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-57.5	168.7	-173.7	-59.3	-178.2	156.6	0	0	114.8	P270 I274 R738	P270-E272 PolarHBondContact O-N 2.93Å; E272-I274 PolarHBondContact O-N 3.37Å; E272-R738 IonicContact OE2-CZ 3.41Å; E272-R738 IonicContact OE2-NH1 2.76Å; E272-R738 PolarHBondContact OE2-NH1 3.06Å
273	E	40.3	Very low	31.8	Very low	145 Å²	145	117.5 Å²	117.5	68%	0.678	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-53.6	116.3	-171.7	-61.1	174	168.8	0	0	113.2	Y275	E273-Y275 HydrophobicContact CB-CE1 4.02Å; E273-Y275 WeakPolarHBondContact O-CE2 3.33Å; E273-Y275 PolarHBondContact O-N 3.27Å
274	I	47.4	Very low	31.9	Very low	76 Å²	76	118 Å²	118	39%	0.39	64%	0.643	S	S	.	*			trans	-84	97.3	172.5	-57.1	-179.5	0	0	0	108.3	E272 L276	E272-I274 PolarHBondContact O-N 3.37Å; I274-L276 PolarHBondContact O-N 2.83Å
275	Y	49.7	Very low	32.1	Very low	106 Å²	106	119.6 Å²	119.6	42%	0.416	65%	0.646	S	S	.	*			trans	-58.4	122.1	-176.7	-53.3	-71.3	0	0	0	112.9	E273 H733	E273-Y275 HydrophobicContact CB-CE1 4.02Å; E273-Y275 WeakPolarHBondContact O-CE2 3.33Å; E273-Y275 PolarHBondContact O-N 3.27Å; Y275-H733 AromaticContact CD2-CD2 3.66Å; Y275-H733 AromaticContact CD2-CE1 3.98Å; Y275-H733 AromaticContact CD2-NE2 3.29Å; Y275-H733 VanDerWaalsContact CD2-NE2 3.29Å; Y275-H733 WeakPolarHBondContact CD2-NE2 3.4Å; Y275-H733 AromaticContact CE2-CE1 3.86Å; Y275-H733 AromaticContact CE2-NE2 3.63Å; Y275-H733 AromaticContact CG-NE2 3.92Å
276	L	45.3	Very low	32.2	Very low	52 Å²	52	121.6 Å²	121.6	27%	0.272	66%	0.656	S	S	.	*			trans	-124.9	95.6	166.7	-64.8	176.4	0	0	0	107	I274 P278 H707 F709	I274-L276 PolarHBondContact O-N 2.83Å; L276-P278 WeakPolarHBondContact O-CD 3.35Å; L276-H707 PolarHBondContact O-CE1 2.81Å; L276-H707 VanDerWaalsContact O-CE1 3.3Å; L276-H707 PolarHBondContact O-ND1 3.5Å; L276-F709 HydrophobicContact CD2-CE1 4.5Å; L276-F709 HydrophobicContact CD2-CZ 4.04Å
277	T	34.5	Very low	32.5	Very low	91 Å²	91	124.9 Å²	124.9	56%	0.558	66%	0.664	S	S	*	*			trans	-61.9	110.9	-177.4	34.4	0	0	0	0	110.8	H707	T277-H707 VanDerWaalsContact C-ND1 3.29Å; T277-H707 PolarHBondContact O-ND1 2.92Å
278	P	28.9	Very low	33.1	Very low	100 Å²	100	122.6 Å²	122.6	65%	0.649	66%	0.664	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.3	141.8	-177.5	-6.8	25.6	0	0	0	111.1	L276	L276-P278 WeakPolarHBondContact O-CD 3.35Å
279	V	30.9	Very low	33.5	Very low	80 Å²	80	121 Å²	121	49%	0.485	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.4	107.6	168	-176.5	0	0	0	0	108.8	S706	V279-S706 PolarHBondContact N-O 3.04Å
280	Q	30.9	Very low	33.5	Very low	119 Å²	119	120.1 Å²	120.1	56%	0.556	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-91.3	135.9	176.7	-168.1	81.2	31	0	0	109.4	N703	Q280-N703 PolarHBondContact NE2-OD1 2.85Å
281	R	26.3	Very low	33.4	Very low	174 Å²	174	120.9 Å²	120.9	66%	0.657	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-93.5	137.4	167.4	-79.6	175.8	165.2	159.3	-10.6	110.4	E704	R281-E704 IonicContact NH1-OE2 3.97Å
282	S	25.9	Very low	33.3	Very low	113 Å²	113	122.7 Å²	122.7	79%	0.79	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-68	153	167.5	38.7	0	0	0	0	111.2
283	A	28.1	Very low	32.9	Very low	79 Å²	79	123.8 Å²	123.8	65%	0.653	68%	0.675	S	S	*	*			trans	-144.9	127.9	169.5	0	0	0	0	0	108.3
284	D	27.1	Very low	32.3	Very low	161 Å²	161	127.7 Å²	127.7	86%	0.861	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-69.9	137.3	-173.2	-76.2	-50.6	0	0	0	113.8
285	P	31.9	Very low	32.2	Very low	119 Å²	119	128.9 Å²	128.9	77%	0.773	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-88.4	123.1	163.2	33.4	-29	0	0	0	111.2
286	L	28.8	Very low	30.9	Very low	172 Å²	172	133.7 Å²	133.7	90%	0.901	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-79	160.3	171.1	-70.4	170.8	0	0	0	112.5
287	E	30.9	Very low	30.1	Very low	188 Å²	188	138.7 Å²	138.7	88%	0.879	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-65.9	156.7	-166.1	-74.6	-167.6	112.8	0	0	117.2
288	P	38.4	Very low	29.8	Very low	115 Å²	115	138.6 Å²	138.6	75%	0.747	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-98	167.7	176.1	39.9	-36.1	0	0	0	114
289	P	35.9	Very low	29.8	Very low	124 Å²	124	141.3 Å²	141.3	81%	0.805	75%	0.753	S	S	*	*			trans	-116.3	107.1	161.6	34.6	-23.8	0	0	0	114.4
290	N	25.4	Very low	29.7	Very low	138 Å²	138	144.6 Å²	144.6	74%	0.738	76%	0.763	S	S	*	*				44.3	113.8	128.3	-179.9	22.9	0	0	0	121
291	V	28.8	Very low	29.5	Very low	128 Å²	128	145.3 Å²	145.3	78%	0.776	78%	0.776	S	S	*	*				-141	126.2	129.3	177.1	0	0	0	0	110.5
292	Q	28.5	Very low	30	Very low	161 Å²	161	145.2 Å²	145.2	75%	0.752	78%	0.783	S	S	*	*			trans	9.3	137.6	147.4	-59.3	161.9	-3.2	0	0	118
293	D	26.4	Very low	30.5	Very low	158 Å²	158	148 Å²	148	85%	0.845	78%	0.784	S	S	*	*				-164.9	175.8	62	-139.4	-22.5	0	0	0	115.6
294	R	27.5	Very low	30.6	Very low	228 Å²	228	148.2 Å²	148.2	86%	0.86	79%	0.793	S	S	*	*			trans	-158.1	162.2	-178.2	-145.8	-167.8	-169.7	-166.5	6.4	111.9
295	P	45.8	Very low	31.1	Very low	101 Å²	101	150 Å²	150	66%	0.656	79%	0.787	S	S	*	*				-108.6	179.3	-75.1	40	-28.3	0	0	0	112.1
296	F	23.6	Very low	30.8	Very low	207 Å²	207	152.8 Å²	152.8	91%	0.908	79%	0.792	S	S	*	*			trans	-166.9	162.5	134.9	-112.8	-72.7	0	0	0	113.1
297	L	28.5	Very low	31.1	Very low	156 Å²	156	149.3 Å²	149.3	82%	0.817	78%	0.783	S	S	*	*			trans	-101	153.9	-177.4	-73.2	149.9	0	0	0	112.4
298	S	27.8	Very low	31.3	Very low	90 Å²	90	148.6 Å²	148.6	63%	0.629	78%	0.783	S	S	*	*				160.7	156.9	113.4	63.7	0	0	0	0	115
299	Q	28.2	Very low	30.9	Very low	156 Å²	156	147.7 Å²	147.7	73%	0.729	78%	0.779	S	S	*	*			trans	69.8	150.7	160	-65.1	166.4	101.8	0	0	117.1
300	Q	28.3	Very low	31.4	Very low	150 Å²	150	147.4 Å²	147.4	70%	0.701	78%	0.78	S	S	*	*			cis	-153.1	129.8	-6.5	-115.4	161.3	12.3	0	0	106.8
301	T	28.5	Very low	32.2	Very low	133 Å²	133	147.5 Å²	147.5	82%	0.816	78%	0.781	S	S	*	*				90.1	142.1	82.6	-60.4	0	0	0	0	114.8
302	E	36.7	Very low	32.6	Very low	173 Å²	173	147.1 Å²	147.1	81%	0.808	78%	0.779	S	S	*	*			trans	-87	159.6	-167.1	-47.2	164.7	110.3	0	0	115.2
303	Q	36.2	Very low	32.9	Very low	172 Å²	172	148.7 Å²	148.7	80%	0.804	79%	0.786	S	S	*	*				-173.4	137	129.6	-108.6	167.2	96.6	0	0	113.9
304	G	28.8	Very low	33.2	Very low	82 Å²	82	144 Å²	144	85%	0.845	78%	0.776	S	S	*	*			trans	-177	94.6	173.6	0	0	0	0	0	112.7
305	R	37.5	Very low	34.2	Very low	198 Å²	198	139 Å²	139	75%	0.747	77%	0.773	S	S	*	*			trans	-80.5	152.2	-166.5	-67.9	171.1	150.8	78.5	0.3	115
306	M	27.3	Very low	35	Very low	178 Å²	178	139.7 Å²	139.7	88%	0.877	78%	0.777	S	S	*	*				155.4	143.6	119.1	-73.3	-123.4	-73.1	0	0	110.2
307	S	34.7	Very low	36.2	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	77%	0.767	S	S	*	*			cis	153	113.6	-20	-92.7	0	0	0	0	107.9
308	I	33.7	Very low	36.2	Very low	172 Å²	172	137.9 Å²	137.9	88%	0.882	77%	0.769	S	S	*	*			trans	-157.2	156.2	151.7	38.4	172.2	0	0	0	112.1
309	S	30.3	Very low	36.7	Very low	96 Å²	96	142 Å²	142	67%	0.671	78%	0.778	S	S	*	*			trans	-26.2	142.6	177.7	46.5	0	0	0	0	119.4
310	S	46.4	Very low	37.3	Very low	118 Å²	118	140.5 Å²	140.5	83%	0.825	78%	0.782	S	S	*	*			cis	79.4	136.6	44.8	-62.5	0	0	0	0	114.4
311	D	42.8	Very low	37.9	Very low	141 Å²	141	141 Å²	141	75%	0.754	79%	0.789	S	S	*	*			cis	-169.9	-174.4	-8.3	-178.1	33.8	0	0	0	109.8
312	T	37.6	Very low	38.7	Very low	119 Å²	119	140.1 Å²	140.1	73%	0.73	79%	0.785	S	S	*	*			trans	108.9	149.3	147.4	71.3	0	0	0	0	122
313	E	34.5	Very low	38.3	Very low	194 Å²	194	139.1 Å²	139.1	91%	0.907	79%	0.785	S	S	*	*			trans	78	130.7	158.4	-146.9	151.9	174.3	0	0	122.2
314	G	32	Very low	38.2	Very low	61 Å²	61	142 Å²	142	63%	0.629	79%	0.788	S	S	*	*			trans	-120.9	-156.7	173.8	0	0	0	0	0	111.1
315	P	48.7	Very low	38.3	Very low	123 Å²	123	144.1 Å²	144.1	80%	0.799	79%	0.785	S	S	*	*			cis	-131.9	177.2	18.3	42.2	-25.8	0	0	0	115.9
316	P	63.6	Low	38.1	Very low	115 Å²	115	142 Å²	142	75%	0.747	79%	0.789	S	S	*	*			trans	-88.6	175.8	169.2	39.3	-38	0	0	0	112.3
317	P	47.8	Very low	38.9	Very low	105 Å²	105	138.9 Å²	138.9	68%	0.682	78%	0.782	S	S	*	*				-159.1	177	97.5	34	-10.3	0	0	0	119.3
318	Y	27.8	Very low	38.6	Very low	220 Å²	220	139.1 Å²	139.1	86%	0.863	78%	0.783	S	S	*	*			trans	97	111.4	155	-69.8	-65.6	0	0	0	124.3
319	Q	38.4	Very low	38.5	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	78%	0.78	S	S	*	*			trans	-87.5	-177.9	142.9	-70	-178.6	-30	0	0	109.1
320	P	42.4	Very low	38.7	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	78%	0.782	S	S	*	*			cis	-148.6	-164.9	22	44.7	-21.6	0	0	0	118.4
321	L	39.4	Very low	38.4	Very low	162 Å²	162	143 Å²	143	85%	0.848	78%	0.775	S	S	*	*			trans	-65.5	162.3	170.5	-60.3	160.3	0	0	0	113
322	P	45.1	Very low	38.2	Very low	113 Å²	113	145.1 Å²	145.1	73%	0.734	78%	0.781	S	S	*	*				-158.5	154.3	89.2	40.7	-20.6	0	0	0	120.1
323	D	29.9	Very low	38.5	Very low	152 Å²	152	146.4 Å²	146.4	81%	0.813	78%	0.783	S	S	*	*			trans	44.2	154.4	139.3	-66.9	-17	0	0	0	127.4
324	R	32.5	Very low	38.5	Very low	233 Å²	233	145 Å²	145	88%	0.879	78%	0.776	S	S	*	*			trans	95.7	142.7	157.1	-58.3	-163.6	169.9	177.2	-3.7	117.4
325	T	31.4	Very low	38.3	Very low	127 Å²	127	149 Å²	149	78%	0.779	78%	0.783	S	S	*	*			cis	-152.5	151.6	6.6	-10.9	0	0	0	0	112.9
326	N	33.3	Very low	37.3	Very low	153 Å²	153	151.7 Å²	151.7	82%	0.818	78%	0.778	S	S	*	*			trans	-86.7	156	158.8	-92.4	-19.5	0	0	0	110.7
327	P	43.7	Very low	35.8	Very low	113 Å²	113	152.3 Å²	152.3	73%	0.734	78%	0.779	S	S	*	*				-151.3	150.1	102.8	39.8	-23.4	0	0	0	117.3
328	S	30.1	Very low	35.5	Very low	105 Å²	105	150.9 Å²	150.9	73%	0.734	77%	0.77	S	S	*	*			trans	35.8	144.1	139.8	72.3	0	0	0	0	122.1
329	I	31.3	Very low	36.6	Very low	156 Å²	156	145.9 Å²	145.9	80%	0.8	77%	0.765	S	S	*	*			cis	-162.4	178.3	18.7	-143	163.7	0	0	0	113.1
330	F	34.3	Very low	36.8	Very low	165 Å²	165	143.2 Å²	143.2	72%	0.724	76%	0.763	S	S	*	*			trans	-30.5	165.1	168	-77.9	-154.2	0	0	0	118.8
331	E	40.3	Very low	36.3	Very low	146 Å²	146	142.5 Å²	142.5	68%	0.682	76%	0.761	S	S	*	*			cis	-152	170.2	0.7	-121.8	162.3	-179.5	0	0	107
332	E	38.9	Very low	36	Very low	185 Å²	185	145.4 Å²	145.4	86%	0.864	76%	0.762	S	S	*	*				-159	158.1	56.6	58.7	-162.8	137.2	0	0	113.2
333	D	42.7	Very low	35.3	Very low	146 Å²	146	144 Å²	144	78%	0.781	76%	0.76	S	S	*	*			trans	-81.1	172.5	-175.7	-72.3	-60.8	0	0	0	114.3
334	E	34.1	Very low	35.3	Very low	165 Å²	165	141.5 Å²	141.5	77%	0.771	75%	0.754	S	S	*	*			cis	-128.2	-170.5	10.9	-49.4	179.7	93.9	0	0	111.2
335	L	29.5	Very low	35.1	Very low	146 Å²	146	136.1 Å²	136.1	76%	0.764	75%	0.751	S	S	*	*			cis	-157.2	180	5.2	-164	42.3	0	0	0	110.7
336	Y	27.1	Very low	35	Very low	179 Å²	179	136.5 Å²	136.5	70%	0.702	75%	0.753	S	S	*	*			trans	-102.6	-167.4	164.8	-154.9	-154	0	0	0	110.4	P338	Y336-P338 HydrophobicContact CE1-CB 4.23Å; Y336-P338 HydrophobicContact CE1-CG 3.85Å; Y336-P338 HydrophobicContact CE2-CB 4.08Å
337	V	31.6	Very low	34.9	Very low	127 Å²	127	137.2 Å²	137.2	77%	0.77	75%	0.751	S	S	*	*			cis	-151.1	168.8	40.9	-84.9	0	0	0	0	111.2
338	P	41.1	Very low	34.3	Very low	76 Å²	76	135.5 Å²	135.5	49%	0.494	74%	0.742	S	S	.	*			trans	-111.1	174.9	-152.3	41.1	-33.7	0	0	0	116.7	Y336	Y336-P338 HydrophobicContact CE1-CB 4.23Å; Y336-P338 HydrophobicContact CE1-CG 3.85Å; Y336-P338 HydrophobicContact CE2-CB 4.08Å
339	P	51.4	Low	34.2	Very low	115 Å²	115	137.5 Å²	137.5	75%	0.747	74%	0.744	S	S	*	*			trans	-86.5	-163.5	162	41	-39.2	0	0	0	110.6
340	P	43.2	Very low	34.1	Very low	120 Å²	120	138.2 Å²	138.2	78%	0.779	75%	0.747	S	S	*	*			cis	-143.9	-164.4	5.6	44.4	-23.6	0	0	0	117.2
341	S	31.3	Very low	33.9	Very low	108 Å²	108	135.9 Å²	135.9	76%	0.755	75%	0.747	S	S	*	*			trans	88.7	112.9	145.6	-173.6	0	0	0	0	123.1
342	Y	32.5	Very low	34.4	Very low	223 Å²	223	134.1 Å²	134.1	88%	0.875	75%	0.748	S	S	*	*				47.6	151.9	128.9	-145.2	-98.6	0	0	0	124.2
343	A	30.5	Very low	34.7	Very low	83 Å²	83	131.1 Å²	131.1	69%	0.686	74%	0.744	S	S	*	*			trans	75.6	155.3	176	0	0	0	0	0	115.8
344	S	30.5	Very low	34	Very low	101 Å²	101	131.4 Å²	131.4	71%	0.706	75%	0.746	S	S	*	*			cis	-159.5	152	-0.7	-156.2	0	0	0	0	112.2
345	C	27.8	Very low	33.8	Very low	119 Å²	119	131 Å²	131	80%	0.804	75%	0.746	S	S	*	*			trans	53.8	163.4	161.3	-62.5	0	0	0	0	118.2
346	V	30.8	Very low	33.7	Very low	136 Å²	136	128.6 Å²	128.6	82%	0.824	74%	0.742	S	S	*	*			cis	-146.1	158.9	31	-169	0	0	0	0	111.9
347	E	29.3	Very low	33.8	Very low	168 Å²	168	126.6 Å²	126.6	79%	0.785	75%	0.748	S	S	*	*			trans	-41.1	167.1	154.5	-79.6	-166.9	78.4	0	0	116.7
348	S	31.7	Very low	33.7	Very low	77 Å²	77	125.5 Å²	125.5	54%	0.538	75%	0.746	S	S	.	*			cis	-163.4	158.6	-3.4	-113.4	0	0	0	0	112.3
349	L	28.1	Very low	33.2	Very low	147 Å²	147	126 Å²	126	77%	0.77	76%	0.756	S	S	*	*			trans	44.3	133.6	142.6	-58.5	168.6	0	0	0	122.7
350	I	28.8	Very low	32.1	Very low	170 Å²	170	129.5 Å²	129.5	87%	0.872	76%	0.762	S	S	*	*				-173.6	153	121	-94.7	154.7	0	0	0	110
351	T	30.1	Very low	31.4	Very low	116 Å²	116	128.9 Å²	128.9	71%	0.712	76%	0.76	S	S	*	*			trans	-141.6	-178	-168.4	-27.5	0	0	0	0	111.2
352	P	50.8	Low	31.4	Very low	109 Å²	109	128 Å²	128	71%	0.708	75%	0.754	S	S	*	*				-90.2	-167.5	-98.7	40.9	-26.6	0	0	0	114.2
353	P	46.6	Very low	31.4	Very low	122 Å²	122	124 Å²	124	79%	0.792	75%	0.753	S	S	*	*				-152.7	144.1	92.7	38.4	-19.5	0	0	0	118.6
354	N	27.9	Very low	31.2	Very low	152 Å²	152	123.8 Å²	123.8	81%	0.813	75%	0.751	S	S	*	*			trans	39.9	140.3	135.6	-117.2	1.7	0	0	0	125.4
355	M	28.7	Very low	31.1	Very low	157 Å²	157	126.7 Å²	126.7	77%	0.773	76%	0.758	S	S	*	*			trans	107.2	131	146.3	-58.9	-125.4	68.4	0	0	122.8
356	S	28.8	Very low	31.3	Very low	96 Å²	96	127.4 Å²	127.4	67%	0.671	75%	0.754	S	S	*	*			trans	76.5	117.2	135.9	62.5	0	0	0	0	125.5
357	V	28.9	Very low	31.2	Very low	137 Å²	137	128.1 Å²	128.1	83%	0.83	75%	0.752	S	S	*	*				69.5	112.6	120.5	-177.8	0	0	0	0	122.3
358	S	29	Very low	31.2	Very low	104 Å²	104	124.9 Å²	124.9	73%	0.727	75%	0.748	S	S	*	*			trans	44.3	114.1	132.6	-164.9	0	0	0	0	123.8
359	A	30.2	Very low	31.4	Very low	86 Å²	86	126.5 Å²	126.5	71%	0.711	75%	0.75	S	S	*	*			trans	42.7	136.3	130.4	0	0	0	0	0	123.7
360	H	29.1	Very low	31.7	Very low	189 Å²	189	124.6 Å²	124.6	88%	0.875	74%	0.736	S	S	*	*			trans	-156.5	134.8	149.7	-96.1	-66.2	0	0	0	113.4
361	S	28.8	Very low	31.8	Very low	106 Å²	106	119.7 Å²	119.7	74%	0.741	73%	0.727	S	S	*	*			trans	36.9	149.8	130.9	168.9	0	0	0	0	122.5
362	S	31.4	Very low	31.8	Very low	89 Å²	89	120.6 Å²	120.6	62%	0.622	73%	0.732	S	S	*	*			cis	175.2	-153.9	-23.4	62.6	0	0	0	0	107.6
363	V	30.8	Very low	30.8	Very low	139 Å²	139	119.2 Å²	119.2	84%	0.842	74%	0.738	S	S	*	*			trans	66.4	146	171.6	-59.3	0	0	0	0	119.6
364	A	26.7	Very low	30	Very low	80 Å²	80	118.3 Å²	118.3	66%	0.661	74%	0.741	S	S	*	*			cis	-170.6	178.8	-20.2	0	0	0	0	0	111.9
365	L	29.8	Very low	29.9	Very low	161 Å²	161	115 Å²	115	84%	0.843	74%	0.742	S	S	*	*			trans	78.2	124.5	166.5	-45.7	-179.2	0	0	0	116
366	D	30.1	Very low	29.8	Very low	135 Å²	135	111.9 Å²	111.9	72%	0.722	74%	0.741	S	S	*	*			cis	85.2	106.2	20.3	-164	35.3	0	0	0	116.7
367	L	28.9	Very low	29.7	Very low	151 Å²	151	115.5 Å²	115.5	79%	0.791	75%	0.75	S	S	*	*				180	161.4	111.3	-95.7	173.5	0	0	0	113.2
368	S	30.9	Very low	29.7	Very low	99 Å²	99	116.2 Å²	116.2	69%	0.692	75%	0.748	S	S	*	*			trans	-140.7	176	177.9	-180	0	0	0	0	110.5
369	L	35.4	Very low	29.6	Very low	112 Å²	112	122.8 Å²	122.8	59%	0.586	76%	0.757	S	S	*	*			trans	124.8	130.4	142.4	-66.9	150.2	0	0	0	119.4
370	K	33.3	Very low	29.4	Very low	107 Å²	107	123.4 Å²	123.4	47%	0.465	76%	0.762	S	S	.	*			trans	71.5	145.1	144.7	-67.9	156.8	-177.5	147.8	0	120.3	S104 A105	S104-K370 WeakPolarHBondContact O-CD 3.2Å; S104-K370 PolarHBondContact O-NZ 3.06Å; A105-K370 HydrophobicContact CB-CB 3.77Å; A105-K370 HydrophobicContact CB-CD 3.95Å
371	G	31.5	Very low	29.3	Very low	66 Å²	66	118 Å²	118	68%	0.68	76%	0.757	S	S	*	*			cis	151.6	-177.9	-12.5	0	0	0	0	0	117.5
372	T	30.9	Very low	29.3	Very low	136 Å²	136	118.5 Å²	118.5	83%	0.834	76%	0.761	S	S	*	*			trans	62.8	116.9	144.6	52.9	0	0	0	0	122.1
373	G	29.8	Very low	29.2	Very low	79 Å²	79	119 Å²	119	81%	0.814	76%	0.764	S	S	*	*			trans	111.6	157.8	141.1	0	0	0	0	0	117.2
374	A	28.5	Very low	29.3	Very low	104 Å²	104	118 Å²	118	86%	0.86	76%	0.758	S	S	*	*			cis	-168.7	126.3	-20.7	0	0	0	0	0	111.3
375	G	26.9	Very low	29.7	Very low	82 Å²	82	121.9 Å²	121.9	85%	0.845	76%	0.763	S	S	*	*			trans	71.1	175.6	168.5	0	0	0	0	0	117
376	A	26.7	Very low	29.6	Very low	91 Å²	91	124.1 Å²	124.1	75%	0.752	76%	0.761	S	S	*	*			cis	-166.8	141.5	-19.1	0	0	0	0	0	112.6
377	M	25.5	Very low	29.9	Very low	172 Å²	172	123.7 Å²	123.7	85%	0.847	76%	0.764	S	S	*	*			trans	71.1	161.4	157	-61.6	173.7	67.9	0	0	121.8
378	L	29.8	Very low	29.9	Very low	152 Å²	152	123 Å²	123	80%	0.796	76%	0.761	S	S	*	*			trans	91	71.8	159	-52.6	-172	0	0	0	122.2
379	R	26.3	Very low	30.1	Very low	243 Å²	243	121.6 Å²	121.6	92%	0.917	76%	0.755	S	S	*	*				44.2	137.3	108.2	-146.9	-166.7	-159	-154	5.6	122.3
380	A	26.3	Very low	30	Very low	98 Å²	98	122.2 Å²	122.2	81%	0.81	76%	0.763	S	S	*	*			trans	106	149.5	139.8	0	0	0	0	0	120.5
381	G	28	Very low	29.8	Very low	75 Å²	75	123.8 Å²	123.8	77%	0.773	78%	0.777	S	S	*	*			trans	96.7	105.5	-178	0	0	0	0	0	112.7
382	S	28.8	Very low	29.8	Very low	117 Å²	117	127.2 Å²	127.2	82%	0.818	78%	0.78	S	S	*	*			cis	91	136.6	16.6	-159.8	0	0	0	0	116.8
383	S	28.9	Very low	29.7	Very low	100 Å²	100	125.6 Å²	125.6	70%	0.699	77%	0.774	S	S	*	*			trans	80.6	121.4	166.1	-60.5	0	0	0	0	116.9
384	V	33	Very low	29.6	Very low	118 Å²	118	131.9 Å²	131.9	72%	0.715	78%	0.775	S	S	*	*				89.5	141	52.7	164.7	0	0	0	0	110.3
385	E	33.7	Very low	29.5	Very low	162 Å²	162	132 Å²	132	76%	0.757	77%	0.768	S	S	*	*			cis	-133.5	162.4	21.4	-132.1	124.1	-135.3	0	0	108.9
386	Y	29.1	Very low	29.6	Very low	207 Å²	207	131.1 Å²	131.1	81%	0.812	76%	0.759	S	S	*	*				53.2	148.2	58	-87.2	-93	0	0	0	113.2
387	V	35.3	Very low	29.6	Very low	127 Å²	127	135.3 Å²	135.3	77%	0.77	76%	0.763	S	S	*	*			cis	-154.6	175.8	32.9	-88.3	0	0	0	0	109.3
388	D	30.3	Very low	29.8	Very low	136 Å²	136	134.3 Å²	134.3	73%	0.727	76%	0.761	S	S	*	*			cis	172.2	-178.5	-25.9	-172.4	24	0	0	0	108.2
389	A	35	Very low	30	Very low	70 Å²	70	136 Å²	136	58%	0.579	77%	0.765	S	S	*	*			trans	73.9	156.1	152.7	0	0	0	0	0	119.1
390	T	32.2	Very low	30.4	Very low	124 Å²	124	131.4 Å²	131.4	76%	0.761	76%	0.758	S	S	*	*			cis	-169.5	161.6	-12.9	29.2	0	0	0	0	107.6
391	D	29.1	Very low	30.6	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	76%	0.763	S	S	*	*			cis	-171.4	-169.2	-33.4	-132.6	-62.3	0	0	0	110.9
392	D	30.8	Very low	30.8	Very low	138 Å²	138	136.9 Å²	136.9	74%	0.738	76%	0.761	S	S	*	*			trans	73.4	106.5	148.4	-97.1	-34	0	0	0	122.2
393	S	30.4	Very low	31	Very low	102 Å²	102	142.1 Å²	142.1	71%	0.713	76%	0.763	S	S	*	*				86.4	123.5	116.3	82.1	0	0	0	0	124.1
394	Y	26.1	Very low	31.3	Very low	212 Å²	212	142.9 Å²	142.9	83%	0.831	76%	0.758	S	S	*	*				81.6	115.2	121.5	-155.7	-112.6	0	0	0	124.2
395	C	27.9	Very low	31	Very low	105 Å²	105	144.6 Å²	144.6	71%	0.709	76%	0.761	S	S	*	*			trans	64.5	149.1	146.3	85.5	0	0	0	0	123.3
396	G	28.1	Very low	30.9	Very low	64 Å²	64	144.4 Å²	144.4	66%	0.66	76%	0.762	S	S	*	*			trans	135.3	95.5	139.7	0	0	0	0	0	119.3
397	E	27.9	Very low	30.9	Very low	179 Å²	179	139.2 Å²	139.2	84%	0.836	75%	0.748	S	S	*	*				52.9	113.7	127.2	-63.9	162.7	-165.8	0	0	122
398	D	29.8	Very low	30.7	Very low	151 Å²	151	142.6 Å²	142.6	81%	0.807	75%	0.747	S	S	*	*				67.8	133.3	124.3	-54.1	-14	0	0	0	125.8
399	E	33	Very low	30.7	Very low	188 Å²	188	142.2 Å²	142.2	88%	0.879	74%	0.738	S	S	*	*			trans	64.6	147	145.8	-70.6	-169	175.1	0	0	125
400	D	34.6	Very low	30.4	Very low	146 Å²	146	142.8 Å²	142.8	78%	0.781	73%	0.73	S	S	*	*			trans	-40.9	150.9	177.2	-60.4	-39.4	0	0	0	118.5
401	V	30.5	Very low	30.3	Very low	150 Å²	150	141.4 Å²	141.4	91%	0.909	71%	0.714	S	S	*	*				-168.7	144.9	110.2	-93.2	0	0	0	0	114.4
402	D	33	Very low	30.5	Very low	138 Å²	138	141 Å²	141	74%	0.738	71%	0.705	S	S	*	*			trans	-59.3	157.3	165.2	-162.4	-10.2	0	0	0	113.6
403	R	31.8	Very low	30.3	Very low	227 Å²	227	140.6 Å²	140.6	86%	0.857	71%	0.708	S	S	*	*			trans	-172.4	103.8	135.9	-88.7	-120.7	169.9	133	7.6	117.8
404	I	35	Very low	30.2	Very low	116 Å²	116	140.7 Å²	140.7	60%	0.595	72%	0.715	S	S	*	*				39.3	129.8	127.5	-22.5	179.8	0	0	0	121.2
405	M	28.3	Very low	30.4	Very low	155 Å²	155	134.2 Å²	134.2	76%	0.764	71%	0.713	S	S	*	*				157.4	141.6	120.8	-86.4	-177.2	-172.2	0	0	113.4
406	M	30.3	Very low	30.4	Very low	158 Å²	158	135.6 Å²	135.6	78%	0.778	72%	0.724	S	S	*	*			cis	-141.6	151.5	7.6	-105.2	-50.3	-173.3	0	0	113.6
407	D	30.1	Very low	30.4	Very low	98 Å²	98	136.2 Å²	136.2	52%	0.524	73%	0.73	S	S	.	*			trans	-82.4	142.2	164.3	163.7	46.7	0	0	0	112	K409	D407-K409 PolarHBondContact OD1-N 3.14Å; D407-K409 IonicContact OD2-NZ 2.71Å; D407-K409 PolarHBondContact OD2-NZ 3.4Å
408	R	30.2	Very low	30.4	Very low	198 Å²	198	136 Å²	136	75%	0.747	74%	0.735	S	S	*	*				-157.6	88.1	129.8	-162.8	151.3	-71.1	-168.3	-1.1	115.1
409	K	30.2	Very low	30.3	Very low	127 Å²	127	132 Å²	132	55%	0.552	73%	0.729	S	S	*	*				39	149.9	115.1	-148.2	-167.2	-124.4	75.5	0	120.5	S164 D407	S164-K409 WeakPolarHBondContact CB-O 3.24Å; S164-K409 PolarHBondContact OG-O 2.82Å; D407-K409 PolarHBondContact OD1-N 3.14Å; D407-K409 IonicContact OD2-NZ 2.71Å; D407-K409 PolarHBondContact OD2-NZ 3.4Å
410	M	29.2	Very low	30.1	Very low	82 Å²	82	127.2 Å²	127.2	40%	0.404	73%	0.73	S	S	.	*			trans	-175.9	168.3	163.3	-31.2	147.2	175.5	0	0	109.4	S165 P166	S165-M410 WeakPolarHBondContact O-CB 3.43Å; S165-M410 WeakPolarHBondContact O-CG 3.45Å; P166-M410 HydrophobicContact CB-CB 4.3Å; P166-M410 HydrophobicContact CB-CE 4.3Å; P166-M410 HydrophobicContact CB-CG 3.96Å; P166-M410 HydrophobicContact CB-SD 3.77Å; P166-M410 HydrophobicContact CG-SD 4.26Å
411	K	30.4	Very low	29.7	Very low	96 Å²	96	123.7 Å²	123.7	42%	0.417	73%	0.728	S	S	.	*			trans	-166.6	142.1	-163.5	-165.6	178	-176.2	-179.4	0	118	S165 L167	S165-K411 PolarHBondContact OG-N 3.2Å; S165-K411 PolarHBondContact OG-O 3.21Å; L167-K411 HydrophobicContact CD2-CD 3.74Å; L167-K411 HydrophobicContact CG-CD 4.24Å
412	K	32	Very low	29.7	Very low	131 Å²	131	122.7 Å²	122.7	57%	0.57	73%	0.728	S	S	*	*			trans	63.8	160.1	159.3	-89.7	-175.2	170.9	-173.4	0	116.6
413	T	28	Very low	29.7	Very low	130 Å²	130	125.6 Å²	125.6	80%	0.798	73%	0.734	S	S	*	*			cis	-138.9	168.4	14.7	-38.5	0	0	0	0	111.8
414	A	28.9	Very low	30.2	Very low	104 Å²	104	120.4 Å²	120.4	86%	0.86	73%	0.729	S	S	*	*			trans	-145.1	158.8	179.3	0	0	0	0	0	114.2
415	G	29.3	Very low	29.9	Very low	76 Å²	76	118.6 Å²	118.6	78%	0.784	73%	0.732	S	S	*	*			trans	170.4	166.9	173.8	0	0	0	0	0	108.7
416	S	27.5	Very low	29.9	Very low	134 Å²	134	118.6 Å²	118.6	94%	0.937	73%	0.733	S	S	*	*			cis	170.5	132.1	-18	179.7	0	0	0	0	104.7
417	G	27.9	Very low	29.8	Very low	77 Å²	77	119.1 Å²	119.1	79%	0.794	74%	0.738	S	S	*	*			trans	174.8	143.6	-179	0	0	0	0	0	112.6
418	D	29.2	Very low	29.8	Very low	175 Å²	175	125.5 Å²	125.5	94%	0.936	76%	0.755	S	S	*	*			trans	-128.2	167	-167.9	176.6	41.4	0	0	0	111.8
419	G	27.7	Very low	29.7	Very low	67 Å²	67	122.3 Å²	122.3	69%	0.691	76%	0.758	S	S	*	*			trans	121.5	100.6	164.5	0	0	0	0	0	114.9
420	G	28	Very low	29.5	Very low	87 Å²	87	121.8 Å²	121.8	90%	0.897	77%	0.765	S	S	*	*			trans	-89.8	-177.2	178.5	0	0	0	0	0	115.5
421	G	26.6	Very low	29.4	Very low	72 Å²	72	125.5 Å²	125.5	74%	0.742	79%	0.786	S	S	*	*			trans	160.5	127.7	166.8	0	0	0	0	0	116.8
422	S	29.7	Very low	29.1	Very low	128 Å²	128	126.7 Å²	126.7	90%	0.895	81%	0.807	S	S	*	*			trans	70.6	127.9	149.8	-57.3	0	0	0	0	122.1
423	K	32.7	Very low	29.2	Very low	199 Å²	199	126.1 Å²	126.1	87%	0.865	82%	0.819	S	S	*	*			trans	-74.5	174.8	154.6	-65.3	-178.8	179	178.6	0	109.2
424	P	43.1	Very low	29.2	Very low	118 Å²	118	129.4 Å²	129.4	77%	0.766	83%	0.825	S	S	*	*			cis	-151.6	-179.5	22.1	46.1	-25.5	0	0	0	120
425	A	27.7	Very low	29.2	Very low	78 Å²	78	128.8 Å²	128.8	65%	0.645	82%	0.82	S	S	*	*			trans	74.2	115.5	138.4	0	0	0	0	0	123.6
426	I	29.2	Very low	29.3	Very low	156 Å²	156	130 Å²	130	80%	0.8	82%	0.817	S	S	*	*				63	117.1	125.8	-56.1	167.2	0	0	0	119.2
427	L	28.3	Very low	29.5	Very low	169 Å²	169	128.7 Å²	128.7	89%	0.885	81%	0.807	S	S	*	*				-159.9	164	120.3	-108.1	168.4	0	0	0	111.8
428	R	31	Very low	29.8	Very low	231 Å²	231	133 Å²	133	87%	0.872	81%	0.811	S	S	*	*			trans	-118.5	138	-177.4	-73.6	171.8	162.5	158.7	-8.3	110.6
429	T	26.6	Very low	30.1	Very low	132 Å²	132	130.1 Å²	130.1	81%	0.81	80%	0.801	S	S	*	*			trans	-159.2	116	151.4	12.9	0	0	0	0	113.3
430	T	26.4	Very low	30.4	Very low	115 Å²	115	138.9 Å²	138.9	71%	0.706	81%	0.814	S	S	*	*			trans	30.5	124.7	137.9	54.8	0	0	0	0	122.8
431	L	27.3	Very low	30.7	Very low	160 Å²	160	140.8 Å²	140.8	84%	0.838	80%	0.804	S	S	*	*				51	110.1	126	-57.7	168.9	0	0	0	119.4
432	S	24.4	Very low	31.5	Very low	122 Å²	122	142.2 Å²	142.2	85%	0.853	80%	0.803	S	S	*	*				179.1	156.9	87.1	-92.7	0	0	0	0	112.2
433	S	34.5	Very low	31.8	Very low	118 Å²	118	141.5 Å²	141.5	83%	0.825	79%	0.793	S	S	*	*			trans	-88	140.4	175.6	-47.4	0	0	0	0	111.7
434	E	28.4	Very low	32.2	Very low	199 Å²	199	140.8 Å²	140.8	93%	0.93	79%	0.79	S	S	*	*			trans	-136.7	163.2	149.2	-70.4	-159.4	155.2	0	0	109.7
435	A	28	Very low	32	Very low	92 Å²	92	144.8 Å²	144.8	76%	0.76	79%	0.791	S	S	*	*			trans	-74.7	170.3	-173.4	0	0	0	0	0	111.9
436	S	32	Very low	32.9	Very low	101 Å²	101	146 Å²	146	71%	0.706	79%	0.791	S	S	*	*			cis	-163	156.5	33.9	-45.5	0	0	0	0	113.5
437	S	30.1	Very low	33.5	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	79%	0.792	S	S	*	*			trans	35.5	104.5	143	62.5	0	0	0	0	119.8
438	L	34.4	Very low	34.5	Very low	167 Å²	167	144.1 Å²	144.1	87%	0.874	79%	0.786	S	S	*	*			trans	-145.1	142.3	131.6	-82.7	-170.2	0	0	0	110.4
439	T	35.3	Very low	35.6	Very low	116 Å²	116	139.1 Å²	139.1	71%	0.712	78%	0.781	S	S	*	*			trans	9	123.2	160.5	50.5	0	0	0	0	119.5	D441	T439-D441 PolarHBondContact O-N 2.82Å
440	Y	33.8	Very low	36.9	Very low	250 Å²	250	137.6 Å²	137.6	98%	0.98	77%	0.768	S	S	*	*			trans	-61.1	116.6	145.1	-113.5	-104.4	0	0	0	107.7
441	D	36.1	Very low	38.4	Very low	128 Å²	128	140.6 Å²	140.6	68%	0.684	77%	0.774	S	S	*	*			trans	-117.8	148.6	167.7	-165.9	-0.1	0	0	0	108.8	T439 V443	T439-D441 PolarHBondContact O-N 2.82Å; D441-V443 PolarHBondContact O-N 2.95Å; D441-V443 VanDerWaalsContact O-N 3.12Å
442	S	42.3	Very low	39.6	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	77%	0.768	S	S	*	*			trans	-72.5	99.5	-166.6	55.9	0	0	0	0	112.6	K444	S442-K444 PolarHBondContact O-N 2.85Å
443	V	36.7	Very low	40.8	Very low	114 Å²	114	137.4 Å²	137.4	69%	0.691	75%	0.753	S	S	*	*			trans	-72.5	82.5	171.1	-175.7	0	0	0	0	109.7	D441 Y445	D441-V443 PolarHBondContact O-N 2.95Å; D441-V443 VanDerWaalsContact O-N 3.12Å; V443-Y445 HydrophobicContact CG1-CD2 4.25Å; V443-Y445 HydrophobicContact CG1-CE2 3.93Å; V443-Y445 PolarHBondContact O-N 3.18Å; V443-Y445 VanDerWaalsContact O-N 3.08Å
444	K	40	Very low	41.6	Very low	183 Å²	183	140.7 Å²	140.7	80%	0.796	76%	0.755	S	S	*	*			trans	-70.2	98.6	176.8	-166	169.3	-172.3	169.8	0	109.8	S442 T446	S442-K444 PolarHBondContact O-N 2.85Å; K444-T446 VanDerWaalsContact C-N 3.29Å; K444-T446 PolarHBondContact O-N 3.08Å
445	Y	40.3	Very low	42.6	Very low	202 Å²	202	139 Å²	139	79%	0.792	75%	0.751	S	S	*	*			trans	-70.3	83.7	172.6	-80.2	-83.2	0	0	0	110.8	V443 L447	V443-Y445 HydrophobicContact CG1-CD2 4.25Å; V443-Y445 HydrophobicContact CG1-CE2 3.93Å; V443-Y445 PolarHBondContact O-N 3.18Å; V443-Y445 VanDerWaalsContact O-N 3.08Å; Y445-L447 PolarHBondContact O-N 2.9Å; Y445-L447 VanDerWaalsContact O-N 3.08Å
446	T	45.1	Very low	43.7	Very low	105 Å²	105	143.1 Å²	143.1	64%	0.644	76%	0.755	S	S	*	*			trans	-69	102.2	165.8	-53.7	0	0	0	0	108.8	K444 V448	K444-T446 VanDerWaalsContact C-N 3.29Å; K444-T446 PolarHBondContact O-N 3.08Å; T446-V448 VanDerWaalsContact C-N 3.31Å; T446-V448 HydrophobicContact CG2-CG2 4Å; T446-V448 PolarHBondContact O-N 2.92Å
447	L	43.2	Very low	44.4	Very low	157 Å²	157	146.7 Å²	146.7	82%	0.822	77%	0.765	S	S	*	*			trans	-69.2	90.5	167.1	-70.9	177.1	0	0	0	109	Y445 V449	Y445-L447 PolarHBondContact O-N 2.9Å; Y445-L447 VanDerWaalsContact O-N 3.08Å; L447-V449 PolarHBondContact O-N 3.49Å
448	V	49	Very low	45.2	Very low	127 Å²	127	147.5 Å²	147.5	77%	0.77	77%	0.765	S	S	*	*			trans	-72.1	98.2	167.6	-176.8	0	0	0	0	107.6	T446 D450	T446-V448 VanDerWaalsContact C-N 3.31Å; T446-V448 HydrophobicContact CG2-CG2 4Å; T446-V448 PolarHBondContact O-N 2.92Å; V448-D450 PolarHBondContact O-N 2.82Å
449	V	52.8	Low	45.7	Very low	127 Å²	127	143.6 Å²	143.6	77%	0.77	75%	0.752	S	S	*	*			trans	-70	121	165	-179.4	0	0	0	0	107.1	L447 E451	L447-V449 PolarHBondContact O-N 3.49Å; V449-E451 PolarHBondContact O-N 2.9Å
450	D	54.1	Low	46.2	Very low	100 Å²	100	145.3 Å²	145.3	54%	0.535	76%	0.756	S	S	.	*			trans	-67.4	118.1	174.3	-178.4	-12.7	0	0	0	109.2	V448 H452 A453	V448-D450 PolarHBondContact O-N 2.82Å; D450-H452 PolarHBondContact O-N 2.89Å; D450-H452 PolarHBondContact OD1-N 3.02Å; D450-A453 HydrophobicContact CB-CB 4.22Å; D450-A453 WeakPolarHBondContact O-CB 3.2Å; D450-A453 PolarHBondContact O-N 3.01Å
451	E	57.8	Low	46.9	Very low	178 Å²	178	143.6 Å²	143.6	83%	0.832	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-0.5	179.3	62.4	-177.6	156.7	0	0	113.8	V449	V449-E451 PolarHBondContact O-N 2.9Å
452	H	53.7	Low	47.2	Very low	150 Å²	150	145.4 Å²	145.4	69%	0.694	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	9	173.6	-62.3	-10.9	0	0	0	113.8	D450 Q454	D450-H452 PolarHBondContact O-N 2.89Å; D450-H452 PolarHBondContact OD1-N 3.02Å; H452-Q454 PolarHBondContact O-N 3.09Å
453	A	50.1	Low	47.2	Very low	65 Å²	65	145.1 Å²	145.1	54%	0.537	75%	0.749	S	S	.	*			trans	-72.3	80.5	175.2	0	0	0	0	0	113.1	D450 L455	D450-A453 HydrophobicContact CB-CB 4.22Å; D450-A453 WeakPolarHBondContact O-CB 3.2Å; D450-A453 PolarHBondContact O-N 3.01Å; A453-L455 PolarHBondContact O-N 3.39Å
454	Q	51.2	Low	47.4	Very low	186 Å²	186	150.4 Å²	150.4	87%	0.869	76%	0.758	S	S	*	*			trans	-69.7	117.7	172.5	-68	-172	-11.2	0	0	111.5	H452 E456	H452-Q454 PolarHBondContact O-N 3.09Å; Q454-E456 PolarHBondContact O-N 2.69Å
455	L	49.4	Very low	47.5	Very low	165 Å²	165	149.7 Å²	149.7	86%	0.864	76%	0.758	S	S	*	*			trans	-85.4	105.6	174.5	-66.4	173.6	0	0	0	110.8	A453	A453-L455 PolarHBondContact O-N 3.39Å
456	E	51.3	Low	47.3	Very low	178 Å²	178	143.1 Å²	143.1	83%	0.832	75%	0.751	S	S	*	*			trans	-76.2	128.6	168.7	-70.8	-163.7	130.7	0	0	111.5	Q454 V458	Q454-E456 PolarHBondContact O-N 2.69Å; E456-V458 PolarHBondContact O-N 3.49Å
457	L	44.8	Very low	46.7	Very low	175 Å²	175	150 Å²	150	92%	0.916	77%	0.767	S	S	*	*			trans	-73.6	92.2	170.4	-101.1	75.9	0	0	0	110.6	S459	L457-S459 PolarHBondContact O-N 2.94Å
458	V	47.4	Very low	46.3	Very low	123 Å²	123	148 Å²	148	75%	0.745	77%	0.766	S	S	*	*			trans	-70	120.4	173.4	-175	0	0	0	0	110.2	E456 L460	E456-V458 PolarHBondContact O-N 3.49Å; V458-L460 PolarHBondContact O-N 2.94Å
459	S	44.6	Very low	45.9	Very low	86 Å²	86	148.6 Å²	148.6	60%	0.601	77%	0.765	S	S	*	*			trans	-68.1	119.9	-178.9	-171	0	0	0	0	111.9	L457 R461	L457-S459 PolarHBondContact O-N 2.94Å; S459-R461 PolarHBondContact O-N 3.05Å
460	L	46.5	Very low	44.9	Very low	151 Å²	151	149.5 Å²	149.5	79%	0.791	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	32.7	-178.8	-117.3	170.8	0	0	0	114.6	V458	V458-L460 PolarHBondContact O-N 2.94Å
461	R	47.8	Very low	44.3	Very low	214 Å²	214	150.1 Å²	150.1	81%	0.808	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-8.9	176.4	-83.8	-168.1	171.1	-156.1	-2.2	114.9	S459	S459-R461 PolarHBondContact O-N 3.05Å
462	Q	42.9	Very low	43.3	Very low	166 Å²	166	149.1 Å²	149.1	78%	0.776	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	0.2	-174	-106.5	173.6	-12	0	0	115.9
463	C	42	Very low	42.2	Very low	95 Å²	95	147.2 Å²	147.2	64%	0.642	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-1.1	-179.3	-59.1	0	0	0	0	115.1
464	Y	41.3	Very low	41.4	Very low	226 Å²	226	148.2 Å²	148.2	89%	0.886	79%	0.79	S	S	*	*	S	Bend	trans	-136.5	46.1	-174.9	-82.2	-75.9	0	0	0	113.3
465	Q	41.4	Very low	40.8	Very low	168 Å²	168	145.8 Å²	145.8	79%	0.785	79%	0.788	S	S	*	*			trans	-128.3	87	172.4	-75.2	-176.8	-38.3	0	0	110.4
466	G	36.3	Very low	39.9	Very low	63 Å²	63	144.8 Å²	144.8	65%	0.649	79%	0.788	S	S	*	*	S	Bend	trans	173.4	35.2	-176.5	0	0	0	0	0	117
467	Y	34	Very low	38.7	Very low	249 Å²	249	147 Å²	147	98%	0.976	79%	0.79	S	S	*	*			trans	-166	106	143.2	-89.3	-56.3	0	0	0	110.8
468	S	34.9	Very low	37.9	Very low	116 Å²	116	145.8 Å²	145.8	81%	0.811	79%	0.785	S	S	*	*			trans	-155.1	142.7	168.2	-178.2	0	0	0	0	103.2
469	D	39.3	Very low	37	Very low	139 Å²	139	146.3 Å²	146.3	74%	0.743	78%	0.784	S	S	*	*			cis	-145.3	168.6	11.4	-166.1	4.6	0	0	0	108.1
470	D	32.5	Very low	36.4	Very low	147 Å²	147	147 Å²	147	79%	0.786	79%	0.787	S	S	*	*			trans	179.3	130.9	141	-104.5	-30.7	0	0	0	114.8
471	S	41.4	Very low	35.6	Very low	112 Å²	112	146.6 Å²	146.6	78%	0.783	79%	0.791	S	S	*	*			trans	71.6	120.8	155.4	-62	0	0	0	0	121.3
472	D	37.3	Very low	34.9	Very low	158 Å²	158	141.6 Å²	141.6	85%	0.845	79%	0.789	S	S	*	*			trans	-64.2	173.7	163.9	-85.3	-59.3	0	0	0	114.7
473	S	30	Very low	34.2	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	79%	0.786	S	S	*	*			trans	94.4	104.2	155.3	76.6	0	0	0	0	119.3
474	A	33.7	Very low	34.3	Very low	86 Å²	86	139.3 Å²	139.3	71%	0.711	79%	0.789	S	S	*	*				54.4	151.3	125.1	0	0	0	0	0	122.5
475	T	37.8	Very low	33.6	Very low	134 Å²	134	138.7 Å²	138.7	82%	0.822	79%	0.787	S	S	*	*			trans	67.6	107.1	169.4	64.4	0	0	0	0	117.2
476	V	30.1	Very low	33	Very low	145 Å²	145	138.1 Å²	138.1	88%	0.879	79%	0.785	S	S	*	*			trans	-132.5	84.9	152.9	-175.3	0	0	0	0	108.4
477	Y	27.5	Very low	32.7	Very low	223 Å²	223	140.8 Å²	140.8	88%	0.875	79%	0.793	S	S	*	*			trans	-146.9	90.5	157.3	-120.7	-83.1	0	0	0	104.1
478	D	27.4	Very low	32.6	Very low	151 Å²	151	133.1 Å²	133.1	81%	0.807	78%	0.781	S	S	*	*				-165.4	157.9	110.8	-121.7	-48.8	0	0	0	114.6
479	N	28.8	Very low	32.2	Very low	134 Å²	134	135.6 Å²	135.6	72%	0.717	78%	0.784	S	S	*	*			trans	-87.4	-172.2	-163.3	-169.8	7.1	0	0	0	113.7
480	C	31.7	Very low	31.7	Very low	100 Å²	100	131.5 Å²	131.5	68%	0.676	77%	0.774	S	S	*	*			trans	74.7	161.5	161.8	-55.5	0	0	0	0	117.3
481	V	29.1	Very low	31.7	Very low	142 Å²	142	133.1 Å²	133.1	86%	0.861	78%	0.777	S	S	*	*			cis	-142.1	140.2	15.7	-175.3	0	0	0	0	110.2
482	S	32.7	Very low	31.1	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	77%	0.769	S	S	*	*			cis	-134.6	-79.3	-16.5	166.6	0	0	0	0	110.2
483	S	27.9	Very low	30.7	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	76%	0.764	S	S	*	*			cis	-172	149.7	-20.7	-168.8	0	0	0	0	108.8
484	P	44.3	Very low	30.9	Very low	109 Å²	109	137.4 Å²	137.4	71%	0.708	76%	0.761	S	S	*	*	S	Bend	cis	-115.1	169.7	-4.8	41.5	-30.4	0	0	0	114.5
485	Y	27.5	Very low	30.6	Very low	213 Å²	213	140.8 Å²	140.8	84%	0.835	76%	0.761	S	S	*	*			trans	66.9	133.6	176.2	-113.7	-105.6	0	0	0	114.6
486	E	28.8	Very low	30.1	Very low	157 Å²	157	141.8 Å²	141.8	73%	0.734	76%	0.762	S	S	*	*			cis	-129.1	167.2	8.9	-167.5	160.7	-140.8	0	0	110.9
487	S	31.1	Very low	30.2	Very low	119 Å²	119	143.4 Å²	143.4	83%	0.832	76%	0.76	S	S	*	*			trans	-146.1	119.1	178.6	-59.2	0	0	0	0	112.1
488	A	29.9	Very low	30.3	Very low	87 Å²	87	140.3 Å²	140.3	72%	0.719	76%	0.758	S	S	*	*			trans	-161.4	116.9	169.1	0	0	0	0	0	111.5
489	I	28	Very low	30.4	Very low	169 Å²	169	141.5 Å²	141.5	87%	0.867	76%	0.759	S	S	*	*			trans	58.7	128.7	156.1	-32.5	176.6	0	0	0	117.3
490	G	29.1	Very low	30.5	Very low	52 Å²	52	142.1 Å²	142.1	54%	0.536	76%	0.758	S	S	.	*			cis	127.2	116.9	-4	0	0	0	0	0	113.2
491	E	31.5	Very low	30.3	Very low	181 Å²	181	144.2 Å²	144.2	85%	0.846	76%	0.757	S	S	*	*			trans	66.7	157.7	156.3	-64.5	159.3	-153.6	0	0	116.4
492	E	28.4	Very low	30.1	Very low	133 Å²	133	143 Å²	143	62%	0.621	75%	0.746	S	S	*	*			cis	-169.2	152.3	-19.5	-112.3	174.9	-167.6	0	0	109.9
493	Y	29.3	Very low	29.9	Very low	190 Å²	190	145.4 Å²	145.4	75%	0.745	75%	0.745	S	S	*	*			trans	55.1	-179.5	155.2	-60.5	-48	0	0	0	118.3
494	E	33.5	Very low	30	Very low	148 Å²	148	147.9 Å²	147.9	69%	0.692	75%	0.746	S	S	*	*			cis	-154.8	175	-40.3	-101.8	-70.6	-168.8	0	0	109.1
495	E	28.2	Very low	29.2	Very low	156 Å²	156	149.2 Å²	149.2	73%	0.729	75%	0.752	S	S	*	*			trans	51.4	114.9	149.5	-71.9	173.8	170.3	0	0	123.1
496	D	28.2	Very low	29.2	Very low	156 Å²	156	142.7 Å²	142.7	83%	0.834	75%	0.75	S	S	*	*				62.1	169.1	121.2	-66.6	-15	0	0	0	126.3
497	E	30.7	Very low	29.1	Very low	179 Å²	179	140 Å²	140	84%	0.836	76%	0.755	S	S	*	*			trans	69.2	102.6	164.9	-70.6	-175.9	-176.1	0	0	122.5
498	D	29.8	Very low	29	Very low	157 Å²	157	138.8 Å²	138.8	84%	0.84	75%	0.751	S	S	*	*				56.2	163.9	116.5	-70.7	-2.2	0	0	0	124.6
499	E	30.4	Very low	28.7	Very low	177 Å²	177	143.5 Å²	143.5	83%	0.827	76%	0.759	S	S	*	*			trans	-71.2	-179.4	-156.5	-52.6	-176.1	129.4	0	0	119.2
500	E	30.4	Very low	28.8	Very low	147 Å²	147	146.5 Å²	146.5	69%	0.687	76%	0.759	S	S	*	*			trans	92.2	111.1	151.3	-62	-120.1	106.2	0	0	121.9
501	Q	26.8	Very low	28.6	Very low	143 Å²	143	153.1 Å²	153.1	67%	0.668	78%	0.776	S	S	*	*				64.5	100.7	127.2	-61.3	-160.2	52	0	0	123.2
502	N	26.1	Very low	28.4	Very low	117 Å²	117	149 Å²	149	63%	0.626	77%	0.773	S	S	*	*				84.4	149.7	106.1	-161.8	19.5	0	0	0	121.2
503	Q	29	Very low	28.3	Very low	159 Å²	159	149.6 Å²	149.6	74%	0.743	79%	0.786	S	S	*	*			trans	71.5	148.2	169.2	-68.4	164.2	89.9	0	0	120
504	Q	29.2	Very low	28.2	Very low	157 Å²	157	144.6 Å²	144.6	73%	0.734	78%	0.784	S	S	*	*			cis	-166.7	170.4	-32.4	-164	151.5	-59.2	0	0	111.1
505	T	27.8	Very low	27.8	Very low	136 Å²	136	142.9 Å²	142.9	83%	0.834	79%	0.787	S	S	*	*			trans	87.4	136.5	164.8	74.7	0	0	0	0	116
506	G	26.1	Very low	27.7	Very low	77 Å²	77	143.3 Å²	143.3	79%	0.794	79%	0.793	S	S	*	*			cis	-166.3	179.7	-5.8	0	0	0	0	0	109.7
507	A	26.9	Very low	27.6	Very low	101 Å²	101	140.1 Å²	140.1	84%	0.835	78%	0.783	S	S	*	*			cis	-159.2	-170.3	3.2	0	0	0	0	0	110.5
508	A	29.2	Very low	27.5	Very low	93 Å²	93	140.3 Å²	140.3	77%	0.769	78%	0.784	S	S	*	*			trans	70.1	110.5	-175.5	0	0	0	0	0	115.2
509	Q	24.5	Very low	27.2	Very low	186 Å²	186	139.8 Å²	139.8	87%	0.869	78%	0.781	S	S	*	*			cis	85.9	127.3	24.5	-161.3	-173.7	-21.4	0	0	114.3
510	R	30.4	Very low	27.2	Very low	231 Å²	231	135.6 Å²	135.6	87%	0.872	77%	0.772	S	S	*	*			cis	-174.1	-173.8	-28.5	-120.3	176.2	-173.6	175.9	1.9	108.9
511	E	24.8	Very low	27.4	Very low	191 Å²	191	134.8 Å²	134.8	89%	0.893	78%	0.777	S	S	*	*			trans	89.7	151.5	163.3	-53.8	-162.9	147.6	0	0	118.6
512	A	26.9	Very low	28.2	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	78%	0.779	S	S	*	*				178.1	129	-89.9	0	0	0	0	0	113.3
513	T	26.4	Very low	28.2	Very low	146 Å²	146	135.9 Å²	135.9	90%	0.896	79%	0.788	S	S	*	*			trans	-163.8	166.2	161.2	41.9	0	0	0	0	109.3
514	A	27.8	Very low	28.2	Very low	84 Å²	84	136.4 Å²	136.4	69%	0.694	79%	0.79	S	S	*	*				178.3	144.1	-54.1	0	0	0	0	0	109
515	C	24.2	Very low	28.1	Very low	113 Å²	113	136.3 Å²	136.3	76%	0.764	79%	0.794	S	S	*	*			trans	74.8	127	164	-57.5	0	0	0	0	121.1
516	L	25.6	Very low	28.3	Very low	165 Å²	165	136.2 Å²	136.2	86%	0.864	79%	0.788	S	S	*	*				44.3	143.6	120.4	-52.2	179.3	0	0	0	120.2
517	S	26.4	Very low	28.7	Very low	89 Å²	89	141.7 Å²	141.7	62%	0.622	79%	0.793	S	S	*	*			cis	-163.7	164.6	11.2	42.7	0	0	0	0	112.4
518	E	28.1	Very low	28.6	Very low	182 Å²	182	146 Å²	146	85%	0.85	79%	0.793	S	S	*	*			trans	39.9	128.4	145.4	-62.8	159.7	134.8	0	0	119.8
519	D	25.2	Very low	28.8	Very low	147 Å²	147	146 Å²	146	79%	0.786	79%	0.787	S	S	*	*				-166.5	161.4	73.6	-171.9	24.7	0	0	0	114.1
520	S	29.1	Very low	29.3	Very low	89 Å²	89	145.9 Å²	145.9	62%	0.622	78%	0.784	S	S	*	*			trans	-0.4	149.4	158.3	-58.5	0	0	0	0	121.5
521	T	34.5	Very low	29.7	Very low	129 Å²	129	142.8 Å²	142.8	79%	0.791	78%	0.777	S	S	*	*			cis	-163.6	172.3	5	11.5	0	0	0	0	110.5
522	P	44.8	Very low	30.1	Very low	109 Å²	109	144 Å²	144	71%	0.708	78%	0.779	S	S	*	*			trans	-83.6	-177.4	-171.9	38.1	-36.8	0	0	0	113.7
523	E	26.3	Very low	30.5	Very low	175 Å²	175	145.9 Å²	145.9	82%	0.818	78%	0.776	S	S	*	*			cis	-148.8	156.7	38.5	-65.7	-179.4	138.6	0	0	116.5
524	E	27.7	Very low	30.6	Very low	170 Å²	170	146.2 Å²	146.2	79%	0.794	77%	0.772	S	S	*	*			trans	23.7	117	155.9	-57	-168.8	174.3	0	0	122.5
525	D	27.1	Very low	30.9	Very low	154 Å²	154	148.5 Å²	148.5	82%	0.824	78%	0.777	S	S	*	*			trans	-133.7	112.2	132.6	-172.2	11.2	0	0	0	109.2	H527	D525-H527 PolarHBondContact O-N 2.84Å
526	L	32.5	Very low	31.6	Very low	135 Å²	135	151.9 Å²	151.9	71%	0.707	78%	0.779	S	S	*	*			trans	-85.8	108.7	-179.4	-80.5	173.9	0	0	0	110.1	F528	L526-F528 PolarHBondContact O-N 2.89Å
527	H	35.4	Very low	32	Very low	192 Å²	192	152.5 Å²	152.5	89%	0.889	78%	0.78	S	S	*	*			trans	-29.1	85.4	176.8	-104.9	-82.8	0	0	0	115.8	D525	D525-H527 PolarHBondContact O-N 2.84Å
528	F	24.7	Very low	32	Very low	192 Å²	192	156.8 Å²	156.8	84%	0.842	80%	0.796	S	S	*	*			trans	-75.7	125.8	161.6	-99.7	-91.6	0	0	0	109.1	L526 K530	L526-F528 PolarHBondContact O-N 2.89Å; F528-K530 PolarHBondContact O-N 2.84Å
529	S	31.6	Very low	31.8	Very low	92 Å²	92	151.1 Å²	151.1	64%	0.643	79%	0.786	S	S	*	*			trans	-62.9	94.1	-176.9	163.5	0	0	0	0	111.6	K531	S529-K531 PolarHBondContact O-N 2.9Å
530	K	34.9	Very low	31.7	Very low	184 Å²	184	156.2 Å²	156.2	80%	0.8	79%	0.794	S	S	*	*			trans	-70.7	68.9	-179.9	-163.8	173.6	-174.8	173.8	0	112.7	F528	F528-K530 PolarHBondContact O-N 2.84Å
531	K	40.3	Very low	31.8	Very low	165 Å²	165	157.8 Å²	157.8	72%	0.717	81%	0.805	S	S	*	*			trans	-92.4	156.4	162.9	-64.9	-176.7	-179	-176.5	0	108.7	S529	S529-K531 PolarHBondContact O-N 2.9Å
532	F	33.8	Very low	31.4	Very low	216 Å²	216	162.8 Å²	162.8	95%	0.947	81%	0.81	S	S	*	*			trans	68.8	55.3	-167.6	-52.5	-72.5	0	0	0	115.5
533	L	33.5	Very low	30.9	Very low	135 Å²	135	164 Å²	164	71%	0.707	82%	0.821	S	S	*	*			trans	-135.7	88.2	147.2	-177.5	67.9	0	0	0	108
534	N	28.7	Very low	30.8	Very low	154 Å²	154	160.7 Å²	160.7	82%	0.824	82%	0.817	S	S	*	*			trans	-166.7	73.3	176.5	-120.5	9.2	0	0	0	112.5
535	V	35.7	Very low	31.3	Very low	132 Å²	132	158.6 Å²	158.6	80%	0.8	82%	0.821	S	S	*	*	S	Bend	trans	-135.8	-0.3	163.1	-162.5	0	0	0	0	111.8
536	F	38.5	Very low	31.4	Very low	184 Å²	184	155.2 Å²	155.2	81%	0.807	81%	0.814	S	S	*	*	S	Bend	trans	-134.8	150.5	177.4	-67.8	-78	0	0	0	110.4
537	M	32.6	Very low	31.4	Very low	178 Å²	178	156.8 Å²	156.8	88%	0.877	82%	0.818	S	S	*	*			trans	72.6	64.2	-179.3	-58.7	174.5	58.2	0	0	117.3
538	N	26.2	Very low	31.2	Very low	178 Å²	178	152.3 Å²	152.3	95%	0.952	81%	0.809	S	S	*	*			trans	-175.8	132.3	132.3	-93.5	-26.8	0	0	0	109.2
539	G	25.9	Very low	31.8	Very low	64 Å²	64	152.8 Å²	152.8	66%	0.66	81%	0.811	S	S	*	*			cis	156.3	141.5	-4.5	0	0	0	0	0	111.2
540	R	22.4	Very low	32.8	Very low	253 Å²	253	150.7 Å²	150.7	96%	0.955	80%	0.804	S	S	*	*			trans	75.2	137.9	-176.3	-59.4	173.4	153.9	167.6	-7.7	116.6
541	S	30.3	Very low	34.1	Very low	122 Å²	122	145.2 Å²	145.2	85%	0.853	78%	0.783	S	S	*	*			trans	-66	133.9	177.2	-36.8	0	0	0	0	112.7
542	R	25.9	Very low	35.6	Very low	235 Å²	235	144 Å²	144	89%	0.887	78%	0.775	S	S	*	*			trans	-134.9	119.1	148.8	-66.9	-173.8	69.9	116	-0.1	107	S544	R542-S544 PolarHBondContact O-N 2.96Å
543	S	34.6	Very low	37.6	Very low	135 Å²	135	136.4 Å²	136.4	94%	0.944	75%	0.748	S	S	*	*			trans	-61.6	120.6	173.3	-49	0	0	0	0	108.7
544	S	25	Very low	39.4	Very low	104 Å²	104	131.7 Å²	131.7	73%	0.727	73%	0.727	S	S	*	*			trans	-142.1	114.9	176	-168.6	0	0	0	0	107.7	R542 A546	R542-S544 PolarHBondContact O-N 2.96Å; S544-A546 PolarHBondContact O-N 3.47Å; S544-A546 VanDerWaalsContact O-N 3.14Å
545	S	37.9	Very low	41.8	Very low	127 Å²	127	130.5 Å²	130.5	89%	0.888	72%	0.719	S	S	*	*			trans	-63.4	109.9	168.9	48	0	0	0	0	108.8
546	A	29	Very low	43.8	Very low	82 Å²	82	125 Å²	125	68%	0.678	68%	0.684	S	S	*	*			trans	-119.6	142.4	166.2	0	0	0	0	0	107.1	S544 S548	S544-A546 PolarHBondContact O-N 3.47Å; S544-A546 VanDerWaalsContact O-N 3.14Å; A546-S548 PolarHBondContact O-N 3.27Å
547	E	32.5	Very low	45.4	Very low	169 Å²	169	122.7 Å²	122.7	79%	0.79	68%	0.681	S	S	*	*			trans	-68	90.1	-164.9	-66.5	151.8	112.6	0	0	112.6	F549	E547-F549 HydrophobicContact CB-CE2 3.96Å; E547-F549 HydrophobicContact CB-CZ 4.28Å; E547-F549 VanDerWaalsContact O-CD2 3.23Å; E547-F549 WeakPolarHBondContact O-CD2 3.28Å; E547-F549 PolarHBondContact O-N 2.97Å
548	S	30.5	Very low	47.3	Very low	98 Å²	98	117.5 Å²	117.5	69%	0.685	67%	0.673	S	S	*	*			trans	-70.5	106.3	164.8	52.3	0	0	0	0	108.8	A546 G550	A546-S548 PolarHBondContact O-N 3.27Å; S548-G550 PolarHBondContact O-N 3.37Å
549	F	37.5	Very low	49.3	Very low	201 Å²	201	114.8 Å²	114.8	88%	0.882	65%	0.654	S	S	*	*			trans	-72.9	48.4	176.1	-70.3	-88	0	0	0	113.1	E547	E547-F549 HydrophobicContact CB-CE2 3.96Å; E547-F549 HydrophobicContact CB-CZ 4.28Å; E547-F549 VanDerWaalsContact O-CD2 3.23Å; E547-F549 WeakPolarHBondContact O-CD2 3.28Å; E547-F549 PolarHBondContact O-N 2.97Å
550	G	52.5	Low	51.8	Low	49 Å²	49	117.4 Å²	117.4	51%	0.505	65%	0.649	S	S	.	*	S	Bend	trans	-116.6	165.8	163.4	0	0	0	0	0	109.6	S548	S548-G550 PolarHBondContact O-N 3.37Å
551	L	63	Low	54.6	Low	68 Å²	68	107.8 Å²	107.8	36%	0.356	61%	0.614	S	S	.	*			trans	-61	142.2	168.7	-61.1	178.2	0	0	0	109.1	S553 Q563 V619 R621	L551-S553 PolarHBondContact O-N 3.24Å; L551-Q563 HydrophobicContact CB-CB 4.28Å; L551-V619 HydrophobicContact CD2-CB 4.21Å; L551-V619 HydrophobicContact CD2-CG1 3.42Å; L551-V619 VanDerWaalsContact CD2-CG1 3.42Å; L551-R621 HydrophobicContact CD1-CG 4.12Å
552	Y	70.7	Confident	57.2	Low	140 Å²	140	105.1 Å²	105.1	55%	0.549	59%	0.591	S	S	.	*			trans	-64.1	122.1	173	-79.6	-101.4	0	0	0	109.1	Q563 P586 M603	Y552-Q563 VanDerWaalsContact N-OE1 3.17Å; Y552-Q563 VanDerWaalsContact O-CB 3.3Å; Y552-Q563 WeakPolarHBondContact O-CB 3.46Å; Y552-Q563 PolarHBondContact O-N 3.08Å; Y552-P586 HydrophobicContact CD1-CB 4.25Å; Y552-P586 HydrophobicContact CD1-CG 3.89Å; Y552-P586 HydrophobicContact CD2-CB 3.57Å; Y552-P586 HydrophobicContact CD2-CG 3.93Å; Y552-P586 HydrophobicContact CE1-CG 4.16Å; Y552-P586 HydrophobicContact CE2-CB 4.2Å; Y552-P586 HydrophobicContact CE2-CG 4.19Å; Y552-P586 HydrophobicContact CG-CB 3.59Å; Y552-P586 HydrophobicContact CG-CG 3.76Å; Y552-M603 VanDerWaalsContact O-CE 3.25Å; Y552-M603 WeakPolarHBondContact O-CE 3.38Å
553	S	76.6	Confident	60.3	Low	56 Å²	56	94.3 Å²	94.3	39%	0.392	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.1	148.7	164	75.8	0	0	0	0	110.2	L551 E560 K561	L551-S553 PolarHBondContact O-N 3.24Å; S553-E560 VanDerWaalsContact CB-OE1 3.25Å; S553-E560 WeakPolarHBondContact CB-OE1 3.43Å; S553-E560 PolarHBondContact OG-OE1 2.77Å; S553-K561 WeakPolarHBondContact CA-O 3.42Å
554	C	71.7	Confident	63	Low	37 Å²	37	88.9 Å²	88.9	25%	0.25	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	159	170.3	71.3	0	0	0	0	111.1	I556 K561 M603	C554-I556 PolarHBondContact O-N 2.96Å; C554-I556 VanDerWaalsContact SG-CD1 3.5Å; C554-K561 PolarHBondContact N-O 3.46Å; C554-K561 PolarHBondContact O-N 3.02Å; C554-M603 HydrophobicContact CB-CE 4.29Å; C554-M603 WeakPolarHBondContact SG-CE 3.25Å
555	I	78.6	Confident	66.3	Low	128 Å²	128	84.1 Å²	84.1	66%	0.656	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	109.3	179.8	-58.1	174.8	0	0	0	108.9	E559	I555-E559 CarbonylContact C-O 3.54Å; I555-E559 WeakPolarHBondContact CA-O 3.44Å
556	I	77.1	Confident	69.1	Low	16 Å²	16	82.8 Å²	82.8	8%	0.082	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.4	177.1	-72	164.9	0	0	0	108	C554 G558 E559 K561 L588 Y601	C554-I556 PolarHBondContact O-N 2.96Å; C554-I556 VanDerWaalsContact SG-CD1 3.5Å; I556-G558 PolarHBondContact O-N 3.03Å; I556-E559 PolarHBondContact N-O 2.64Å; I556-E559 PolarHBondContact O-N 2.87Å; I556-E559 VanDerWaalsContact O-O 3.1Å; I556-K561 HydrophobicContact CB-CG 4.06Å; I556-L588 HydrophobicContact CD1-CD2 3.66Å; I556-Y601 HydrophobicContact CD1-CD1 4.15Å; I556-Y601 HydrophobicContact CD1-CD2 4.04Å; I556-Y601 HydrophobicContact CD1-CG 3.76Å; I556-Y601 HydrophobicContact CG2-CD1 4.18Å; I556-Y601 HydrophobicContact CG2-CD2 4.21Å; I556-Y601 HydrophobicContact CG2-CE1 3.74Å; I556-Y601 HydrophobicContact CG2-CE2 3.8Å; I556-Y601 HydrophobicContact CG2-CG 4.41Å
557	N	73.8	Confident	72.2	Confident	137 Å²	137	78.9 Å²	78.9	73%	0.733	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	18.9	-178.1	-57.6	-37.8	0	0	0	115.3	Y601	N557-Y601 PolarHBondContact ND2-OH 2.84Å; N557-Y601 VanDerWaalsContact ND2-OH 3.09Å
558	G	71.7	Confident	75.2	Confident	68 Å²	68	73 Å²	73	70%	0.701	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	-2.2	-177.8	0	0	0	0	0	115	I556	I556-G558 PolarHBondContact O-N 3.03Å
559	E	68.9	Low	78.1	Confident	121 Å²	121	73.4 Å²	73.4	57%	0.565	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.2	173.8	-62.3	-176.2	170.8	0	0	110.2	I555 I556 K561	I555-E559 CarbonylContact C-O 3.54Å; I555-E559 WeakPolarHBondContact CA-O 3.44Å; I556-E559 PolarHBondContact N-O 2.64Å; I556-E559 PolarHBondContact O-N 2.87Å; I556-E559 VanDerWaalsContact O-O 3.1Å; E559-K561 HydrophobicContact CB-CD 4.42Å; E559-K561 IonicContact OE2-NZ 3.79Å; E559-K561 PolarHBondContact OE2-NZ 2.62Å
560	E	77.8	Confident	80.9	Confident	120 Å²	120	70 Å²	70	56%	0.561	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	130.1	167.1	-175	169.5	-155.6	0	0	109.7	S553	S553-E560 VanDerWaalsContact CB-OE1 3.25Å; S553-E560 WeakPolarHBondContact CB-OE1 3.43Å; S553-E560 PolarHBondContact OG-OE1 2.77Å
561	K	80.7	Confident	83	Confident	50 Å²	50	68.5 Å²	68.5	22%	0.217	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.9	177.8	-54.9	-64.6	-159.9	-174	0	109.7	S553 C554 I556 E559 L588 M603	S553-K561 WeakPolarHBondContact CA-O 3.42Å; C554-K561 PolarHBondContact N-O 3.46Å; C554-K561 PolarHBondContact O-N 3.02Å; I556-K561 HydrophobicContact CB-CG 4.06Å; E559-K561 HydrophobicContact CB-CD 4.42Å; E559-K561 IonicContact OE2-NZ 3.79Å; E559-K561 PolarHBondContact OE2-NZ 2.62Å; K561-L588 HydrophobicContact CB-CD1 4.27Å; K561-L588 HydrophobicContact CB-CD2 3.58Å; K561-L588 HydrophobicContact CD-CD2 4.4Å; K561-L588 HydrophobicContact CG-CD2 3.72Å; K561-M603 WeakPolarHBondContact O-CE 3.47Å
562	D	85.4	Confident	84.5	Confident	67 Å²	67	69 Å²	69	36%	0.358	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	148.8	170.6	-37.2	-72.5	0	0	0	111.6	L588 R621	D562-L588 WeakPolarHBondContact O-CD1 3.34Å; D562-R621 PolarHBondContact O-NH2 2.82Å; D562-R621 IonicContact OD2-CZ 2.75Å; D562-R621 IonicContact OD2-NH1 2.67Å; D562-R621 IonicContact OD2-NH2 3.81Å
563	Q	91.6	Very high	85.7	Confident	8 Å²	8	64.6 Å²	64.6	4%	0.037	34%	0.339	C	S	.	.			trans	-47.2	140.4	166.6	-177.5	179.4	9.1	0	0	111.6	L551 Y552 H565 P586 M603 R621	L551-Q563 HydrophobicContact CB-CB 4.28Å; Y552-Q563 VanDerWaalsContact N-OE1 3.17Å; Y552-Q563 VanDerWaalsContact O-CB 3.3Å; Y552-Q563 WeakPolarHBondContact O-CB 3.46Å; Y552-Q563 PolarHBondContact O-N 3.08Å; Q563-H565 WeakPolarHBondContact CG-O 3.22Å; Q563-H565 PolarHBondContact NE2-O 3.29Å; Q563-P586 HydrophobicContact CG-CB 4.27Å; Q563-M603 VanDerWaalsContact CA-SD 3.58Å; Q563-M603 HydrophobicContact CB-SD 3.89Å; Q563-M603 HydrophobicContact CG-SD 4.43Å; Q563-R621 PolarHBondContact O-NE 2.88Å
564	T	91.7	Very high	86.5	Confident	21 Å²	21	72.3 Å²	72.3	13%	0.129	36%	0.359	C	S	.	.			trans	-115.6	-29	170.1	58	0	0	0	0	111.5	L587 L588 V589 E618 V619	T564-L587 PolarHBondContact N-O 2.83Å; T564-L588 HydrophobicContact CG2-CD1 4.06Å; T564-V589 PolarHBondContact OG1-N 2.85Å; T564-E618 CarbonylContact O-C 3.58Å; T564-E618 WeakPolarHBondContact O-CA 3.43Å; T564-V619 PolarHBondContact O-N 2.89Å
565	H	94.3	Very high	87.7	Confident	4 Å²	4	75.5 Å²	75.5	2%	0.019	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	167	-174.9	-67.1	68	0	0	0	111.6	Q563 L587 V589 Y598 A616 I617 E618	Q563-H565 WeakPolarHBondContact CG-O 3.22Å; Q563-H565 PolarHBondContact NE2-O 3.29Å; H565-L587 HydrophobicContact CB-CB 4.08Å; H565-L587 PolarHBondContact N-O 3.21Å; H565-L587 PolarHBondContact O-N 3.08Å; H565-V589 HydrophobicContact CB-CG2 4Å; H565-V589 WeakPolarHBondContact ND1-CG2 3.42Å; H565-Y598 AromaticContact CD2-CE2 3.78Å; H565-Y598 AromaticContact NE2-CE2 3.72Å; H565-A616 HydrophobicContact CB-CB 4.17Å; H565-I617 CarbonylContact C-O 3.57Å; H565-I617 VanDerWaalsContact CA-O 3.24Å; H565-I617 WeakPolarHBondContact CA-O 3.14Å; H565-E618 PolarHBondContact CD2-N 2.8Å
566	R	95.1	Very high	88.3	Confident	98 Å²	98	78.3 Å²	78.3	37%	0.37	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.2	171.9	-170.2	168.6	80.6	-101.9	-0.6	110.1	V568 D584 D585 A616 I617 V619	R566-V568 PolarHBondContact O-N 3.27Å; R566-D584 WeakPolarHBondContact CD-OD1 3.42Å; R566-D584 HydrophobicContact CG-CB 4.38Å; R566-D584 WeakPolarHBondContact CG-O 3.35Å; R566-D584 IonicContact CZ-OD1 3.22Å; R566-D584 IonicContact NE-OD1 2.77Å; R566-D584 PolarHBondContact NE-OD1 3.44Å; R566-D584 IonicContact NH2-OD1 3.35Å; R566-D584 PolarHBondContact NH2-OD1 2.89Å; R566-D585 VanDerWaalsContact CA-O 3.3Å; R566-D585 WeakPolarHBondContact CA-O 3.48Å; R566-D585 WeakPolarHBondContact CG-O 3.17Å; R566-A616 CarbonylContact O-C 3.55Å; R566-A616 VanDerWaalsContact O-CA 3.27Å; R566-A616 WeakPolarHBondContact O-CA 3.32Å; R566-I617 PolarHBondContact N-O 3.1Å; R566-I617 PolarHBondContact O-N 2.83Å; R566-V619 HydrophobicContact CB-CG2 3.43Å; R566-V619 VanDerWaalsContact CB-CG2 3.43Å
567	A	95.3	Very high	89.2	Confident	0 Å²	0	81 Å²	81	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	131.7	177	0	0	0	0	0	110.8	L581 E582 D584 D585 L587 Y615	A567-L581 HydrophobicContact CB-CB 4.14Å; A567-L581 HydrophobicContact CB-CD1 4.37Å; A567-E582 WeakPolarHBondContact CB-O 3.37Å; A567-D584 WeakPolarHBondContact O-CA 3.42Å; A567-D584 PolarHBondContact O-N 2.74Å; A567-D585 HydrophobicContact CB-CB 3.89Å; A567-D585 PolarHBondContact N-O 3.29Å; A567-L587 HydrophobicContact CB-CD1 4.15Å; A567-Y615 CarbonylContact C-O 3.55Å; A567-Y615 WeakPolarHBondContact CA-O 3.34Å
568	V	94.8	Very high	90.3	Very high	46 Å²	46	75.6 Å²	75.6	28%	0.279	37%	0.372	S	S	.	.	S	Bend	trans	-98.1	-29.4	177.4	-171.7	0	0	0	0	110.9	R566 Y615 I617	R566-V568 PolarHBondContact O-N 3.27Å; V568-Y615 PolarHBondContact N-O 3.44Å; V568-I617 HydrophobicContact CG2-CB 3.92Å; V568-I617 HydrophobicContact CG2-CD1 3.61Å; V568-I617 HydrophobicContact CG2-CG1 3.61Å
569	Y	91.8	Very high	91.4	Very high	107 Å²	107	72.6 Å²	72.6	42%	0.42	34%	0.34	S	S	.	.	S	Bend	trans	-132.9	144.6	-174.6	-57.6	-63.6	0	0	0	110.3	F571 Y614	Y569-F571 PolarHBondContact O-N 2.74Å; Y569-Y614 HydrophobicContact CD2-CD1 4.42Å; Y569-Y614 HydrophobicContact CD2-CE1 4.32Å; Y569-Y614 HydrophobicContact CE2-CD1 4.1Å; Y569-Y614 AromaticContact CE2-CE1 3.62Å; Y569-Y614 HydrophobicContact CE2-CE1 3.62Å
570	R	95.9	Very high	92.7	Very high	128 Å²	128	70.8 Å²	70.8	48%	0.483	33%	0.331	S	S	.	.			trans	-64.3	124.5	172	-172.4	-168.5	179.3	108.8	10.7	109.6	V572 E580 L581 E582	R570-V572 HydrophobicContact CG-CG2 4.25Å; R570-E580 IonicContact CZ-OE1 2.66Å; R570-E580 IonicContact NE-OE1 3.69Å; R570-E580 IonicContact NH2-OE1 3.47Å; R570-E580 PolarHBondContact NH2-OE1 2.67Å; R570-L581 CarbonylContact C-O 3.59Å; R570-L581 VanDerWaalsContact CA-O 3.24Å; R570-L581 WeakPolarHBondContact CA-O 3.46Å; R570-L581 WeakPolarHBondContact CG-O 3.38Å; R570-E582 IonicContact CZ-OE1 3.53Å; R570-E582 IonicContact NH1-OE1 2.75Å; R570-E582 PolarHBondContact NH1-OE1 2.84Å; R570-E582 IonicContact NH2-OE1 3.3Å
571	F	96	Very high	93.6	Very high	18 Å²	18	65.1 Å²	65.1	8%	0.079	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-111.7	128.4	171.7	-174.6	-128.5	0	0	0	109.2	Y569 E578 L579 L581 W597 F611 P612 Y615	Y569-F571 PolarHBondContact O-N 2.74Å; F571-E578 HydrophobicContact CE1-CB 4.01Å; F571-E578 HydrophobicContact CE1-CG 4.22Å; F571-E578 HydrophobicContact CZ-CB 4.31Å; F571-E578 HydrophobicContact CZ-CG 4.14Å; F571-L579 WeakPolarHBondContact CD1-O 3.32Å; F571-L581 HydrophobicContact CB-CB 3.93Å; F571-L581 HydrophobicContact CB-CD1 3.9Å; F571-L581 HydrophobicContact CB-CG 3.94Å; F571-L581 PolarHBondContact N-O 3.22Å; F571-L581 PolarHBondContact O-N 3.12Å; F571-W597 HydrophobicContact CE1-CZ3 4.33Å; F571-W597 HydrophobicContact CZ-CH2 4.17Å; F571-W597 HydrophobicContact CZ-CZ3 4.07Å; F571-F611 HydrophobicContact CD1-CB 3.67Å; F571-F611 HydrophobicContact CE1-CB 3.9Å; F571-P612 HydrophobicContact CE2-CG 4.1Å; F571-P612 HydrophobicContact CZ-CG 4.23Å; F571-Y615 HydrophobicContact CB-CD1 3.65Å; F571-Y615 HydrophobicContact CB-CE1 4.04Å; F571-Y615 HydrophobicContact CB-CG 4.31Å; F571-Y615 HydrophobicContact CD2-CD1 4.24Å; F571-Y615 AromaticContact CD2-CE1 3.99Å; F571-Y615 HydrophobicContact CD2-CE1 3.99Å; F571-Y615 HydrophobicContact CG-CD1 4.24Å; F571-Y615 HydrophobicContact CG-CE1 4.41Å
572	V	95.9	Very high	94.3	Very high	79 Å²	79	66 Å²	66	48%	0.479	31%	0.31	S	S	.	.			trans	-113.8	116.2	-178.2	178.3	0	0	0	0	108.5	R570	R570-V572 HydrophobicContact CG-CG2 4.25Å
573	P	95.1	Very high	94.6	Very high	48 Å²	48	66.8 Å²	66.8	31%	0.312	32%	0.317	S	S	.	.			trans	-57	146	-177.2	-31.1	39	0	0	0	114.6	E578 E580	P573-E578 HydrophobicContact CB-CB 3.82Å; P573-E578 WeakPolarHBondContact CB-O 3.38Å; P573-E578 HydrophobicContact CG-CB 4.34Å; P573-E578 WeakPolarHBondContact CG-O 3.43Å; P573-E580 HydrophobicContact CG-CB 3.86Å
574	R	94.3	Very high	94.6	Very high	217 Å²	217	70.9 Å²	70.9	82%	0.819	34%	0.339	S	S	*	.	S	Bend	trans	-122.2	-15	174.2	-58.9	-176.6	177.8	-163.2	-0.6	113.1	E578	R574-E578 WeakPolarHBondContact CB-OE2 3.3Å; R574-E578 PolarHBondContact N-OE2 3.44Å
575	H	95.2	Very high	94.7	Very high	104 Å²	104	70.3 Å²	70.3	48%	0.481	34%	0.335	S	S	.	.	S	Bend	trans	-133.6	156.5	179.2	-54.1	103.4	0	0	0	109.4	D577 E578	H575-D577 WeakPolarHBondContact CB-OD1 3.46Å; H575-D577 PolarHBondContact O-N 2.84Å; H575-E578 HydrophobicContact CB-CG 4.26Å; H575-E578 IonicContact CE1-OE1 3.55Å; H575-E578 IonicContact CG-OE1 3.91Å; H575-E578 IonicContact ND1-OE1 3.49Å; H575-E578 PolarHBondContact ND1-OE1 2.75Å; H575-E578 PolarHBondContact O-N 2.77Å
576	D	92.4	Very high	94.6	Very high	187 Å²	187	70.3 Å²	70.3	100%	1	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.3	-175.3	-54	-43.8	0	0	0	113.7
577	D	94.6	Very high	94.6	Very high	72 Å²	72	65.7 Å²	65.7	39%	0.385	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-7.2	171.7	64.1	-35.2	0	0	0	114	R128 H575 G609 I610	R128-D577 IonicContact CZ-OD2 3.98Å; R128-D577 IonicContact NE-OD2 3.54Å; R128-D577 IonicContact NH2-OD2 2.9Å; R128-D577 PolarHBondContact NH2-OD2 3.35Å; H575-D577 WeakPolarHBondContact CB-OD1 3.46Å; H575-D577 PolarHBondContact O-N 2.84Å; D577-G609 CarbonylContact O-C 3.52Å; D577-G609 WeakPolarHBondContact O-CA 3.45Å; D577-I610 HydrophobicContact CB-CG1 4.32Å; D577-I610 WeakPolarHBondContact O-CG1 3.19Å; D577-I610 PolarHBondContact O-N 2.79Å
578	E	96.9	Very high	94.5	Very high	25 Å²	25	66.1 Å²	66.1	12%	0.117	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-85.5	133.9	-178.8	-72.6	175.8	-169.4	0	0	113.1	F571 P573 R574 H575 W597 I610	F571-E578 HydrophobicContact CE1-CB 4.01Å; F571-E578 HydrophobicContact CE1-CG 4.22Å; F571-E578 HydrophobicContact CZ-CB 4.31Å; F571-E578 HydrophobicContact CZ-CG 4.14Å; P573-E578 HydrophobicContact CB-CB 3.82Å; P573-E578 WeakPolarHBondContact CB-O 3.38Å; P573-E578 HydrophobicContact CG-CB 4.34Å; P573-E578 WeakPolarHBondContact CG-O 3.43Å; R574-E578 WeakPolarHBondContact CB-OE2 3.3Å; R574-E578 PolarHBondContact N-OE2 3.44Å; H575-E578 HydrophobicContact CB-CG 4.26Å; H575-E578 IonicContact CE1-OE1 3.55Å; H575-E578 IonicContact CG-OE1 3.91Å; H575-E578 IonicContact ND1-OE1 3.49Å; H575-E578 PolarHBondContact ND1-OE1 2.75Å; H575-E578 PolarHBondContact O-N 2.77Å; E578-W597 HydrophobicContact CG-CH2 4.42Å; E578-W597 HydrophobicContact CG-CZ3 4.18Å; E578-I610 CarbonylContact C-O 3.49Å; E578-I610 WeakPolarHBondContact CA-O 3.37Å; E578-I610 HydrophobicContact CG-CD1 4.37Å; E578-I610 HydrophobicContact CG-CG1 4.3Å
579	L	96.3	Very high	94.4	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.021	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-89.5	127.7	-176.1	-178.2	61.8	0	0	0	112	F571 L581 N602 A607 I610 F611	F571-L579 WeakPolarHBondContact CD1-O 3.32Å; L579-L581 HydrophobicContact CD2-CD2 3.98Å; L579-L581 HydrophobicContact CG-CD2 4.04Å; L579-L581 PolarHBondContact O-N 3.34Å; L579-N602 HydrophobicContact CD1-CB 3.94Å; L579-N602 HydrophobicContact CD2-CB 4.04Å; L579-N602 HydrophobicContact CG-CB 4.18Å; L579-A607 HydrophobicContact CD1-CB 3.67Å; L579-A607 WeakPolarHBondContact CD1-O 3.12Å; L579-I610 PolarHBondContact N-O 3.25Å; L579-F611 HydrophobicContact CB-CD1 4.3Å; L579-F611 HydrophobicContact CD2-CD1 3.78Å; L579-F611 HydrophobicContact CD2-CE1 3.94Å
580	E	96.2	Very high	94.5	Very high	84 Å²	84	64 Å²	64	39%	0.393	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-71.9	131.7	172.7	-172.3	165.8	-149.3	0	0	111.2	R570 P573 N602	R570-E580 IonicContact CZ-OE1 2.66Å; R570-E580 IonicContact NE-OE1 3.69Å; R570-E580 IonicContact NH2-OE1 3.47Å; R570-E580 PolarHBondContact NH2-OE1 2.67Å; P573-E580 HydrophobicContact CG-CB 3.86Å; E580-N602 PolarHBondContact O-ND2 3.39Å
581	L	96.9	Very high	94.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-124	134.4	176.4	-51.3	178.9	0	0	0	109.7	A567 R570 F571 L579 L587 F611	A567-L581 HydrophobicContact CB-CB 4.14Å; A567-L581 HydrophobicContact CB-CD1 4.37Å; R570-L581 CarbonylContact C-O 3.59Å; R570-L581 VanDerWaalsContact CA-O 3.24Å; R570-L581 WeakPolarHBondContact CA-O 3.46Å; R570-L581 WeakPolarHBondContact CG-O 3.38Å; F571-L581 HydrophobicContact CB-CB 3.93Å; F571-L581 HydrophobicContact CB-CD1 3.9Å; F571-L581 HydrophobicContact CB-CG 3.94Å; F571-L581 PolarHBondContact N-O 3.22Å; F571-L581 PolarHBondContact O-N 3.12Å; L579-L581 HydrophobicContact CD2-CD2 3.98Å; L579-L581 HydrophobicContact CG-CD2 4.04Å; L579-L581 PolarHBondContact O-N 3.34Å; L581-L587 HydrophobicContact CD1-CD1 4.42Å; L581-L587 HydrophobicContact CD2-CD1 4.11Å; L581-L587 HydrophobicContact CD2-CD2 3.6Å; L581-F611 HydrophobicContact CD1-CB 3.92Å; L581-F611 HydrophobicContact CD1-CD1 4.49Å; L581-F611 HydrophobicContact CD1-CD2 3.73Å; L581-F611 HydrophobicContact CD1-CE2 4.32Å; L581-F611 HydrophobicContact CD1-CG 3.81Å; L581-F611 HydrophobicContact CD2-CD1 4.48Å
582	E	93.8	Very high	94.3	Very high	70 Å²	70	66 Å²	66	33%	0.327	33%	0.332	S	S	.	.			trans	-105	163.8	161.8	-62.9	-170.4	119.9	0	0	110	A567 R570 D585 R604	A567-E582 WeakPolarHBondContact CB-O 3.37Å; R570-E582 IonicContact CZ-OE1 3.53Å; R570-E582 IonicContact NH1-OE1 2.75Å; R570-E582 PolarHBondContact NH1-OE1 2.84Å; R570-E582 IonicContact NH2-OE1 3.3Å; E582-D585 PolarHBondContact N-OD2 3.36Å; E582-D585 WeakPolarHBondContact O-CB 3.16Å; E582-D585 PolarHBondContact O-N 2.89Å; E582-R604 IonicContact OE2-CZ 2.69Å; E582-R604 IonicContact OE2-NH1 2.62Å; E582-R604 PolarHBondContact OE2-NH1 2.79Å; E582-R604 IonicContact OE2-NH2 3.49Å; E582-R604 PolarHBondContact OE2-NH2 2.95Å; E582-R604 VanDerWaalsContact OE2-NH2 3.11Å
583	V	92.8	Very high	93.9	Very high	83 Å²	83	63 Å²	63	50%	0.503	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	139.7	-176.4	179.7	0	0	0	0	110.1	D585	V583-D585 PolarHBondContact O-N 2.9Å
584	D	90.5	Very high	93.6	Very high	93 Å²	93	70.1 Å²	70.1	50%	0.497	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	13.5	-173.3	-67.1	-60.4	0	0	0	115.9	R566 A567	R566-D584 WeakPolarHBondContact CD-OD1 3.42Å; R566-D584 HydrophobicContact CG-CB 4.38Å; R566-D584 WeakPolarHBondContact CG-O 3.35Å; R566-D584 IonicContact CZ-OD1 3.22Å; R566-D584 IonicContact NE-OD1 2.77Å; R566-D584 PolarHBondContact NE-OD1 3.44Å; R566-D584 IonicContact NH2-OD1 3.35Å; R566-D584 PolarHBondContact NH2-OD1 2.89Å; A567-D584 WeakPolarHBondContact O-CA 3.42Å; A567-D584 PolarHBondContact O-N 2.74Å
585	D	94.3	Very high	93.5	Very high	9 Å²	9	62.2 Å²	62.2	5%	0.048	32%	0.321	C	S	.	.			trans	-57.7	132.9	173.4	-88.8	-11.7	0	0	0	112.6	R566 A567 E582 V583 L587 N602 R604	R566-D585 VanDerWaalsContact CA-O 3.3Å; R566-D585 WeakPolarHBondContact CA-O 3.48Å; R566-D585 WeakPolarHBondContact CG-O 3.17Å; A567-D585 HydrophobicContact CB-CB 3.89Å; A567-D585 PolarHBondContact N-O 3.29Å; E582-D585 PolarHBondContact N-OD2 3.36Å; E582-D585 WeakPolarHBondContact O-CB 3.16Å; E582-D585 PolarHBondContact O-N 2.89Å; V583-D585 PolarHBondContact O-N 2.9Å; D585-L587 HydrophobicContact CB-CD2 4.02Å; D585-N602 PolarHBondContact OD2-ND2 2.78Å; D585-R604 WeakPolarHBondContact OD1-CD 3.48Å; D585-R604 IonicContact OD1-CZ 3.66Å; D585-R604 IonicContact OD1-NE 2.73Å; D585-R604 PolarHBondContact OD1-NE 3.34Å; D585-R604 IonicContact OD1-NH2 2.96Å; D585-R604 PolarHBondContact OD1-NH2 3.23Å; D585-R604 IonicContact OD2-CZ 3.79Å; D585-R604 IonicContact OD2-NE 3.98Å; D585-R604 PolarHBondContact OD2-NE 2.8Å; D585-R604 IonicContact OD2-NH2 3.7Å; D585-R604 PolarHBondContact OD2-NH2 2.81Å
586	P	92.7	Very high	93.3	Very high	5 Å²	5	66.3 Å²	66.3	3%	0.032	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.2	174.1	29.2	-32.1	0	0	0	111.3	Y552 Q563 M603	Y552-P586 HydrophobicContact CD1-CB 4.25Å; Y552-P586 HydrophobicContact CD1-CG 3.89Å; Y552-P586 HydrophobicContact CD2-CB 3.57Å; Y552-P586 HydrophobicContact CD2-CG 3.93Å; Y552-P586 HydrophobicContact CE1-CG 4.16Å; Y552-P586 HydrophobicContact CE2-CB 4.2Å; Y552-P586 HydrophobicContact CE2-CG 4.19Å; Y552-P586 HydrophobicContact CG-CB 3.59Å; Y552-P586 HydrophobicContact CG-CG 3.76Å; Q563-P586 HydrophobicContact CG-CB 4.27Å; P586-M603 HydrophobicContact CB-CB 4.24Å; P586-M603 HydrophobicContact CB-SD 4.45Å; P586-M603 HydrophobicContact CG-CB 4.1Å; P586-M603 WeakPolarHBondContact O-CB 3.41Å; P586-M603 WeakPolarHBondContact O-CG 3.3Å; P586-M603 PolarHBondContact O-N 3.16Å
587	L	94.1	Very high	93.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139	-174.3	-47.3	-179.9	0	0	0	111.9	T564 H565 A567 L581 D585 Y601 N602 F611 A616	T564-L587 PolarHBondContact N-O 2.83Å; H565-L587 HydrophobicContact CB-CB 4.08Å; H565-L587 PolarHBondContact N-O 3.21Å; H565-L587 PolarHBondContact O-N 3.08Å; A567-L587 HydrophobicContact CB-CD1 4.15Å; L581-L587 HydrophobicContact CD1-CD1 4.42Å; L581-L587 HydrophobicContact CD2-CD1 4.11Å; L581-L587 HydrophobicContact CD2-CD2 3.6Å; D585-L587 HydrophobicContact CB-CD2 4.02Å; L587-Y601 WeakPolarHBondContact CA-O 3.44Å; L587-N602 HydrophobicContact CD2-CB 4.2Å; L587-F611 HydrophobicContact CD1-CE1 4.4Å; L587-F611 HydrophobicContact CD1-CE2 3.89Å; L587-F611 HydrophobicContact CD1-CZ 3.65Å; L587-A616 HydrophobicContact CD1-CB 3.74Å
588	L	93.3	Very high	93.6	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.047	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	95.2	164.1	174.8	69.1	0	0	0	107.8	I556 K561 D562 T564 E590 G600 Y601 M603	I556-L588 HydrophobicContact CD1-CD2 3.66Å; K561-L588 HydrophobicContact CB-CD1 4.27Å; K561-L588 HydrophobicContact CB-CD2 3.58Å; K561-L588 HydrophobicContact CD-CD2 4.4Å; K561-L588 HydrophobicContact CG-CD2 3.72Å; D562-L588 WeakPolarHBondContact O-CD1 3.34Å; T564-L588 HydrophobicContact CG2-CD1 4.06Å; L588-E590 HydrophobicContact CD2-CG 4.29Å; L588-E590 HydrophobicContact CG-CG 4.15Å; L588-G600 CarbonylContact O-C 3.6Å; L588-G600 WeakPolarHBondContact O-CA 3.14Å; L588-Y601 HydrophobicContact CD2-CD2 3.96Å; L588-Y601 PolarHBondContact N-O 2.86Å; L588-Y601 PolarHBondContact O-N 3.36Å; L588-M603 HydrophobicContact CB-CG 4.15Å; L588-M603 HydrophobicContact CB-SD 3.97Å
589	V	94.3	Very high	93.6	Very high	14 Å²	14	61.3 Å²	61.3	9%	0.085	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.7	167	176.6	0	0	0	0	108.4	T564 H565 Q592 Y598 F611	T564-V589 PolarHBondContact OG1-N 2.85Å; H565-V589 HydrophobicContact CB-CG2 4Å; H565-V589 WeakPolarHBondContact ND1-CG2 3.42Å; V589-Q592 HydrophobicContact CG1-CG 3.93Å; V589-Y598 HydrophobicContact CG1-CD1 4.42Å; V589-Y598 HydrophobicContact CG1-CD2 4.27Å; V589-Y598 HydrophobicContact CG1-CG 4Å; V589-Y598 HydrophobicContact CG2-CD2 3.74Å; V589-Y598 HydrophobicContact CG2-CE2 4.47Å; V589-Y598 HydrophobicContact CG2-CG 4.16Å; V589-F611 HydrophobicContact CG2-CZ 3.73Å
590	E	92.4	Very high	93.5	Very high	94 Å²	94	61.1 Å²	61.1	44%	0.439	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-34	174.6	-64.3	-157.4	135.8	0	0	112	L588 E599 Y601	L588-E590 HydrophobicContact CD2-CG 4.29Å; L588-E590 HydrophobicContact CG-CG 4.15Å; E590-E599 PolarHBondContact N-O 3.26Å; E590-Y601 HydrophobicContact CG-CD2 4.38Å; E590-Y601 HydrophobicContact CG-CE2 4.24Å; E590-Y601 WeakPolarHBondContact OE2-CE2 3.25Å
591	V	94.1	Very high	93.4	Very high	77 Å²	77	58.7 Å²	58.7	47%	0.467	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.2	178.1	-169	0	0	0	0	110.7	Y598 E599	V591-Y598 WeakPolarHBondContact O-CA 3.27Å; V591-E599 HydrophobicContact CB-CB 4.12Å; V591-E599 PolarHBondContact N-O 3.28Å; V591-E599 VanDerWaalsContact N-O 3.08Å; V591-E599 PolarHBondContact O-N 3.23Å
592	Q	94.4	Very high	93.2	Very high	111 Å²	111	58.7 Å²	58.7	52%	0.519	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	108.7	165.7	-59.5	-163.8	20.1	0	0	109	V589 Y598	V589-Q592 HydrophobicContact CG1-CG 3.93Å; Q592-Y598 HydrophobicContact CB-CD1 3.95Å; Q592-Y598 HydrophobicContact CB-CE1 3.72Å; Q592-Y598 HydrophobicContact CG-CD1 3.79Å; Q592-Y598 HydrophobicContact CG-CE1 3.46Å; Q592-Y598 VanDerWaalsContact CG-CE1 3.46Å; Q592-Y598 PolarHBondContact OE1-OH 2.96Å
593	G	88.1	Confident	93.1	Very high	18 Å²	18	56.4 Å²	56.4	19%	0.186	27%	0.274	C	S	.	.			trans	-79.8	140.9	-179.6	0	0	0	0	0	113	D595 Y596 W597	G593-D595 PolarHBondContact O-N 3.37Å; G593-D595 VanDerWaalsContact O-N 3.08Å; G593-Y596 PolarHBondContact O-N 3.18Å; G593-W597 WeakPolarHBondContact CA-O 3.47Å; G593-W597 PolarHBondContact N-O 2.88Å
594	E	88.3	Confident	92.8	Very high	196 Å²	196	58.1 Å²	58.1	92%	0.916	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.2	173.9	-60.2	178.9	174.3	0	0	113	Y596	E594-Y596 PolarHBondContact O-N 3.14Å
595	D	91.4	Very high	92.6	Very high	52 Å²	52	57.2 Å²	57.2	28%	0.278	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	10.8	173.4	49.9	-43.3	0	0	0	114.7	R125 R128 G593 W597	R125-D595 IonicContact CZ-OD1 3.73Å; R125-D595 IonicContact NH1-OD1 2.84Å; R125-D595 PolarHBondContact NH1-OD1 2.72Å; R125-D595 IonicContact NH1-OD2 3.78Å; R125-D595 PolarHBondContact NH1-OD2 2.93Å; R125-D595 IonicContact NH2-OD1 3.9Å; R128-D595 IonicContact NH1-OD2 3.63Å; G593-D595 PolarHBondContact O-N 3.37Å; G593-D595 VanDerWaalsContact O-N 3.08Å; D595-W597 VanDerWaalsContact O-CD1 3.3Å; D595-W597 PolarHBondContact O-N 2.93Å
596	Y	92	Very high	92.3	Very high	190 Å²	190	59.6 Å²	59.6	75%	0.745	30%	0.296	S	S	*	.	S	Bend	trans	58.5	31	-173.6	-60.8	-86.5	0	0	0	114	G593 E594 A613	G593-Y596 PolarHBondContact O-N 3.18Å; E594-Y596 PolarHBondContact O-N 3.14Å; Y596-A613 WeakPolarHBondContact O-CB 3.46Å; Y596-A613 PolarHBondContact O-N 2.64Å
597	W	95.6	Very high	92.2	Very high	65 Å²	65	61.4 Å²	61.4	25%	0.246	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.3	167.9	-73.9	81.7	0	0	0	109.5	F571 E578 G593 D595 I610 F611 P612	F571-W597 HydrophobicContact CE1-CZ3 4.33Å; F571-W597 HydrophobicContact CZ-CH2 4.17Å; F571-W597 HydrophobicContact CZ-CZ3 4.07Å; E578-W597 HydrophobicContact CG-CH2 4.42Å; E578-W597 HydrophobicContact CG-CZ3 4.18Å; G593-W597 WeakPolarHBondContact CA-O 3.47Å; G593-W597 PolarHBondContact N-O 2.88Å; D595-W597 VanDerWaalsContact O-CD1 3.3Å; D595-W597 PolarHBondContact O-N 2.93Å; W597-I610 HydrophobicContact CD2-CD1 4.17Å; W597-I610 HydrophobicContact CE3-CB 4.07Å; W597-I610 HydrophobicContact CE3-CD1 3.56Å; W597-I610 HydrophobicContact CE3-CG1 4.13Å; W597-I610 HydrophobicContact CH2-CD1 4.5Å; W597-I610 HydrophobicContact CZ3-CD1 3.75Å; W597-I610 HydrophobicContact CZ3-CG1 4.29Å; W597-F611 WeakPolarHBondContact CA-O 3.41Å; W597-P612 HydrophobicContact CE3-CG 4.21Å; W597-P612 HydrophobicContact CH2-CG 3.84Å; W597-P612 HydrophobicContact CZ2-CG 4.15Å; W597-P612 HydrophobicContact CZ3-CG 3.86Å
598	Y	97	Very high	92.2	Very high	38 Å²	38	65.4 Å²	65.4	15%	0.149	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	145	170.2	-68.2	-11.9	0	0	0	109.4	H565 V589 V591 Q592 I610 F611 A613	H565-Y598 AromaticContact CD2-CE2 3.78Å; H565-Y598 AromaticContact NE2-CE2 3.72Å; V589-Y598 HydrophobicContact CG1-CD1 4.42Å; V589-Y598 HydrophobicContact CG1-CD2 4.27Å; V589-Y598 HydrophobicContact CG1-CG 4Å; V589-Y598 HydrophobicContact CG2-CD2 3.74Å; V589-Y598 HydrophobicContact CG2-CE2 4.47Å; V589-Y598 HydrophobicContact CG2-CG 4.16Å; V591-Y598 WeakPolarHBondContact O-CA 3.27Å; Q592-Y598 HydrophobicContact CB-CD1 3.95Å; Q592-Y598 HydrophobicContact CB-CE1 3.72Å; Q592-Y598 HydrophobicContact CG-CD1 3.79Å; Q592-Y598 HydrophobicContact CG-CE1 3.46Å; Q592-Y598 VanDerWaalsContact CG-CE1 3.46Å; Q592-Y598 PolarHBondContact OE1-OH 2.96Å; Y598-I610 CarbonylContact O-C 3.58Å; Y598-I610 VanDerWaalsContact O-CA 3.22Å; Y598-I610 WeakPolarHBondContact O-CA 3.26Å; Y598-F611 AromaticContact CD2-CE2 3.8Å; Y598-F611 HydrophobicContact CD2-CE2 3.8Å; Y598-F611 HydrophobicContact CD2-CZ 4.17Å; Y598-F611 HydrophobicContact CG-CE2 4.28Å; Y598-F611 HydrophobicContact CG-CZ 4.49Å; Y598-F611 PolarHBondContact N-O 3.01Å; Y598-F611 PolarHBondContact O-N 2.95Å; Y598-A613 HydrophobicContact CD1-CB 3.74Å; Y598-A613 HydrophobicContact CD2-CB 4.08Å; Y598-A613 HydrophobicContact CE1-CB 3.49Å; Y598-A613 VanDerWaalsContact CE1-CB 3.49Å; Y598-A613 HydrophobicContact CE2-CB 3.82Å; Y598-A613 HydrophobicContact CG-CB 4.06Å
599	E	96.6	Very high	92.3	Very high	76 Å²	76	65.3 Å²	65.3	36%	0.355	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.3	173.3	-168.3	171.2	173.4	0	0	108.3	E590 V591 H608 I610	E590-E599 PolarHBondContact N-O 3.26Å; V591-E599 HydrophobicContact CB-CB 4.12Å; V591-E599 PolarHBondContact N-O 3.28Å; V591-E599 VanDerWaalsContact N-O 3.08Å; V591-E599 PolarHBondContact O-N 3.23Å; E599-H608 IonicContact OE1-CE1 2.75Å; E599-I610 HydrophobicContact CB-CG2 3.92Å; E599-I610 HydrophobicContact CG-CG2 3.85Å
600	G	94.9	Very high	92.4	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.1	-165.5	-175.9	0	0	0	0	0	114.4	L588 H608 G609	L588-G600 CarbonylContact O-C 3.6Å; L588-G600 WeakPolarHBondContact O-CA 3.14Å; G600-H608 WeakPolarHBondContact O-CA 3.24Å; G600-H608 PolarHBondContact O-CD2 3.3Å; G600-G609 PolarHBondContact N-O 3.14Å; G600-G609 VanDerWaalsContact N-O 3.08Å; G600-G609 PolarHBondContact O-N 3.08Å
601	Y	94.1	Very high	92.7	Very high	32 Å²	32	60.6 Å²	60.6	13%	0.125	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.8	-174.2	-58.8	-100.7	0	0	0	112.5	I556 N557 L587 L588 E590 A607 H608	I556-Y601 HydrophobicContact CD1-CD1 4.15Å; I556-Y601 HydrophobicContact CD1-CD2 4.04Å; I556-Y601 HydrophobicContact CD1-CG 3.76Å; I556-Y601 HydrophobicContact CG2-CD1 4.18Å; I556-Y601 HydrophobicContact CG2-CD2 4.21Å; I556-Y601 HydrophobicContact CG2-CE1 3.74Å; I556-Y601 HydrophobicContact CG2-CE2 3.8Å; I556-Y601 HydrophobicContact CG2-CG 4.41Å; N557-Y601 PolarHBondContact ND2-OH 2.84Å; N557-Y601 VanDerWaalsContact ND2-OH 3.09Å; L587-Y601 WeakPolarHBondContact CA-O 3.44Å; L588-Y601 HydrophobicContact CD2-CD2 3.96Å; L588-Y601 PolarHBondContact N-O 2.86Å; L588-Y601 PolarHBondContact O-N 3.36Å; E590-Y601 HydrophobicContact CG-CD2 4.38Å; E590-Y601 HydrophobicContact CG-CE2 4.24Å; E590-Y601 WeakPolarHBondContact OE2-CE2 3.25Å; Y601-A607 CarbonylContact C-O 3.53Å; Y601-A607 VanDerWaalsContact CA-O 3.28Å; Y601-A607 WeakPolarHBondContact CA-O 3.28Å; Y601-H608 HydrophobicContact CD1-CB 3.81Å; Y601-H608 AromaticContact CD1-CD2 3.98Å; Y601-H608 AromaticContact CD2-CD2 3.64Å; Y601-H608 HydrophobicContact CE1-CB 3.72Å; Y601-H608 AromaticContact CE1-CD2 3.8Å; Y601-H608 AromaticContact CE2-CD2 3.42Å; Y601-H608 VanDerWaalsContact CE2-CD2 3.42Å; Y601-H608 WeakPolarHBondContact CE2-CD2 3.26Å; Y601-H608 HydrophobicContact CG-CB 4.44Å; Y601-H608 AromaticContact CG-CD2 3.89Å; Y601-H608 AromaticContact CZ-CD2 3.49Å; Y601-H608 VanDerWaalsContact CZ-CD2 3.49Å
602	N	93.4	Very high	92.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	108.4	160.5	-179.8	-23.6	0	0	0	108	L579 E580 D585 L587 R604 T605 G606 A607	L579-N602 HydrophobicContact CD1-CB 3.94Å; L579-N602 HydrophobicContact CD2-CB 4.04Å; L579-N602 HydrophobicContact CG-CB 4.18Å; E580-N602 PolarHBondContact O-ND2 3.39Å; D585-N602 PolarHBondContact OD2-ND2 2.78Å; L587-N602 HydrophobicContact CD2-CB 4.2Å; N602-R604 PolarHBondContact O-N 2.87Å; N602-R604 WeakPolarHBondContact OD1-CB 3.23Å; N602-R604 PolarHBondContact OD1-N 2.86Å; N602-R604 VanDerWaalsContact OD1-N 3.13Å; N602-T605 WeakPolarHBondContact CB-OG1 3.43Å; N602-T605 PolarHBondContact O-N 3.31Å; N602-T605 PolarHBondContact O-OG1 3.03Å; N602-G606 WeakPolarHBondContact O-CA 3.19Å; N602-G606 PolarHBondContact O-N 3.07Å; N602-A607 PolarHBondContact N-O 2.95Å
603	M	89.8	Confident	92.8	Very high	23 Å²	23	53.5 Å²	53.5	11%	0.113	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-11.9	-170.3	-53.4	171	78.9	0	0	112.9	Y552 C554 K561 Q563 P586 L588	Y552-M603 VanDerWaalsContact O-CE 3.25Å; Y552-M603 WeakPolarHBondContact O-CE 3.38Å; C554-M603 HydrophobicContact CB-CE 4.29Å; C554-M603 WeakPolarHBondContact SG-CE 3.25Å; K561-M603 WeakPolarHBondContact O-CE 3.47Å; Q563-M603 VanDerWaalsContact CA-SD 3.58Å; Q563-M603 HydrophobicContact CB-SD 3.89Å; Q563-M603 HydrophobicContact CG-SD 4.43Å; P586-M603 HydrophobicContact CB-CB 4.24Å; P586-M603 HydrophobicContact CB-SD 4.45Å; P586-M603 HydrophobicContact CG-CB 4.1Å; P586-M603 WeakPolarHBondContact O-CB 3.41Å; P586-M603 WeakPolarHBondContact O-CG 3.3Å; P586-M603 PolarHBondContact O-N 3.16Å; L588-M603 HydrophobicContact CB-CG 4.15Å; L588-M603 HydrophobicContact CB-SD 3.97Å
604	R	87.8	Confident	93.1	Very high	119 Å²	119	61.1 Å²	61.1	45%	0.449	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-40	169.3	174.3	-175	57.7	113	-3.7	111.9	E582 D585 N602	E582-R604 IonicContact OE2-CZ 2.69Å; E582-R604 IonicContact OE2-NH1 2.62Å; E582-R604 PolarHBondContact OE2-NH1 2.79Å; E582-R604 IonicContact OE2-NH2 3.49Å; E582-R604 PolarHBondContact OE2-NH2 2.95Å; E582-R604 VanDerWaalsContact OE2-NH2 3.11Å; D585-R604 WeakPolarHBondContact OD1-CD 3.48Å; D585-R604 IonicContact OD1-CZ 3.66Å; D585-R604 IonicContact OD1-NE 2.73Å; D585-R604 PolarHBondContact OD1-NE 3.34Å; D585-R604 IonicContact OD1-NH2 2.96Å; D585-R604 PolarHBondContact OD1-NH2 3.23Å; D585-R604 IonicContact OD2-CZ 3.79Å; D585-R604 IonicContact OD2-NE 3.98Å; D585-R604 PolarHBondContact OD2-NE 2.8Å; D585-R604 IonicContact OD2-NH2 3.7Å; D585-R604 PolarHBondContact OD2-NH2 2.81Å; N602-R604 PolarHBondContact O-N 2.87Å; N602-R604 WeakPolarHBondContact OD1-CB 3.23Å; N602-R604 PolarHBondContact OD1-N 2.86Å; N602-R604 VanDerWaalsContact OD1-N 3.13Å
605	T	87	Confident	93.4	Very high	74 Å²	74	55.3 Å²	55.3	45%	0.454	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-19.1	-173.4	63.1	0	0	0	0	113.3	N602 A607	N602-T605 WeakPolarHBondContact CB-OG1 3.43Å; N602-T605 PolarHBondContact O-N 3.31Å; N602-T605 PolarHBondContact O-OG1 3.03Å; T605-A607 PolarHBondContact O-N 3.34Å; T605-A607 WeakPolarHBondContact OG1-CB 3.29Å; T605-A607 PolarHBondContact OG1-N 3.42Å
606	G	86.4	Confident	93.6	Very high	59 Å²	59	53.3 Å²	53.3	61%	0.608	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	3.3	-170.9	0	0	0	0	0	114	N602	N602-G606 WeakPolarHBondContact O-CA 3.19Å; N602-G606 PolarHBondContact O-N 3.07Å
607	A	91.1	Very high	93.6	Very high	43 Å²	43	49.2 Å²	49.2	36%	0.355	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	145.9	-179.9	0	0	0	0	0	111.5	L579 Y601 N602 T605	L579-A607 HydrophobicContact CD1-CB 3.67Å; L579-A607 WeakPolarHBondContact CD1-O 3.12Å; Y601-A607 CarbonylContact C-O 3.53Å; Y601-A607 VanDerWaalsContact CA-O 3.28Å; Y601-A607 WeakPolarHBondContact CA-O 3.28Å; N602-A607 PolarHBondContact N-O 2.95Å; T605-A607 PolarHBondContact O-N 3.34Å; T605-A607 WeakPolarHBondContact OG1-CB 3.29Å; T605-A607 PolarHBondContact OG1-N 3.42Å
608	H	94.6	Very high	93.4	Very high	84 Å²	84	52 Å²	52	39%	0.389	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.3	174.4	-176	-96.6	0	0	0	110.4	E599 G600 Y601	E599-H608 IonicContact OE1-CE1 2.75Å; G600-H608 WeakPolarHBondContact O-CA 3.24Å; G600-H608 PolarHBondContact O-CD2 3.3Å; Y601-H608 HydrophobicContact CD1-CB 3.81Å; Y601-H608 AromaticContact CD1-CD2 3.98Å; Y601-H608 AromaticContact CD2-CD2 3.64Å; Y601-H608 HydrophobicContact CE1-CB 3.72Å; Y601-H608 AromaticContact CE1-CD2 3.8Å; Y601-H608 AromaticContact CE2-CD2 3.42Å; Y601-H608 VanDerWaalsContact CE2-CD2 3.42Å; Y601-H608 WeakPolarHBondContact CE2-CD2 3.26Å; Y601-H608 HydrophobicContact CG-CB 4.44Å; Y601-H608 AromaticContact CG-CD2 3.89Å; Y601-H608 AromaticContact CZ-CD2 3.49Å; Y601-H608 VanDerWaalsContact CZ-CD2 3.49Å
609	G	95.4	Very high	92.9	Very high	7 Å²	7	51.5 Å²	51.5	7%	0.072	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	-169.3	175.2	0	0	0	0	0	113	D577 G600	D577-G609 CarbonylContact O-C 3.52Å; D577-G609 WeakPolarHBondContact O-CA 3.45Å; G600-G609 PolarHBondContact N-O 3.14Å; G600-G609 VanDerWaalsContact N-O 3.08Å; G600-G609 PolarHBondContact O-N 3.08Å
610	I	96.5	Very high	91.1	Very high	8 Å²	8	53 Å²	53	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.5	179.5	58.5	147.6	0	0	0	113.4	R128 D577 E578 L579 W597 Y598 E599	R128-I610 VanDerWaalsContact NH2-CD1 3.26Å; D577-I610 HydrophobicContact CB-CG1 4.32Å; D577-I610 WeakPolarHBondContact O-CG1 3.19Å; D577-I610 PolarHBondContact O-N 2.79Å; E578-I610 CarbonylContact C-O 3.49Å; E578-I610 WeakPolarHBondContact CA-O 3.37Å; E578-I610 HydrophobicContact CG-CD1 4.37Å; E578-I610 HydrophobicContact CG-CG1 4.3Å; L579-I610 PolarHBondContact N-O 3.25Å; W597-I610 HydrophobicContact CD2-CD1 4.17Å; W597-I610 HydrophobicContact CE3-CB 4.07Å; W597-I610 HydrophobicContact CE3-CD1 3.56Å; W597-I610 HydrophobicContact CE3-CG1 4.13Å; W597-I610 HydrophobicContact CH2-CD1 4.5Å; W597-I610 HydrophobicContact CZ3-CD1 3.75Å; W597-I610 HydrophobicContact CZ3-CG1 4.29Å; Y598-I610 CarbonylContact O-C 3.58Å; Y598-I610 VanDerWaalsContact O-CA 3.22Å; Y598-I610 WeakPolarHBondContact O-CA 3.26Å; E599-I610 HydrophobicContact CB-CG2 3.92Å; E599-I610 HydrophobicContact CG-CG2 3.85Å
611	F	97.4	Very high	89.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156	172.9	58.2	-86.1	0	0	0	111.1	F571 L579 L581 L587 V589 W597 Y598 A616	F571-F611 HydrophobicContact CD1-CB 3.67Å; F571-F611 HydrophobicContact CE1-CB 3.9Å; L579-F611 HydrophobicContact CB-CD1 4.3Å; L579-F611 HydrophobicContact CD2-CD1 3.78Å; L579-F611 HydrophobicContact CD2-CE1 3.94Å; L581-F611 HydrophobicContact CD1-CB 3.92Å; L581-F611 HydrophobicContact CD1-CD1 4.49Å; L581-F611 HydrophobicContact CD1-CD2 3.73Å; L581-F611 HydrophobicContact CD1-CE2 4.32Å; L581-F611 HydrophobicContact CD1-CG 3.81Å; L581-F611 HydrophobicContact CD2-CD1 4.48Å; L587-F611 HydrophobicContact CD1-CE1 4.4Å; L587-F611 HydrophobicContact CD1-CE2 3.89Å; L587-F611 HydrophobicContact CD1-CZ 3.65Å; V589-F611 HydrophobicContact CG2-CZ 3.73Å; W597-F611 WeakPolarHBondContact CA-O 3.41Å; Y598-F611 AromaticContact CD2-CE2 3.8Å; Y598-F611 HydrophobicContact CD2-CE2 3.8Å; Y598-F611 HydrophobicContact CD2-CZ 4.17Å; Y598-F611 HydrophobicContact CG-CE2 4.28Å; Y598-F611 HydrophobicContact CG-CZ 4.49Å; Y598-F611 PolarHBondContact N-O 3.01Å; Y598-F611 PolarHBondContact O-N 2.95Å; F611-A616 HydrophobicContact CE2-CB 3.75Å
612	P	96.9	Very high	86.9	Confident	27 Å²	27	61.3 Å²	61.3	18%	0.175	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	134.7	-178.9	-11.4	26.1	0	0	0	110.3	F571 W597 Y614 Y615	F571-P612 HydrophobicContact CE2-CG 4.1Å; F571-P612 HydrophobicContact CZ-CG 4.23Å; W597-P612 HydrophobicContact CE3-CG 4.21Å; W597-P612 HydrophobicContact CH2-CG 3.84Å; W597-P612 HydrophobicContact CZ2-CG 4.15Å; W597-P612 HydrophobicContact CZ3-CG 3.86Å; P612-Y614 PolarHBondContact O-N 2.82Å; P612-Y615 HydrophobicContact CB-CD2 3.86Å; P612-Y615 HydrophobicContact CB-CE2 4.21Å; P612-Y615 HydrophobicContact CG-CD2 3.89Å; P612-Y615 HydrophobicContact CG-CE2 4Å; P612-Y615 WeakPolarHBondContact O-CB 2.94Å; P612-Y615 PolarHBondContact O-N 3.44Å
613	A	94.6	Very high	84.9	Confident	12 Å²	12	66.7 Å²	66.7	10%	0.099	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-51.1	-39.6	-172.6	0	0	0	0	0	113.7	Y596 Y598 Y615 A616	Y596-A613 WeakPolarHBondContact O-CB 3.46Å; Y596-A613 PolarHBondContact O-N 2.64Å; Y598-A613 HydrophobicContact CD1-CB 3.74Å; Y598-A613 HydrophobicContact CD2-CB 4.08Å; Y598-A613 HydrophobicContact CE1-CB 3.49Å; Y598-A613 VanDerWaalsContact CE1-CB 3.49Å; Y598-A613 HydrophobicContact CE2-CB 3.82Å; Y598-A613 HydrophobicContact CG-CB 4.06Å; A613-Y615 PolarHBondContact O-N 3.05Å; A613-A616 PolarHBondContact O-N 3.23Å; A613-A616 VanDerWaalsContact O-O 3.11Å
614	Y	94.6	Very high	82.7	Confident	178 Å²	178	71.7 Å²	71.7	70%	0.698	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-61.2	-13.7	179.2	-169.8	-98.6	0	0	0	114.9	Y569 P612 A616	Y569-Y614 HydrophobicContact CD2-CD1 4.42Å; Y569-Y614 HydrophobicContact CD2-CE1 4.32Å; Y569-Y614 HydrophobicContact CE2-CD1 4.1Å; Y569-Y614 AromaticContact CE2-CE1 3.62Å; Y569-Y614 HydrophobicContact CE2-CE1 3.62Å; P612-Y614 PolarHBondContact O-N 2.82Å; Y614-A616 VanDerWaalsContact C-N 3.28Å
615	Y	95.3	Very high	80.2	Confident	75 Å²	75	71.4 Å²	71.4	29%	0.294	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-81.6	-7	175.9	-76.3	-109.3	0	0	0	113.1	A567 V568 F571 P612 A613	A567-Y615 CarbonylContact C-O 3.55Å; A567-Y615 WeakPolarHBondContact CA-O 3.34Å; V568-Y615 PolarHBondContact N-O 3.44Å; F571-Y615 HydrophobicContact CB-CD1 3.65Å; F571-Y615 HydrophobicContact CB-CE1 4.04Å; F571-Y615 HydrophobicContact CB-CG 4.31Å; F571-Y615 HydrophobicContact CD2-CD1 4.24Å; F571-Y615 AromaticContact CD2-CE1 3.99Å; F571-Y615 HydrophobicContact CD2-CE1 3.99Å; F571-Y615 HydrophobicContact CG-CD1 4.24Å; F571-Y615 HydrophobicContact CG-CE1 4.41Å; P612-Y615 HydrophobicContact CB-CD2 3.86Å; P612-Y615 HydrophobicContact CB-CE2 4.21Å; P612-Y615 HydrophobicContact CG-CD2 3.89Å; P612-Y615 HydrophobicContact CG-CE2 4Å; P612-Y615 WeakPolarHBondContact O-CB 2.94Å; P612-Y615 PolarHBondContact O-N 3.44Å; A613-Y615 PolarHBondContact O-N 3.05Å
616	A	94.5	Very high	78	Confident	10 Å²	10	78 Å²	78	8%	0.083	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153	177.5	0	0	0	0	0	112.8	H565 R566 L587 F611 A613 Y614	H565-A616 HydrophobicContact CB-CB 4.17Å; R566-A616 CarbonylContact O-C 3.55Å; R566-A616 VanDerWaalsContact O-CA 3.27Å; R566-A616 WeakPolarHBondContact O-CA 3.32Å; L587-A616 HydrophobicContact CD1-CB 3.74Å; F611-A616 HydrophobicContact CE2-CB 3.75Å; A613-A616 PolarHBondContact O-N 3.23Å; A613-A616 VanDerWaalsContact O-O 3.11Å; Y614-A616 VanDerWaalsContact C-N 3.28Å
617	I	92.5	Very high	75.9	Confident	104 Å²	104	83.9 Å²	83.9	53%	0.533	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.6	168.3	-80.1	169.3	0	0	0	108.2	H565 R566 V568 V619	H565-I617 CarbonylContact C-O 3.57Å; H565-I617 VanDerWaalsContact CA-O 3.24Å; H565-I617 WeakPolarHBondContact CA-O 3.14Å; R566-I617 PolarHBondContact N-O 3.1Å; R566-I617 PolarHBondContact O-N 2.83Å; V568-I617 HydrophobicContact CG2-CB 3.92Å; V568-I617 HydrophobicContact CG2-CD1 3.61Å; V568-I617 HydrophobicContact CG2-CG1 3.61Å; I617-V619 PolarHBondContact O-N 2.82Å
618	E	91.7	Very high	73.5	Confident	123 Å²	123	87.9 Å²	87.9	58%	0.575	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	121	171.8	-172.8	168.6	-150.8	0	0	109.9	T564 H565 N620	T564-E618 CarbonylContact O-C 3.58Å; T564-E618 WeakPolarHBondContact O-CA 3.43Å; H565-E618 PolarHBondContact CD2-N 2.8Å; E618-N620 PolarHBondContact O-N 3.13Å
619	V	85.6	Confident	71.2	Confident	27 Å²	27	94 Å²	94	16%	0.164	46%	0.463	C	S	.	.			trans	-90.2	91.7	171.9	-171.8	0	0	0	0	106.5	L551 T564 R566 I617 R621	L551-V619 HydrophobicContact CD2-CB 4.21Å; L551-V619 HydrophobicContact CD2-CG1 3.42Å; L551-V619 VanDerWaalsContact CD2-CG1 3.42Å; T564-V619 PolarHBondContact O-N 2.89Å; R566-V619 HydrophobicContact CB-CG2 3.43Å; R566-V619 VanDerWaalsContact CB-CG2 3.43Å; I617-V619 PolarHBondContact O-N 2.82Å; V619-R621 PolarHBondContact O-N 3.32Å; V619-R621 VanDerWaalsContact O-N 3.1Å
620	N	59.9	Low	68.6	Low	109 Å²	109	98.8 Å²	98.8	58%	0.583	50%	0.495	S	S	*	.			trans	-39.2	112.3	-171	-168.1	17.3	0	0	0	112.8	E618 D622	E618-N620 PolarHBondContact O-N 3.13Å; N620-D622 PolarHBondContact O-N 2.84Å
621	R	52.8	Low	66.3	Low	101 Å²	101	103.5 Å²	103.5	38%	0.381	53%	0.529	S	S	.	.			trans	-70.2	120.2	164.8	-73.5	-173.6	175.4	-164.7	4.6	107.1	L551 D562 Q563 V619 T623	L551-R621 HydrophobicContact CD1-CG 4.12Å; D562-R621 PolarHBondContact O-NH2 2.82Å; D562-R621 IonicContact OD2-CZ 2.75Å; D562-R621 IonicContact OD2-NH1 2.67Å; D562-R621 IonicContact OD2-NH2 3.81Å; Q563-R621 PolarHBondContact O-NE 2.88Å; V619-R621 PolarHBondContact O-N 3.32Å; V619-R621 VanDerWaalsContact O-N 3.1Å; R621-T623 PolarHBondContact O-N 2.98Å
622	D	47.2	Very low	64.9	Low	105 Å²	105	108.5 Å²	108.5	56%	0.561	55%	0.552	S	S	*	*	S	Bend	trans	-74.1	45	-167.3	-132.1	-13.6	0	0	0	114	N620 K686	N620-D622 PolarHBondContact O-N 2.84Å; D622-K686 PolarHBondContact O-NZ 2.95Å; D622-K686 VanDerWaalsContact OD1-CE 3.26Å; D622-K686 WeakPolarHBondContact OD1-CE 3.11Å; D622-K686 IonicContact OD1-NZ 2.74Å
623	T	52.1	Low	64.3	Low	113 Å²	113	109.6 Å²	109.6	69%	0.693	55%	0.553	S	S	*	*	S	Bend	trans	-159.6	135.8	178.7	-68.4	0	0	0	0	111.8	R621	R621-T623 PolarHBondContact O-N 2.98Å
624	D	43.1	Very low	63.9	Low	128 Å²	128	112.6 Å²	112.6	68%	0.684	57%	0.566	S	S	*	*	S	Bend	trans	89	-0.9	160.2	-83.5	1.6	0	0	0	124.2
625	C	34.7	Very low	63.8	Low	113 Å²	113	106.2 Å²	106.2	76%	0.764	54%	0.544	S	S	*	.	S	Bend	trans	-98	20.5	175.3	-153.9	0	0	0	0	117.4
626	Y	41.4	Very low	63.8	Low	213 Å²	213	110.6 Å²	110.6	84%	0.835	56%	0.56	S	S	*	*			trans	-130.6	71.5	169.2	-72.9	-72.7	0	0	0	113	V628	Y626-V628 PolarHBondContact O-N 3.13Å
627	K	41.2	Very low	63.8	Low	182 Å²	182	112.7 Å²	112.7	79%	0.791	57%	0.566	S	S	*	*			trans	-76.7	45.5	172.2	-74.9	-178	177.8	166.5	0	113.5
628	V	42.1	Very low	63.8	Low	126 Å²	126	117.1 Å²	117.1	76%	0.764	58%	0.576	S	S	*	*	S	Bend	trans	-126.4	84.4	171.2	-174.1	0	0	0	0	110	Y626 S630	Y626-V628 PolarHBondContact O-N 3.13Å; V628-S630 PolarHBondContact O-N 2.88Å
629	K	45.2	Very low	63.8	Low	212 Å²	212	111.5 Å²	111.5	92%	0.922	55%	0.55	S	S	*	.	S	Bend	trans	36.5	68.6	159.2	-64.1	-177.5	179.5	174.7	0	117.3
630	S	41.6	Very low	64.1	Low	108 Å²	108	112.7 Å²	112.7	76%	0.755	55%	0.553	S	S	*	*			trans	-137.6	136.6	139.6	-161.4	0	0	0	0	109.5	V628 E632	V628-S630 PolarHBondContact O-N 2.88Å; S630-E632 PolarHBondContact O-N 3.21Å
631	S	47.7	Very low	65.7	Low	107 Å²	107	108.8 Å²	108.8	75%	0.748	53%	0.53	S	S	*	.			trans	-69.7	123.9	158.6	179.5	0	0	0	0	105.6	W633	S631-W633 PolarHBondContact O-N 2.87Å
632	E	68.5	Low	67.5	Low	106 Å²	106	104.5 Å²	104.5	50%	0.495	52%	0.515	S	S	.	.			trans	-54.8	102.4	176.8	-171.7	178.5	-153.5	0	0	108.1	S630 M634 K686	S630-E632 PolarHBondContact O-N 3.21Å; E632-M634 PolarHBondContact O-N 3.36Å; E632-K686 WeakPolarHBondContact OE1-CE 3.13Å; E632-K686 IonicContact OE1-NZ 3.18Å; E632-K686 PolarHBondContact OE1-NZ 2.87Å
633	W	83.2	Confident	69.5	Low	50 Å²	50	100.1 Å²	100.1	19%	0.189	49%	0.494	C	S	.	.			trans	-77.3	119.2	-165.5	160.2	74.8	0	0	0	108	S631 D635 I683 S756 K759 A760 L763	S631-W633 PolarHBondContact O-N 2.87Å; W633-D635 HydrophobicContact CZ2-CB 4.07Å; W633-D635 VanDerWaalsContact CZ2-CG 3.48Å; W633-D635 WeakPolarHBondContact CZ2-OD2 3.2Å; W633-D635 PolarHBondContact NE1-OD1 2.96Å; W633-I683 HydrophobicContact CH2-CG2 4.28Å; W633-S756 VanDerWaalsContact CH2-O 3.3Å; W633-S756 WeakPolarHBondContact CH2-O 3.44Å; W633-K759 HydrophobicContact CD2-CD 4.34Å; W633-K759 VanDerWaalsContact CD2-NZ 3.3Å; W633-K759 HydrophobicContact CE3-CD 4.43Å; W633-K759 HydrophobicContact CH2-CB 4.25Å; W633-K759 HydrophobicContact CH2-CD 3.89Å; W633-K759 HydrophobicContact CH2-CG 4.1Å; W633-K759 HydrophobicContact CZ2-CD 3.73Å; W633-K759 HydrophobicContact CZ2-CG 4.44Å; W633-K759 HydrophobicContact CZ3-CD 4.23Å; W633-K759 HydrophobicContact CZ3-CG 4.21Å; W633-K759 VanDerWaalsContact NE1-NZ 3.13Å; W633-A760 HydrophobicContact CH2-CB 4.29Å; W633-A760 HydrophobicContact CZ3-CB 3.99Å; W633-L763 HydrophobicContact CE3-CD1 3.86Å; W633-L763 HydrophobicContact CZ3-CD1 4.19Å
634	M	87.4	Confident	71.4	Confident	75 Å²	75	95.9 Å²	95.9	37%	0.369	47%	0.469	S	S	.	.			trans	-133.6	110.9	-177	-177.3	-176.6	-69.8	0	0	110.4	E632 E682 I683	E632-M634 PolarHBondContact O-N 3.36Å; M634-E682 HydrophobicContact CG-CB 4.32Å; M634-E682 HydrophobicContact SD-CB 4.09Å; M634-I683 VanDerWaalsContact CA-O 3.27Å; M634-I683 WeakPolarHBondContact CA-O 3.41Å
635	D	93	Very high	73.8	Confident	43 Å²	43	90.6 Å²	90.6	23%	0.23	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	148.9	171.2	-77	1.5	0	0	0	110.6	W633 Y637 E682 I683 S756	W633-D635 HydrophobicContact CZ2-CB 4.07Å; W633-D635 VanDerWaalsContact CZ2-CG 3.48Å; W633-D635 WeakPolarHBondContact CZ2-OD2 3.2Å; W633-D635 PolarHBondContact NE1-OD1 2.96Å; D635-Y637 HydrophobicContact CB-CE2 3.74Å; D635-Y637 PolarHBondContact OD2-OH 2.83Å; D635-E682 WeakPolarHBondContact O-CA 3.26Å; D635-I683 PolarHBondContact N-O 2.94Å; D635-I683 VanDerWaalsContact N-O 3.12Å; D635-I683 PolarHBondContact O-N 2.8Å; D635-S756 WeakPolarHBondContact OD2-CB 3.34Å; D635-S756 PolarHBondContact OD2-OG 3.46Å
636	R	94	Very high	76.7	Confident	168 Å²	168	90.4 Å²	90.4	63%	0.634	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.2	-176.4	-73	178.8	164.5	136	-1.7	111.8	V680 L681 E682	R636-V680 HydrophobicContact CB-CG1 4.45Å; R636-L681 CarbonylContact C-O 3.55Å; R636-L681 WeakPolarHBondContact CA-O 3.47Å; R636-E682 HydrophobicContact CG-CB 4.4Å; R636-E682 HydrophobicContact CG-CG 4.26Å; R636-E682 IonicContact CZ-OE1 2.71Å; R636-E682 IonicContact NE-OE1 2.67Å; R636-E682 PolarHBondContact NE-OE1 2.86Å; R636-E682 IonicContact NH2-OE1 2.73Å; R636-E682 PolarHBondContact NH2-OE1 3.21Å
637	Y	93.9	Very high	79.3	Confident	54 Å²	54	80.7 Å²	80.7	21%	0.212	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.9	179.9	-63	-89.1	0	0	0	111.7	D635 V680 L681 I683 P752 L753 S756	D635-Y637 HydrophobicContact CB-CE2 3.74Å; D635-Y637 PolarHBondContact OD2-OH 2.83Å; Y637-V680 WeakPolarHBondContact O-CA 3.39Å; Y637-L681 PolarHBondContact N-O 2.95Å; Y637-L681 PolarHBondContact O-N 2.85Å; Y637-I683 HydrophobicContact CD2-CD1 3.53Å; Y637-I683 HydrophobicContact CE2-CD1 3.64Å; Y637-P752 HydrophobicContact CE1-CB 4.21Å; Y637-P752 PolarHBondContact OH-O 2.9Å; Y637-P752 VanDerWaalsContact OH-O 3.13Å; Y637-L753 HydrophobicContact CD1-CB 3.99Å; Y637-L753 HydrophobicContact CD2-CB 4.25Å; Y637-L753 HydrophobicContact CD2-CD1 3.66Å; Y637-L753 HydrophobicContact CE1-CB 4.07Å; Y637-L753 HydrophobicContact CE2-CB 4.32Å; Y637-L753 HydrophobicContact CE2-CD1 4.15Å; Y637-L753 HydrophobicContact CG-CB 4.08Å; Y637-L753 HydrophobicContact CG-CD1 3.98Å; Y637-L753 HydrophobicContact CG-CG 4.49Å; Y637-S756 PolarHBondContact OH-OG 3.07Å; Y637-S756 VanDerWaalsContact OH-OG 3.07Å
638	R	92.6	Very high	81.7	Confident	196 Å²	196	76.6 Å²	76.6	74%	0.74	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	126	169.6	-55.8	-176.7	-159	-89.7	-0.7	109.2
639	L	93.3	Very high	84.2	Confident	6 Å²	6	77.7 Å²	77.7	3%	0.031	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	176.4	-176.2	-58.5	171.9	0	0	0	109.9	F678 C679 L681 F744 T750 L753	L639-F678 WeakPolarHBondContact O-CA 3.31Å; L639-C679 PolarHBondContact N-O 3.12Å; L639-C679 PolarHBondContact O-N 2.9Å; L639-L681 HydrophobicContact CD1-CD1 3.51Å; L639-L681 HydrophobicContact CD1-CG 3.84Å; L639-F744 HydrophobicContact CB-CB 4.29Å; L639-F744 HydrophobicContact CB-CD1 4.28Å; L639-F744 HydrophobicContact CD1-CB 3.85Å; L639-F744 HydrophobicContact CD1-CD1 4.02Å; L639-F744 HydrophobicContact CD1-CG 3.97Å; L639-T750 HydrophobicContact CD2-CG2 4.4Å; L639-L753 HydrophobicContact CD1-CD2 3.51Å; L639-L753 HydrophobicContact CD2-CD2 4.02Å; L639-L753 HydrophobicContact CG-CD2 4.35Å
640	K	92	Very high	86.4	Confident	51 Å²	51	71.4 Å²	71.4	22%	0.222	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124	167.4	-75.3	166.1	179.2	165.3	0	109	L642 P676 S677 F678 F744 V745 E747	K640-L642 PolarHBondContact O-N 2.85Å; K640-P676 HydrophobicContact CB-CB 4.07Å; K640-S677 WeakPolarHBondContact CA-O 3.12Å; K640-F678 HydrophobicContact CD-CE1 4.34Å; K640-F678 HydrophobicContact CG-CD1 4Å; K640-F678 HydrophobicContact CG-CE1 4.19Å; K640-F678 HydrophobicContact CG-CG 4.41Å; K640-F744 WeakPolarHBondContact O-CA 3.05Å; K640-V745 HydrophobicContact CB-CG1 3.85Å; K640-V745 PolarHBondContact N-O 3.45Å; K640-V745 PolarHBondContact O-N 2.89Å; K640-E747 IonicContact NZ-OE1 3.32Å; K640-E747 PolarHBondContact NZ-OE1 3.11Å
641	F	91.7	Very high	88.8	Confident	27 Å²	27	72.5 Å²	72.5	12%	0.118	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.7	-176.9	180	-131.5	0	0	0	110.6	G643 S644 R667 S677 L690 F744	F641-G643 VanDerWaalsContact CE2-C 3.49Å; F641-G643 WeakPolarHBondContact CE2-O 3.49Å; F641-G643 VanDerWaalsContact CZ-CA 3.47Å; F641-S644 WeakPolarHBondContact CZ-OG 3.41Å; F641-R667 PolarHBondContact O-NH1 2.9Å; F641-S677 PolarHBondContact N-O 3.06Å; F641-L690 HydrophobicContact CE2-CD2 4.45Å; F641-F744 HydrophobicContact CB-CD1 4.34Å; F641-F744 HydrophobicContact CB-CE1 4.26Å; F641-F744 AromaticContact CD2-CD1 3.94Å; F641-F744 HydrophobicContact CD2-CD1 3.94Å; F641-F744 AromaticContact CD2-CE1 3.45Å; F641-F744 HydrophobicContact CD2-CE1 3.45Å; F641-F744 VanDerWaalsContact CD2-CE1 3.45Å; F641-F744 AromaticContact CD2-CZ 3.79Å; F641-F744 HydrophobicContact CD2-CZ 3.79Å; F641-F744 HydrophobicContact CE2-CE1 4.16Å; F641-F744 HydrophobicContact CE2-CZ 4.04Å; F641-F744 HydrophobicContact CG-CE1 4.22Å
642	L	90.8	Very high	91	Very high	12 Å²	12	68.2 Å²	68.2	6%	0.063	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-8.4	178.6	-63.6	-174.7	0	0	0	113.3	K640 I663 R667 P676 Y726 V743 V745	K640-L642 PolarHBondContact O-N 2.85Å; L642-I663 HydrophobicContact CB-CG2 3.59Å; L642-I663 WeakPolarHBondContact O-CG2 3.48Å; L642-R667 PolarHBondContact O-NE 3.15Å; L642-R667 PolarHBondContact O-NH2 2.92Å; L642-P676 HydrophobicContact CD2-CB 3.88Å; L642-P676 HydrophobicContact CD2-CG 3.62Å; L642-Y726 HydrophobicContact CD1-CD1 3.86Å; L642-Y726 HydrophobicContact CD1-CE1 3.45Å; L642-Y726 VanDerWaalsContact CD1-CE1 3.45Å; L642-V743 WeakPolarHBondContact CA-O 3.25Å; L642-V743 HydrophobicContact CB-CG1 4.24Å; L642-V743 WeakPolarHBondContact CB-O 3.43Å; L642-V743 HydrophobicContact CD1-CG1 4.18Å; L642-V743 PolarHBondContact N-O 2.82Å; L642-V745 HydrophobicContact CD1-CB 3.9Å; L642-V745 HydrophobicContact CD1-CG1 4.03Å; L642-V745 HydrophobicContact CD2-CG1 3.83Å; L642-V745 HydrophobicContact CG-CB 4.22Å; L642-V745 HydrophobicContact CG-CG1 3.93Å
643	G	89.8	Confident	92.1	Very high	12 Å²	12	68.2 Å²	68.2	12%	0.124	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	114	-164.5	177.8	0	0	0	0	0	112.4	F641 V743	F641-G643 VanDerWaalsContact CE2-C 3.49Å; F641-G643 WeakPolarHBondContact CE2-O 3.49Å; F641-G643 VanDerWaalsContact CZ-CA 3.47Å; G643-V743 PolarHBondContact O-N 2.89Å
644	S	91.8	Very high	92.7	Very high	24 Å²	24	71.2 Å²	71.2	17%	0.168	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.3	-178.8	-57	0	0	0	0	110.3	F641 C741 H742	F641-S644 WeakPolarHBondContact CZ-OG 3.41Å; S644-C741 CarbonylContact C-O 3.58Å; S644-C741 VanDerWaalsContact CA-O 3.24Å; S644-C741 WeakPolarHBondContact CA-O 3.43Å; S644-H742 PolarHBondContact OG-ND1 2.88Å
645	V	94.3	Very high	93.1	Very high	17 Å²	17	68 Å²	68	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	139.1	-177.9	68.5	0	0	0	0	110.5	V647 A659 K662 I663 C741	V645-V647 HydrophobicContact CG1-CG1 4.47Å; V645-A659 HydrophobicContact CG1-CB 3.73Å; V645-K662 HydrophobicContact CG2-CD 3.81Å; V645-K662 HydrophobicContact CG2-CG 4.49Å; V645-I663 HydrophobicContact CB-CD1 3.9Å; V645-I663 HydrophobicContact CB-CG1 4.09Å; V645-I663 HydrophobicContact CG1-CD1 3.65Å; V645-I663 HydrophobicContact CG1-CG1 4.02Å; V645-C741 HydrophobicContact CG1-CB 4.37Å; V645-C741 PolarHBondContact N-O 2.82Å; V645-C741 PolarHBondContact O-N 2.77Å
646	Q	94.9	Very high	93.1	Very high	109 Å²	109	66 Å²	66	51%	0.509	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	138.1	172.2	-167.7	-175.6	12.3	0	0	110.6	F739	Q646-F739 WeakPolarHBondContact CA-O 3.36Å
647	V	95.5	Very high	93.2	Very high	10 Å²	10	59.1 Å²	59.1	6%	0.061	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.3	176.8	-68.4	0	0	0	0	110.7	V645 Y649 V655 A659 I730 F739 C741	V645-V647 HydrophobicContact CG1-CG1 4.47Å; V647-Y649 WeakPolarHBondContact CG2-O 3.34Å; V647-V655 HydrophobicContact CB-CG1 3.79Å; V647-V655 HydrophobicContact CG1-CG1 4.09Å; V647-V655 HydrophobicContact CG2-CG1 4.28Å; V647-A659 HydrophobicContact CG1-CB 3.74Å; V647-I730 HydrophobicContact CG2-CD1 4.38Å; V647-I730 HydrophobicContact CG2-CG2 3.72Å; V647-F739 HydrophobicContact CG2-CB 3.76Å; V647-F739 PolarHBondContact N-O 3.14Å; V647-C741 HydrophobicContact CG1-CB 3.62Å; V647-C741 HydrophobicContact CG2-CB 4.24Å
648	P	93.4	Very high	93.3	Very high	96 Å²	96	59.3 Å²	59.3	62%	0.623	30%	0.301	S	S	*	.	S	Bend	trans	-76	-22.3	-175	29.4	-35.5	0	0	0	113.8
649	Y	93.9	Very high	93.4	Very high	149 Å²	149	50.1 Å²	50.1	58%	0.584	27%	0.267	S	S	*	.			trans	-132.7	152.7	-174.7	-52.5	-61	0	0	0	111.6	V647 V655	V647-Y649 WeakPolarHBondContact CG2-O 3.34Å; Y649-V655 HydrophobicContact CD2-CG2 3.89Å
650	H	91.3	Very high	93.5	Very high	79 Å²	79	50 Å²	50	37%	0.366	27%	0.266	S	S	.	.	S	Bend	trans	-82.6	-10.5	-175.9	77	91.1	0	0	0	114.7	S715 F716 F739	H650-S715 CarbonylContact O-C 3.56Å; H650-S715 WeakPolarHBondContact O-CB 3.49Å; H650-S715 PolarHBondContact O-OG 3.4Å; H650-F716 VanDerWaalsContact O-CB 3.29Å; H650-F716 WeakPolarHBondContact O-CB 3.46Å; H650-F739 HydrophobicContact CB-CD1 3.62Å; H650-F739 HydrophobicContact CB-CD2 4.45Å; H650-F739 HydrophobicContact CB-CE1 3.5Å; H650-F739 HydrophobicContact CB-CE2 4.34Å; H650-F739 HydrophobicContact CB-CG 4.13Å; H650-F739 HydrophobicContact CB-CZ 3.89Å
651	K	92.3	Very high	93.5	Very high	131 Å²	131	53.2 Å²	53.2	57%	0.57	28%	0.282	S	S	*	.			trans	-150	156.8	-179.3	60.6	177.3	174.9	175.1	0	110.6	F716	K651-F716 HydrophobicContact CB-CB 4.14Å; K651-F716 HydrophobicContact CB-CD2 4.05Å; K651-F716 HydrophobicContact CB-CG 4.13Å
652	G	93	Very high	93.6	Very high	17 Å²	17	57.3 Å²	57.3	18%	0.175	30%	0.3	C	S	.	.			trans	136.4	131.1	176.5	0	0	0	0	0	112.8	D654 V655 L656 F716	G652-D654 VanDerWaalsContact C-N 3.32Å; G652-D654 WeakPolarHBondContact CA-OD1 3.47Å; G652-V655 PolarHBondContact O-N 2.79Å; G652-L656 WeakPolarHBondContact O-CB 3.27Å; G652-L656 PolarHBondContact O-N 3.17Å; G652-F716 WeakPolarHBondContact O-CE1 3.34Å
653	N	93	Very high	93.6	Very high	106 Å²	106	57.3 Å²	57.3	57%	0.567	30%	0.3	S	S	*	.	H	α-helix	trans	-67.5	-36	175.3	-77.3	-40.8	0	0	0	111.6	C657	N653-C657 VanDerWaalsContact O-CB 3.3Å; N653-C657 WeakPolarHBondContact O-CB 3.42Å; N653-C657 PolarHBondContact O-N 3.38Å; N653-C657 PolarHBondContact O-SG 3.2Å
654	D	94.9	Very high	93.6	Very high	113 Å²	113	57.9 Å²	57.9	60%	0.604	30%	0.304	S	S	*	.	H	α-helix	trans	-61.2	-48.2	171.4	64.7	-48.5	0	0	0	111.8	G652 L656 C657 A658	G652-D654 VanDerWaalsContact C-N 3.32Å; G652-D654 WeakPolarHBondContact CA-OD1 3.47Å; D654-L656 PolarHBondContact O-N 2.7Å; D654-C657 PolarHBondContact O-N 2.92Å; D654-A658 VanDerWaalsContact O-CB 3.31Å; D654-A658 WeakPolarHBondContact O-CB 3.37Å; D654-A658 PolarHBondContact O-N 3.41Å
655	V	95.3	Very high	93.4	Very high	9 Å²	9	60.5 Å²	60.5	6%	0.055	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-46.7	178.4	-177.8	0	0	0	0	110.5	V647 Y649 G652 A658 A659 I730	V647-V655 HydrophobicContact CB-CG1 3.79Å; V647-V655 HydrophobicContact CG1-CG1 4.09Å; V647-V655 HydrophobicContact CG2-CG1 4.28Å; Y649-V655 HydrophobicContact CD2-CG2 3.89Å; G652-V655 PolarHBondContact O-N 2.79Å; V655-A658 PolarHBondContact O-N 2.84Å; V655-A659 WeakPolarHBondContact O-CB 3.34Å; V655-A659 PolarHBondContact O-N 2.9Å; V655-I730 HydrophobicContact CG1-CD1 4.11Å
656	L	94.2	Very high	93.1	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-46.2	177.2	-174.9	66.5	0	0	0	111.6	G652 D654 A659 M660 F716	G652-L656 WeakPolarHBondContact O-CB 3.27Å; G652-L656 PolarHBondContact O-N 3.17Å; D654-L656 PolarHBondContact O-N 2.7Å; L656-A659 PolarHBondContact O-N 3.49Å; L656-M660 HydrophobicContact CD1-CE 3.92Å; L656-M660 HydrophobicContact CD2-CE 3.98Å; L656-M660 HydrophobicContact CG-CE 3.69Å; L656-M660 HydrophobicContact CG-SD 4.14Å; L656-M660 WeakPolarHBondContact O-CB 3.24Å; L656-M660 VanDerWaalsContact O-CG 3.23Å; L656-M660 WeakPolarHBondContact O-CG 3.24Å; L656-M660 PolarHBondContact O-N 3.04Å; L656-F716 HydrophobicContact CB-CE1 4.31Å; L656-F716 HydrophobicContact CD2-CE1 4.1Å
657	C	95.1	Very high	92.4	Very high	23 Å²	23	62.5 Å²	62.5	16%	0.155	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-40.4	177.8	-70	0	0	0	0	112.4	N653 D654 M660 Q661 H720 P721	N653-C657 VanDerWaalsContact O-CB 3.3Å; N653-C657 WeakPolarHBondContact O-CB 3.42Å; N653-C657 PolarHBondContact O-N 3.38Å; N653-C657 PolarHBondContact O-SG 3.2Å; D654-C657 PolarHBondContact O-N 2.92Å; C657-M660 PolarHBondContact O-N 3.01Å; C657-Q661 VanDerWaalsContact O-CB 3.28Å; C657-Q661 WeakPolarHBondContact O-CB 3.43Å; C657-Q661 PolarHBondContact O-N 2.87Å; C657-H720 VanDerWaalsContact SG-CD2 3.5Å; C657-P721 WeakPolarHBondContact SG-CD 3.35Å
658	A	95.6	Very high	91.7	Very high	57 Å²	57	71.4 Å²	71.4	47%	0.471	36%	0.357	S	S	.	.	H	α-helix	trans	-63.7	-42.1	176.1	0	0	0	0	0	111.7	D654 V655 Q661 K662	D654-A658 VanDerWaalsContact O-CB 3.31Å; D654-A658 WeakPolarHBondContact O-CB 3.37Å; D654-A658 PolarHBondContact O-N 3.41Å; V655-A658 PolarHBondContact O-N 2.84Å; A658-Q661 PolarHBondContact O-N 3.33Å; A658-K662 VanDerWaalsContact O-CB 3.25Å; A658-K662 WeakPolarHBondContact O-CB 3.49Å; A658-K662 PolarHBondContact O-N 2.82Å
659	A	95.6	Very high	90.5	Very high	4 Å²	4	73.9 Å²	73.9	3%	0.033	36%	0.362	C	S	.	.	H	α-helix	trans	-62.8	-47.5	174.6	0	0	0	0	0	112.3	V645 V647 V655 L656 Q661 K662 I663 C741	V645-A659 HydrophobicContact CG1-CB 3.73Å; V647-A659 HydrophobicContact CG1-CB 3.74Å; V655-A659 WeakPolarHBondContact O-CB 3.34Å; V655-A659 PolarHBondContact O-N 2.9Å; L656-A659 PolarHBondContact O-N 3.49Å; A659-Q661 PolarHBondContact O-N 3.31Å; A659-K662 PolarHBondContact O-N 2.79Å; A659-I663 PolarHBondContact O-N 2.91Å; A659-C741 HydrophobicContact CB-CB 3.69Å
660	M	94.7	Very high	89.7	Confident	3 Å²	3	70 Å²	70	2%	0.015	35%	0.354	C	S	.	.	H	α-helix	trans	-57.2	-46.4	174	-71.5	166.6	170.2	0	0	111.8	L656 C657 I663 A664 H720 G728 V743	L656-M660 HydrophobicContact CD1-CE 3.92Å; L656-M660 HydrophobicContact CD2-CE 3.98Å; L656-M660 HydrophobicContact CG-CE 3.69Å; L656-M660 HydrophobicContact CG-SD 4.14Å; L656-M660 WeakPolarHBondContact O-CB 3.24Å; L656-M660 VanDerWaalsContact O-CG 3.23Å; L656-M660 WeakPolarHBondContact O-CG 3.24Å; L656-M660 PolarHBondContact O-N 3.04Å; C657-M660 PolarHBondContact O-N 3.01Å; M660-I663 PolarHBondContact O-N 3.48Å; M660-A664 WeakPolarHBondContact O-CB 3.39Å; M660-A664 PolarHBondContact O-N 3.22Å; M660-H720 HydrophobicContact SD-CB 3.71Å; M660-G728 VanDerWaalsContact CE-N 3.33Å; M660-V743 HydrophobicContact CB-CG1 4.41Å; M660-V743 HydrophobicContact CG-CG1 3.92Å; M660-V743 HydrophobicContact CG-CG2 4.04Å
661	Q	92.8	Very high	88.9	Confident	119 Å²	119	69.4 Å²	69.4	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-68	-40.4	-179	-170	176.7	14.8	0	0	112.1	C657 A658 A659 A664 N665	C657-Q661 VanDerWaalsContact O-CB 3.28Å; C657-Q661 WeakPolarHBondContact O-CB 3.43Å; C657-Q661 PolarHBondContact O-N 2.87Å; A658-Q661 PolarHBondContact O-N 3.33Å; A659-Q661 PolarHBondContact O-N 3.31Å; Q661-A664 PolarHBondContact O-N 3.12Å; Q661-N665 VanDerWaalsContact O-CB 3.24Å; Q661-N665 WeakPolarHBondContact O-CB 3.44Å; Q661-N665 PolarHBondContact O-N 2.78Å; Q661-N665 PolarHBondContact O-ND2 2.66Å
662	K	93.1	Very high	87.7	Confident	112 Å²	112	72.1 Å²	72.1	49%	0.487	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-49.4	174.6	-178.3	172.2	172.5	-172.7	0	111	V645 A658 A659 N666	V645-K662 HydrophobicContact CG2-CD 3.81Å; V645-K662 HydrophobicContact CG2-CG 4.49Å; A658-K662 VanDerWaalsContact O-CB 3.25Å; A658-K662 WeakPolarHBondContact O-CB 3.49Å; A658-K662 PolarHBondContact O-N 2.82Å; A659-K662 PolarHBondContact O-N 2.79Å; K662-N666 WeakPolarHBondContact O-CB 3.35Å; K662-N666 PolarHBondContact O-N 3.48Å; K662-N666 VanDerWaalsContact O-N 3.09Å; K662-N666 PolarHBondContact O-OD1 3.09Å
663	I	91.6	Very high	86.6	Confident	12 Å²	12	80.1 Å²	80.1	6%	0.062	40%	0.398	C	S	.	.	H	α-helix	trans	-65.4	-45.7	177.6	-74	172.5	0	0	0	111.8	L642 V645 A659 M660 N665 N666 R667 V743	L642-I663 HydrophobicContact CB-CG2 3.59Å; L642-I663 WeakPolarHBondContact O-CG2 3.48Å; V645-I663 HydrophobicContact CB-CD1 3.9Å; V645-I663 HydrophobicContact CB-CG1 4.09Å; V645-I663 HydrophobicContact CG1-CD1 3.65Å; V645-I663 HydrophobicContact CG1-CG1 4.02Å; A659-I663 PolarHBondContact O-N 2.91Å; M660-I663 PolarHBondContact O-N 3.48Å; I663-N665 PolarHBondContact O-N 3.02Å; I663-N666 PolarHBondContact O-N 3.27Å; I663-R667 PolarHBondContact O-N 3.39Å; I663-V743 HydrophobicContact CD1-CB 3.83Å; I663-V743 HydrophobicContact CD1-CG2 3.71Å
664	A	89.2	Confident	85.7	Confident	25 Å²	25	80.1 Å²	80.1	21%	0.207	40%	0.398	C	S	.	.	H	α-helix	trans	-63.9	-39.9	-179.9	0	0	0	0	0	112.4	M660 Q661 R668 Y726	M660-A664 WeakPolarHBondContact O-CB 3.39Å; M660-A664 PolarHBondContact O-N 3.22Å; Q661-A664 PolarHBondContact O-N 3.12Å; A664-R668 WeakPolarHBondContact O-CB 3.37Å; A664-R668 PolarHBondContact O-N 2.86Å; A664-Y726 HydrophobicContact CB-CE1 4.07Å
665	N	88.8	Confident	84.8	Confident	78 Å²	78	79 Å²	79	42%	0.417	40%	0.397	S	S	.	.	H	α-helix	trans	-63.5	-46.3	174.6	-78.2	-20.6	0	0	0	111.7	Q661 I663 R667 R668	Q661-N665 VanDerWaalsContact O-CB 3.24Å; Q661-N665 WeakPolarHBondContact O-CB 3.44Å; Q661-N665 PolarHBondContact O-N 2.78Å; Q661-N665 PolarHBondContact O-ND2 2.66Å; I663-N665 PolarHBondContact O-N 3.02Å; N665-R667 PolarHBondContact O-N 3.31Å; N665-R668 VanDerWaalsContact O-CB 3.29Å; N665-R668 WeakPolarHBondContact O-CB 3.32Å; N665-R668 PolarHBondContact O-N 2.74Å
666	N	86.7	Confident	84.1	Confident	108 Å²	108	79.6 Å²	79.6	58%	0.578	40%	0.401	S	S	*	.	H	α-helix	trans	-60.7	-45.3	178.1	-71.3	4.4	0	0	0	111.4	K662 I663 R668	K662-N666 WeakPolarHBondContact O-CB 3.35Å; K662-N666 PolarHBondContact O-N 3.48Å; K662-N666 VanDerWaalsContact O-N 3.09Å; K662-N666 PolarHBondContact O-OD1 3.09Å; I663-N666 PolarHBondContact O-N 3.27Å; N666-R668 VanDerWaalsContact C-N 3.33Å; N666-R668 PolarHBondContact O-N 3.49Å
667	R	81.2	Confident	83.4	Confident	61 Å²	61	82.1 Å²	82.1	23%	0.23	42%	0.419	C	S	.	.	H	α-helix	trans	-74.9	-15.7	178.4	-76.1	-156.1	177.1	-173.9	10.3	114.5	F641 L642 I663 N665 M669 T670 V671	F641-R667 PolarHBondContact O-NH1 2.9Å; L642-R667 PolarHBondContact O-NE 3.15Å; L642-R667 PolarHBondContact O-NH2 2.92Å; I663-R667 PolarHBondContact O-N 3.39Å; N665-R667 PolarHBondContact O-N 3.31Å; R667-M669 PolarHBondContact O-N 3.46Å; R667-T670 PolarHBondContact O-N 3.42Å; R667-T670 PolarHBondContact O-OG1 3.18Å; R667-V671 HydrophobicContact CB-CG2 4.02Å; R667-V671 WeakPolarHBondContact O-CB 3.49Å; R667-V671 WeakPolarHBondContact O-CG2 3.29Å; R667-V671 PolarHBondContact O-N 2.96Å
668	R	79.6	Confident	83	Confident	196 Å²	196	84.9 Å²	84.9	74%	0.74	43%	0.428	S	S	*	.	H	α-helix	trans	-55.7	-28.8	-179.9	-167.9	175.5	68	164.3	1.3	113.7	A664 N665 N666	A664-R668 WeakPolarHBondContact O-CB 3.37Å; A664-R668 PolarHBondContact O-N 2.86Å; N665-R668 VanDerWaalsContact O-CB 3.29Å; N665-R668 WeakPolarHBondContact O-CB 3.32Å; N665-R668 PolarHBondContact O-N 2.74Å; N666-R668 VanDerWaalsContact C-N 3.33Å; N666-R668 PolarHBondContact O-N 3.49Å
669	M	69	Low	82.7	Confident	148 Å²	148	82.3 Å²	82.3	73%	0.729	41%	0.407	S	S	*	.	H	α-helix	trans	-89.7	-31.8	177.8	-63	-176.5	-68.3	0	0	113	R667	R667-M669 PolarHBondContact O-N 3.46Å
670	T	76.3	Confident	82.5	Confident	67 Å²	67	83.4 Å²	83.4	41%	0.411	41%	0.413	S	S	.	.	H	α-helix	trans	-93.7	-22.1	-173.1	54.5	0	0	0	0	114.7	R667 K672 F673 N674	R667-T670 PolarHBondContact O-N 3.42Å; R667-T670 PolarHBondContact O-OG1 3.18Å; T670-K672 PolarHBondContact O-N 3.45Å; T670-F673 PolarHBondContact O-N 2.9Å; T670-N674 PolarHBondContact O-N 3.46Å
671	V	74.3	Confident	82.4	Confident	68 Å²	68	83.2 Å²	83.2	41%	0.412	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-26.3	-176.6	155.8	0	0	0	0	115.1	R667 P676	R667-V671 HydrophobicContact CB-CG2 4.02Å; R667-V671 WeakPolarHBondContact O-CB 3.49Å; R667-V671 WeakPolarHBondContact O-CG2 3.29Å; R667-V671 PolarHBondContact O-N 2.96Å; V671-P676 HydrophobicContact CG2-CG 4.19Å
672	K	66.9	Low	82.5	Confident	188 Å²	188	78.7 Å²	78.7	82%	0.817	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-22	176.7	-68.8	-172.1	176.9	-175.3	0	114.6	T670	T670-K672 PolarHBondContact O-N 3.45Å
673	F	70.7	Confident	82.6	Confident	185 Å²	185	73.4 Å²	73.4	81%	0.811	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-25	-173.9	-58.9	-75.2	0	0	0	112.5	T670	T670-F673 PolarHBondContact O-N 2.9Å
674	N	75.2	Confident	82.6	Confident	106 Å²	106	73.2 Å²	73.2	57%	0.567	37%	0.368	S	S	*	.	S	Bend	trans	-133.9	90.9	172.8	-174.2	-9.7	0	0	0	108.1	T670	T670-N674 PolarHBondContact O-N 3.46Å
675	P	75.9	Confident	82.6	Confident	88 Å²	88	73.5 Å²	73.5	57%	0.571	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-69	143.7	179.6	29.1	-34	0	0	0	110.6	S677	P675-S677 PolarHBondContact O-N 2.87Å
676	P	79.1	Confident	82.5	Confident	22 Å²	22	73.2 Å²	73.2	14%	0.143	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-58.9	120.6	176.9	-27.6	37.1	0	0	0	113.5	K640 L642 V671	K640-P676 HydrophobicContact CB-CB 4.07Å; L642-P676 HydrophobicContact CD2-CB 3.88Å; L642-P676 HydrophobicContact CD2-CG 3.62Å; V671-P676 HydrophobicContact CG2-CG 4.19Å
677	S	79.4	Confident	82.7	Confident	55 Å²	55	68.1 Å²	68.1	39%	0.385	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-52.4	139.9	176.3	-41.2	0	0	0	0	112	K640 F641 P675	K640-S677 WeakPolarHBondContact CA-O 3.12Å; F641-S677 PolarHBondContact N-O 3.06Å; P675-S677 PolarHBondContact O-N 2.87Å
678	F	87.6	Confident	83.3	Confident	81 Å²	81	65.2 Å²	65.2	36%	0.355	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	149.7	169.9	-75.1	-88.5	0	0	0	110.8	L639 K640 Q693 D695	L639-F678 WeakPolarHBondContact O-CA 3.31Å; K640-F678 HydrophobicContact CD-CE1 4.34Å; K640-F678 HydrophobicContact CG-CD1 4Å; K640-F678 HydrophobicContact CG-CE1 4.19Å; K640-F678 HydrophobicContact CG-CG 4.41Å; F678-Q693 PolarHBondContact O-N 2.73Å; F678-D695 WeakPolarHBondContact CD2-OD2 3.32Å
679	C	89.1	Confident	83.9	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.014	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.9	175.6	63.6	0	0	0	0	111.6	L639 L690 A691	L639-C679 PolarHBondContact N-O 3.12Å; L639-C679 PolarHBondContact O-N 2.9Å; C679-L690 HydrophobicContact CB-CD1 3.54Å; C679-A691 CarbonylContact C-O 3.58Å; C679-A691 WeakPolarHBondContact CA-O 3.22Å; C679-A691 WeakPolarHBondContact CB-O 3.25Å
680	V	91.5	Very high	84.9	Confident	27 Å²	27	51.4 Å²	51.4	16%	0.164	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.5	168.8	-176.1	0	0	0	0	108.2	R636 Y637 E682 A691	R636-V680 HydrophobicContact CB-CG1 4.45Å; Y637-V680 WeakPolarHBondContact O-CA 3.39Å; V680-E682 HydrophobicContact CG1-CG 4.16Å; V680-A691 PolarHBondContact N-O 3.28Å; V680-A691 PolarHBondContact O-N 2.71Å
681	L	93.3	Very high	85.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.4	160.6	-67.3	-174	0	0	0	108.7	R636 Y637 L639 I688 K689 L690 F727 F729 F744 L753	R636-L681 CarbonylContact C-O 3.55Å; R636-L681 WeakPolarHBondContact CA-O 3.47Å; Y637-L681 PolarHBondContact N-O 2.95Å; Y637-L681 PolarHBondContact O-N 2.85Å; L639-L681 HydrophobicContact CD1-CD1 3.51Å; L639-L681 HydrophobicContact CD1-CG 3.84Å; L681-I688 HydrophobicContact CD1-CG2 4.48Å; L681-I688 HydrophobicContact CD2-CG2 3.93Å; L681-K689 CarbonylContact C-O 3.47Å; L681-K689 WeakPolarHBondContact CA-O 3.29Å; L681-L690 HydrophobicContact CD2-CB 3.87Å; L681-L690 HydrophobicContact CD2-CD1 3.75Å; L681-L690 HydrophobicContact CD2-CG 4.39Å; L681-F727 HydrophobicContact CD1-CE1 4.45Å; L681-F729 HydrophobicContact CD1-CE1 4.45Å; L681-F744 HydrophobicContact CD1-CD2 4.46Å; L681-F744 HydrophobicContact CD1-CE1 4.41Å; L681-F744 HydrophobicContact CD1-CE2 4.35Å; L681-F744 HydrophobicContact CD1-CZ 4.32Å; L681-F744 HydrophobicContact CD2-CE1 4.06Å; L681-F744 HydrophobicContact CD2-CZ 4.02Å; L681-F744 HydrophobicContact CG-CE1 4.39Å; L681-L753 HydrophobicContact CD1-CD1 4.13Å; L681-L753 HydrophobicContact CD1-CD2 4.5Å
682	E	94.3	Very high	85.7	Confident	23 Å²	23	48.3 Å²	48.3	11%	0.107	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.5	166.1	-37.8	-171.2	94	0	0	107.9	M634 D635 R636 V680 I688 K689	M634-E682 HydrophobicContact CG-CB 4.32Å; M634-E682 HydrophobicContact SD-CB 4.09Å; D635-E682 WeakPolarHBondContact O-CA 3.26Å; R636-E682 HydrophobicContact CG-CB 4.4Å; R636-E682 HydrophobicContact CG-CG 4.26Å; R636-E682 IonicContact CZ-OE1 2.71Å; R636-E682 IonicContact NE-OE1 2.67Å; R636-E682 PolarHBondContact NE-OE1 2.86Å; R636-E682 IonicContact NH2-OE1 2.73Å; R636-E682 PolarHBondContact NH2-OE1 3.21Å; V680-E682 HydrophobicContact CG1-CG 4.16Å; E682-I688 WeakPolarHBondContact O-CA 3.45Å; E682-K689 HydrophobicContact CB-CB 4.21Å; E682-K689 PolarHBondContact N-O 3.47Å; E682-K689 PolarHBondContact O-N 3.24Å; E682-K689 WeakPolarHBondContact OE2-CD 3.29Å; E682-K689 WeakPolarHBondContact OE2-CE 3.43Å; E682-K689 IonicContact OE2-NZ 3.11Å; E682-K689 PolarHBondContact OE2-NZ 2.93Å
683	I	94.4	Very high	85.6	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.7	-174.1	-62.3	141.8	0	0	0	108.8	W633 M634 D635 Y637 I688 L753 I757 A760	W633-I683 HydrophobicContact CH2-CG2 4.28Å; M634-I683 VanDerWaalsContact CA-O 3.27Å; M634-I683 WeakPolarHBondContact CA-O 3.41Å; D635-I683 PolarHBondContact N-O 2.94Å; D635-I683 VanDerWaalsContact N-O 3.12Å; D635-I683 PolarHBondContact O-N 2.8Å; Y637-I683 HydrophobicContact CD2-CD1 3.53Å; Y637-I683 HydrophobicContact CE2-CD1 3.64Å; I683-I688 HydrophobicContact CG1-CG1 4.49Å; I683-I688 HydrophobicContact CG1-CG2 4.49Å; I683-L753 HydrophobicContact CD1-CD1 3.5Å; I683-L753 VanDerWaalsContact CD1-CD1 3.5Å; I683-I757 HydrophobicContact CD1-CD1 4.05Å; I683-I757 HydrophobicContact CD1-CG1 3.82Å; I683-I757 HydrophobicContact CG1-CD1 4.2Å; I683-I757 HydrophobicContact CG1-CG1 3.84Å; I683-I757 HydrophobicContact CG2-CG1 3.87Å; I683-A760 HydrophobicContact CG2-CB 3.88Å
684	S	91.5	Very high	85.2	Confident	9 Å²	9	43.9 Å²	43.9	6%	0.063	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	179.4	171.3	74.1	0	0	0	0	110.7	K686 G687	S684-K686 PolarHBondContact O-N 2.91Å; S684-K686 PolarHBondContact OG-N 2.85Å; S684-G687 PolarHBondContact N-O 2.77Å; S684-G687 PolarHBondContact O-N 2.92Å; S684-G687 VanDerWaalsContact O-N 3.14Å
685	V	89.2	Confident	83.9	Confident	30 Å²	30	44 Å²	44	18%	0.182	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.1	175.6	-59.9	0	0	0	0	113.4	L711 L763 Y764	V685-L711 WeakPolarHBondContact O-CD2 3.3Å; V685-L763 HydrophobicContact CG1-CB 3.63Å; V685-L763 HydrophobicContact CG1-CD1 3.89Å; V685-L763 HydrophobicContact CG1-CG 4.41Å; V685-Y764 WeakPolarHBondContact O-CD2 3.31Å
686	K	88	Confident	82.7	Confident	72 Å²	72	49.7 Å²	49.7	31%	0.313	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-32	177.4	-67.3	170.8	173.8	157.2	0	112.3	D622 E632 S684 F708 L711	D622-K686 PolarHBondContact O-NZ 2.95Å; D622-K686 VanDerWaalsContact OD1-CE 3.26Å; D622-K686 WeakPolarHBondContact OD1-CE 3.11Å; D622-K686 IonicContact OD1-NZ 2.74Å; E632-K686 WeakPolarHBondContact OE1-CE 3.13Å; E632-K686 IonicContact OE1-NZ 3.18Å; E632-K686 PolarHBondContact OE1-NZ 2.87Å; S684-K686 PolarHBondContact O-N 2.91Å; S684-K686 PolarHBondContact OG-N 2.85Å; K686-F708 HydrophobicContact CB-CZ 4.02Å; K686-L711 PolarHBondContact O-N 3.39Å; K686-L711 VanDerWaalsContact O-N 3.11Å
687	G	90.3	Very high	81.1	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.3	-169.4	-175.2	0	0	0	0	0	115.6	S684 F709	S684-G687 PolarHBondContact N-O 2.77Å; S684-G687 PolarHBondContact O-N 2.92Å; S684-G687 VanDerWaalsContact O-N 3.14Å; G687-F709 CarbonylContact C-O 3.6Å; G687-F709 VanDerWaalsContact CA-O 3.24Å; G687-F709 WeakPolarHBondContact CA-O 3.05Å
688	I	93.6	Very high	79.5	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.6	177.1	-55.3	173.4	0	0	0	108.2	L681 E682 I683 F709 V714 F729 I757	L681-I688 HydrophobicContact CD1-CG2 4.48Å; L681-I688 HydrophobicContact CD2-CG2 3.93Å; E682-I688 WeakPolarHBondContact O-CA 3.45Å; I683-I688 HydrophobicContact CG1-CG1 4.49Å; I683-I688 HydrophobicContact CG1-CG2 4.49Å; I688-F709 HydrophobicContact CB-CB 4.45Å; I688-F709 PolarHBondContact N-O 3.3Å; I688-F709 WeakPolarHBondContact O-CD2 3.13Å; I688-F709 PolarHBondContact O-N 3.42Å; I688-V714 HydrophobicContact CD1-CG1 4.31Å; I688-V714 HydrophobicContact CD1-CG2 4.19Å; I688-F729 HydrophobicContact CD1-CD1 4.22Å; I688-F729 HydrophobicContact CD1-CD2 4.3Å; I688-F729 HydrophobicContact CD1-CE1 4.32Å; I688-F729 HydrophobicContact CD1-CE2 4.42Å; I688-F729 HydrophobicContact CD1-CG 4.2Å; I688-F729 HydrophobicContact CD1-CZ 4.42Å; I688-F729 HydrophobicContact CG2-CE1 4.24Å; I688-F729 HydrophobicContact CG2-CZ 4.22Å; I688-I757 HydrophobicContact CD1-CD1 3.71Å; I688-I757 HydrophobicContact CD1-CG1 4.06Å; I688-I757 HydrophobicContact CD1-CG2 4.16Å; I688-I757 HydrophobicContact CG1-CD1 4.42Å; I688-I757 HydrophobicContact CG1-CG1 4.44Å
689	K	92.1	Very high	77.2	Confident	54 Å²	54	63 Å²	63	24%	0.235	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.9	172.1	-172.6	174.6	154	-142.2	0	110.1	L681 E682 H707 F708	L681-K689 CarbonylContact C-O 3.47Å; L681-K689 WeakPolarHBondContact CA-O 3.29Å; E682-K689 HydrophobicContact CB-CB 4.21Å; E682-K689 PolarHBondContact N-O 3.47Å; E682-K689 PolarHBondContact O-N 3.24Å; E682-K689 WeakPolarHBondContact OE2-CD 3.29Å; E682-K689 WeakPolarHBondContact OE2-CE 3.43Å; E682-K689 IonicContact OE2-NZ 3.11Å; E682-K689 PolarHBondContact OE2-NZ 2.93Å; K689-H707 WeakPolarHBondContact CA-O 3.15Å; K689-F708 HydrophobicContact CB-CD2 3.88Å; K689-F708 HydrophobicContact CB-CE2 4.46Å; K689-F708 HydrophobicContact CG-CD2 4.45Å
690	L	90.6	Very high	74.6	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.6	172	170	59.7	0	0	0	109	F641 C679 L681 S706 H707 F709 F744	F641-L690 HydrophobicContact CE2-CD2 4.45Å; C679-L690 HydrophobicContact CB-CD1 3.54Å; L681-L690 HydrophobicContact CD2-CB 3.87Å; L681-L690 HydrophobicContact CD2-CD1 3.75Å; L681-L690 HydrophobicContact CD2-CG 4.39Å; L690-S706 CarbonylContact O-C 3.6Å; L690-S706 WeakPolarHBondContact O-CA 3.49Å; L690-H707 HydrophobicContact CB-CB 4.46Å; L690-H707 PolarHBondContact N-O 2.98Å; L690-H707 PolarHBondContact O-N 3.02Å; L690-F709 HydrophobicContact CB-CE2 4.04Å; L690-F709 HydrophobicContact CD2-CE2 4.32Å; L690-F744 HydrophobicContact CD1-CE1 3.82Å; L690-F744 HydrophobicContact CD1-CZ 4.32Å; L690-F744 HydrophobicContact CD2-CE1 4.38Å; L690-F744 HydrophobicContact CD2-CZ 4.26Å
691	A	85.9	Confident	72.5	Confident	25 Å²	25	80.1 Å²	80.1	21%	0.207	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.8	167.4	0	0	0	0	0	109.3	C679 V680	C679-A691 CarbonylContact C-O 3.58Å; C679-A691 WeakPolarHBondContact CA-O 3.22Å; C679-A691 WeakPolarHBondContact CB-O 3.25Å; V680-A691 PolarHBondContact N-O 3.28Å; V680-A691 PolarHBondContact O-N 2.71Å
692	V	80.4	Confident	70	Confident	46 Å²	46	82.6 Å²	82.6	28%	0.279	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.3	173.2	-177	0	0	0	0	108.6	C705	V692-C705 PolarHBondContact N-O 2.83Å
693	Q	64.6	Low	67.7	Low	106 Å²	106	86.7 Å²	86.7	50%	0.495	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115	175.8	-173.6	168.2	7.2	0	0	108.6	F678	F678-Q693 PolarHBondContact O-N 2.73Å
694	E	62.1	Low	65.8	Low	174 Å²	174	93 Å²	93	81%	0.813	46%	0.463	S	S	*	.			trans	-93.8	130.1	-177.7	-162.6	162.7	-113.7	0	0	110.8	Y696	E694-Y696 PolarHBondContact O-N 3.35Å
695	D	49.3	Very low	64.3	Low	108 Å²	108	95.5 Å²	95.5	58%	0.578	48%	0.479	S	S	*	.			trans	-81.4	82.6	-166.5	-76.3	-44.6	0	0	0	113.2	F678 Y697	F678-D695 WeakPolarHBondContact CD2-OD2 3.32Å; D695-Y697 PolarHBondContact O-N 2.96Å
696	Y	49.6	Very low	63.9	Low	207 Å²	207	94.8 Å²	94.8	81%	0.812	48%	0.476	S	S	*	.	S	Bend	trans	54.7	56	135.9	-154.5	-95.7	0	0	0	118	E694	E694-Y696 PolarHBondContact O-N 3.35Å
697	Y	46.1	Very low	63.7	Low	224 Å²	224	92.4 Å²	92.4	88%	0.878	47%	0.465	S	S	*	.			trans	-149.8	-18.1	151.2	-85.9	-59.3	0	0	0	115	D695	D695-Y697 PolarHBondContact O-N 2.96Å
698	A	45.2	Very low	63.6	Low	92 Å²	92	95.9 Å²	95.9	76%	0.76	48%	0.48	S	S	*	.			trans	-74.9	127.6	171.3	0	0	0	0	0	110.8
699	C	40.8	Very low	63.5	Low	123 Å²	123	96.7 Å²	96.7	83%	0.831	48%	0.484	S	S	*	.			trans	-95.7	97.5	175.4	176.4	0	0	0	0	110.3
700	D	34.3	Very low	63.4	Low	139 Å²	139	98.2 Å²	98.2	74%	0.743	49%	0.492	S	S	*	.			trans	-159.4	138.8	147.5	-108.7	-31.9	0	0	0	111.9	S702	D700-S702 PolarHBondContact O-N 2.67Å
701	R	47	Very low	63.4	Low	248 Å²	248	98.4 Å²	98.4	94%	0.936	49%	0.493	S	S	*	.	S	Bend	trans	-97	54.7	-170	-70.9	-179.5	62.3	-165.5	-3.1	113.3
702	S	41.7	Very low	63.5	Low	53 Å²	53	103.7 Å²	103.7	37%	0.371	51%	0.511	S	S	.	.			trans	-146.5	-28.5	-176.7	53.1	0	0	0	0	116.6	D700 E704	D700-S702 PolarHBondContact O-N 2.67Å; S702-E704 PolarHBondContact O-N 2.74Å; S702-E704 VanDerWaalsContact O-N 3.16Å
703	N	44.5	Very low	64	Low	108 Å²	108	103.5 Å²	103.5	58%	0.578	51%	0.509	S	S	*	.			trans	-92.6	58	-170	-70.6	-17.9	0	0	0	114.4	Q280 C705	Q280-N703 PolarHBondContact NE2-OD1 2.85Å; N703-C705 PolarHBondContact O-N 3.44Å
704	E	54.2	Low	65.3	Low	135 Å²	135	98.8 Å²	98.8	63%	0.631	49%	0.487	S	S	*	.			trans	-69.5	78.1	162.9	-74.2	-169.5	163.4	0	0	110.1	R281 S702 S706	R281-E704 IonicContact NH1-OE2 3.97Å; S702-E704 PolarHBondContact O-N 2.74Å; S702-E704 VanDerWaalsContact O-N 3.16Å; E704-S706 PolarHBondContact O-N 3.48Å
705	C	60.1	Low	66.7	Low	61 Å²	61	92.3 Å²	92.3	41%	0.412	46%	0.461	S	S	.	.			trans	-62.6	100.1	178.2	-67.5	0	0	0	0	110	V692 N703	V692-C705 PolarHBondContact N-O 2.83Å; N703-C705 PolarHBondContact O-N 3.44Å
706	S	80.8	Confident	68.9	Low	15 Å²	15	89.7 Å²	89.7	11%	0.105	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143	179.4	73.4	0	0	0	0	112.2	V279 L690 E704	V279-S706 PolarHBondContact N-O 3.04Å; L690-S706 CarbonylContact O-C 3.6Å; L690-S706 WeakPolarHBondContact O-CA 3.49Å; E704-S706 PolarHBondContact O-N 3.48Å
707	H	83.8	Confident	71.1	Confident	21 Å²	21	81 Å²	81	10%	0.097	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135	-178.5	-59.1	-59.9	0	0	0	109	L276 T277 K689 L690 F709	L276-H707 PolarHBondContact O-CE1 2.81Å; L276-H707 VanDerWaalsContact O-CE1 3.3Å; L276-H707 PolarHBondContact O-ND1 3.5Å; T277-H707 VanDerWaalsContact C-ND1 3.29Å; T277-H707 PolarHBondContact O-ND1 2.92Å; K689-H707 WeakPolarHBondContact CA-O 3.15Å; L690-H707 HydrophobicContact CB-CB 4.46Å; L690-H707 PolarHBondContact N-O 2.98Å; L690-H707 PolarHBondContact O-N 3.02Å; H707-F709 HydrophobicContact CB-CE2 4.25Å; H707-F709 HydrophobicContact CB-CZ 4.25Å
708	F	89.9	Confident	73.4	Confident	75 Å²	75	70.7 Å²	70.7	33%	0.329	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120	-178.5	-174.1	-114.3	0	0	0	111.8	K686 K689 Q710	K686-F708 HydrophobicContact CB-CZ 4.02Å; K689-F708 HydrophobicContact CB-CD2 3.88Å; K689-F708 HydrophobicContact CB-CE2 4.46Å; K689-F708 HydrophobicContact CG-CD2 4.45Å; F708-Q710 HydrophobicContact CD1-CG 4.1Å; F708-Q710 HydrophobicContact CE1-CG 3.81Å
709	F	90.6	Very high	75.7	Confident	16 Å²	16	69.4 Å²	69.4	7%	0.07	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	98.9	176.9	-54.1	-77.1	0	0	0	108.7	L276 G687 I688 L690 H707 L711 V714 F729 T731 H742	L276-F709 HydrophobicContact CD2-CE1 4.5Å; L276-F709 HydrophobicContact CD2-CZ 4.04Å; G687-F709 CarbonylContact C-O 3.6Å; G687-F709 VanDerWaalsContact CA-O 3.24Å; G687-F709 WeakPolarHBondContact CA-O 3.05Å; I688-F709 HydrophobicContact CB-CB 4.45Å; I688-F709 PolarHBondContact N-O 3.3Å; I688-F709 WeakPolarHBondContact O-CD2 3.13Å; I688-F709 PolarHBondContact O-N 3.42Å; L690-F709 HydrophobicContact CB-CE2 4.04Å; L690-F709 HydrophobicContact CD2-CE2 4.32Å; H707-F709 HydrophobicContact CB-CE2 4.25Å; H707-F709 HydrophobicContact CB-CZ 4.25Å; F709-L711 PolarHBondContact O-N 3.34Å; F709-V714 HydrophobicContact CB-CG2 4.17Å; F709-F729 HydrophobicContact CB-CE2 4.32Å; F709-F729 HydrophobicContact CD1-CE2 4.38Å; F709-F729 AromaticContact CD2-CE2 3.82Å; F709-F729 HydrophobicContact CD2-CE2 3.82Å; F709-F729 AromaticContact CD2-CZ 3.64Å; F709-F729 HydrophobicContact CD2-CZ 3.64Å; F709-F729 HydrophobicContact CE2-CE2 4.2Å; F709-F729 AromaticContact CE2-CZ 3.81Å; F709-F729 HydrophobicContact CE2-CZ 3.81Å; F709-F729 AromaticContact CG-CE2 3.91Å; F709-F729 HydrophobicContact CG-CE2 3.91Å; F709-F729 HydrophobicContact CG-CZ 4.22Å; F709-T731 HydrophobicContact CB-CG2 4.4Å; F709-T731 HydrophobicContact CD1-CG2 3.73Å; F709-T731 HydrophobicContact CE1-CG2 4.32Å; F709-T731 HydrophobicContact CG-CG2 4.24Å; F709-H742 AromaticContact CE1-CE1 3.62Å; F709-H742 AromaticContact CE1-NE2 3.61Å; F709-H742 AromaticContact CZ-CE1 3.78Å
710	Q	89.5	Confident	78.2	Confident	87 Å²	87	65.6 Å²	65.6	41%	0.407	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	134.6	173.6	-70	177.7	-10.6	0	0	110.2	F708 K712 N713	F708-Q710 HydrophobicContact CD1-CG 4.1Å; F708-Q710 HydrophobicContact CE1-CG 3.81Å; Q710-K712 VanDerWaalsContact C-N 3.29Å; Q710-K712 HydrophobicContact CB-CG 4.21Å; Q710-K712 PolarHBondContact O-N 2.87Å; Q710-N713 WeakPolarHBondContact O-CB 3.44Å; Q710-N713 PolarHBondContact O-N 2.88Å
711	L	90.3	Very high	80.9	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.016	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-61.5	-36.3	-167.6	-164.3	51.5	0	0	0	113.3	V685 K686 F709 N713 V714 A760 F761 Y764	V685-L711 WeakPolarHBondContact O-CD2 3.3Å; K686-L711 PolarHBondContact O-N 3.39Å; K686-L711 VanDerWaalsContact O-N 3.11Å; F709-L711 PolarHBondContact O-N 3.34Å; L711-N713 PolarHBondContact O-N 3.46Å; L711-N713 VanDerWaalsContact O-N 3.13Å; L711-V714 HydrophobicContact CD1-CB 4.39Å; L711-V714 HydrophobicContact CD1-CG2 4.41Å; L711-V714 PolarHBondContact O-N 3.46Å; L711-A760 HydrophobicContact CD2-CB 3.94Å; L711-A760 WeakPolarHBondContact CD2-O 3.49Å; L711-F761 HydrophobicContact CD1-CD1 3.77Å; L711-F761 HydrophobicContact CD1-CE1 3.53Å; L711-F761 HydrophobicContact CD1-CG 4.46Å; L711-F761 HydrophobicContact CD1-CZ 4.05Å; L711-F761 HydrophobicContact CD2-CD1 4.38Å; L711-F761 HydrophobicContact CG-CD1 3.9Å; L711-F761 HydrophobicContact CG-CE1 3.96Å; L711-Y764 HydrophobicContact CB-CD2 4.46Å; L711-Y764 HydrophobicContact CB-CG 4.48Å; L711-Y764 HydrophobicContact CD2-CD2 4.39Å; L711-Y764 HydrophobicContact CD2-CG 3.98Å; L711-Y764 HydrophobicContact CG-CG 4.38Å
712	K	87.9	Confident	82.9	Confident	136 Å²	136	61 Å²	61	59%	0.591	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-56.7	-22	171.8	60.9	171.9	-176.6	-179.3	0	115.4	Q710 Y764	Q710-K712 VanDerWaalsContact C-N 3.29Å; Q710-K712 HydrophobicContact CB-CG 4.21Å; Q710-K712 PolarHBondContact O-N 2.87Å; K712-Y764 HydrophobicContact CB-CE1 4.32Å
713	N	90.8	Very high	85.3	Confident	43 Å²	43	61.6 Å²	61.6	23%	0.23	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-94.4	-9.3	177.4	-62.3	-9.8	0	0	0	112	Q710 L711 T731 K732	Q710-N713 WeakPolarHBondContact O-CB 3.44Å; Q710-N713 PolarHBondContact O-N 2.88Å; L711-N713 PolarHBondContact O-N 3.46Å; L711-N713 VanDerWaalsContact O-N 3.13Å; N713-T731 CarbonylContact O-C 3.51Å; N713-T731 VanDerWaalsContact O-CA 3.27Å; N713-T731 WeakPolarHBondContact O-CA 3.23Å; N713-K732 PolarHBondContact O-N 3.5Å
714	V	92.6	Very high	87.6	Confident	6 Å²	6	58 Å²	58	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.9	174.3	-167.9	0	0	0	0	108.3	I688 F709 L711 F729 T731 F761	I688-V714 HydrophobicContact CD1-CG1 4.31Å; I688-V714 HydrophobicContact CD1-CG2 4.19Å; F709-V714 HydrophobicContact CB-CG2 4.17Å; L711-V714 HydrophobicContact CD1-CB 4.39Å; L711-V714 HydrophobicContact CD1-CG2 4.41Å; L711-V714 PolarHBondContact O-N 3.46Å; V714-F729 HydrophobicContact CG1-CB 4.02Å; V714-F729 HydrophobicContact CG1-CD2 3.93Å; V714-F729 HydrophobicContact CG1-CG 4.33Å; V714-T731 HydrophobicContact CG2-CG2 4.46Å; V714-F761 HydrophobicContact CB-CE1 4.22Å; V714-F761 HydrophobicContact CB-CZ 3.9Å; V714-F761 HydrophobicContact CG1-CZ 3.79Å; V714-F761 VanDerWaalsContact O-CE1 3.3Å; V714-F761 WeakPolarHBondContact O-CE1 3.3Å; V714-F761 WeakPolarHBondContact O-CZ 3.48Å
715	S	92.5	Very high	89.5	Confident	39 Å²	39	56.2 Å²	56.2	27%	0.273	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-21.2	-167.7	55.7	0	0	0	0	114.6	H650 I730	H650-S715 CarbonylContact O-C 3.56Å; H650-S715 WeakPolarHBondContact O-CB 3.49Å; H650-S715 PolarHBondContact O-OG 3.4Å; S715-I730 PolarHBondContact N-O 3.09Å; S715-I730 PolarHBondContact OG-O 2.85Å
716	F	94.9	Very high	91.1	Very high	52 Å²	52	56.2 Å²	56.2	23%	0.228	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	154	176	-170.5	-114.2	0	0	0	110.7	H650 K651 G652 L656 F729 I730	H650-F716 VanDerWaalsContact O-CB 3.29Å; H650-F716 WeakPolarHBondContact O-CB 3.46Å; K651-F716 HydrophobicContact CB-CB 4.14Å; K651-F716 HydrophobicContact CB-CD2 4.05Å; K651-F716 HydrophobicContact CB-CG 4.13Å; G652-F716 WeakPolarHBondContact O-CE1 3.34Å; L656-F716 HydrophobicContact CB-CE1 4.31Å; L656-F716 HydrophobicContact CD2-CE1 4.1Å; F716-F729 CarbonylContact O-C 3.59Å; F716-F729 VanDerWaalsContact O-CA 3.26Å; F716-F729 WeakPolarHBondContact O-CA 3.48Å; F716-F729 WeakPolarHBondContact O-CB 3.27Å; F716-I730 HydrophobicContact CB-CB 4.34Å; F716-I730 HydrophobicContact CB-CD1 4.24Å; F716-I730 HydrophobicContact CB-CG1 4.41Å; F716-I730 HydrophobicContact CD1-CD1 4.14Å; F716-I730 PolarHBondContact O-N 2.97Å
717	C	95.5	Very high	91.9	Very high	24 Å²	24	55.5 Å²	55.5	16%	0.162	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	155.3	172.7	68.4	0	0	0	0	112.2	F727 G728 F729 I757	C717-F727 HydrophobicContact CB-CE2 4.34Å; C717-F727 HydrophobicContact CB-CZ 4.03Å; C717-G728 WeakPolarHBondContact CA-O 3.39Å; C717-F729 HydrophobicContact CB-CB 3.86Å; C717-I757 HydrophobicContact CB-CG2 4.08Å; C717-I757 VanDerWaalsContact SG-CG2 3.53Å
718	G	94.4	Very high	92.4	Very high	8 Å²	8	54.5 Å²	54.5	8%	0.082	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179	-178.3	174.7	0	0	0	0	0	114.6	F727 G728	G718-F727 WeakPolarHBondContact O-CD2 3.28Å; G718-F727 WeakPolarHBondContact O-CE2 3.47Å; G718-G728 PolarHBondContact N-O 3.42Å; G718-G728 PolarHBondContact O-N 2.84Å
719	Y	94.1	Very high	92.8	Very high	65 Å²	65	51 Å²	51	26%	0.255	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	153	176.5	61	-90.6	0	0	0	110.9	Y726 T750 K751 A754	Y719-Y726 CarbonylContact C-O 3.58Å; Y719-Y726 WeakPolarHBondContact CA-O 3.4Å; Y719-Y726 WeakPolarHBondContact CB-O 3.37Å; Y719-T750 WeakPolarHBondContact CB-OG1 3.19Å; Y719-K751 HydrophobicContact CD1-CG 4.12Å; Y719-K751 HydrophobicContact CD2-CG 4.35Å; Y719-K751 HydrophobicContact CE1-CB 4.37Å; Y719-K751 HydrophobicContact CE1-CD 4.27Å; Y719-K751 HydrophobicContact CE1-CG 3.76Å; Y719-K751 HydrophobicContact CE2-CD 4.28Å; Y719-K751 HydrophobicContact CE2-CG 3.99Å; Y719-K751 HydrophobicContact CG-CG 4.41Å; Y719-K751 VanDerWaalsContact OH-CE 3.23Å; Y719-K751 WeakPolarHBondContact OH-CE 3.4Å; Y719-K751 PolarHBondContact OH-NZ 2.95Å; Y719-A754 HydrophobicContact CD1-CB 3.9Å; Y719-A754 HydrophobicContact CE1-CB 4.49Å
720	H	92.9	Very high	93	Very high	44 Å²	44	50.2 Å²	50.2	20%	0.204	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.5	-178.3	-171.4	-94.3	0	0	0	110.9	C657 M660 K722 N723 S724 Y726	C657-H720 VanDerWaalsContact SG-CD2 3.5Å; M660-H720 HydrophobicContact SD-CB 3.71Å; H720-K722 VanDerWaalsContact C-N 3.34Å; H720-K722 PolarHBondContact ND1-N 2.95Å; H720-K722 PolarHBondContact O-N 2.93Å; H720-N723 PolarHBondContact ND1-N 3.33Å; H720-N723 CarbonylContact O-C 3.6Å; H720-N723 PolarHBondContact O-N 3.02Å; H720-S724 PolarHBondContact O-N 3.37Å; H720-Y726 PolarHBondContact N-O 3.47Å
721	P	89.9	Confident	93.2	Very high	94 Å²	94	46.7 Å²	46.7	61%	0.61	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-37.3	-168.9	23.1	-32.9	0	0	0	112.6	C657 N723	C657-P721 WeakPolarHBondContact SG-CD 3.35Å; P721-N723 VanDerWaalsContact C-N 3.33Å
722	K	90.1	Very high	93.3	Very high	195 Å²	195	50.4 Å²	50.4	85%	0.848	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-6	176.9	-54.9	179.4	-179	176.1	0	113.7	H720	H720-K722 VanDerWaalsContact C-N 3.34Å; H720-K722 PolarHBondContact ND1-N 2.95Å; H720-K722 PolarHBondContact O-N 2.93Å
723	N	91.6	Very high	93.1	Very high	66 Å²	66	46 Å²	46	35%	0.353	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	82.5	-178.5	-170.1	-11.6	0	0	0	111.6	H720 P721 K725 Y726	H720-N723 PolarHBondContact ND1-N 3.33Å; H720-N723 CarbonylContact O-C 3.6Å; H720-N723 PolarHBondContact O-N 3.02Å; P721-N723 VanDerWaalsContact C-N 3.33Å; N723-K725 PolarHBondContact O-N 3.26Å; N723-K725 WeakPolarHBondContact OD1-CB 3.2Å; N723-K725 PolarHBondContact OD1-N 3.24Å; N723-Y726 HydrophobicContact CB-CD2 4.26Å; N723-Y726 WeakPolarHBondContact ND2-CE2 3.24Å; N723-Y726 PolarHBondContact O-N 3.32Å; N723-Y726 VanDerWaalsContact O-N 3.09Å
724	S	92.7	Very high	92.5	Very high	34 Å²	34	49 Å²	49	24%	0.238	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	5.4	-175.5	65.4	0	0	0	0	115.3	H720 Y726 S749 T750	H720-S724 PolarHBondContact O-N 3.37Å; S724-Y726 VanDerWaalsContact C-N 3.32Å; S724-S749 WeakPolarHBondContact CB-OG 3.35Å; S724-S749 PolarHBondContact OG-OG 3.48Å; S724-T750 WeakPolarHBondContact O-CB 3.3Å; S724-T750 PolarHBondContact O-N 3.42Å; S724-T750 PolarHBondContact O-OG1 3.42Å
725	K	93.8	Very high	91.7	Very high	96 Å²	96	52.9 Å²	52.9	42%	0.417	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-23.3	167	-59.9	-158.1	-177.9	-153.2	0	113.2	N723 V745 S746 E747 T750	N723-K725 PolarHBondContact O-N 3.26Å; N723-K725 WeakPolarHBondContact OD1-CB 3.2Å; N723-K725 PolarHBondContact OD1-N 3.24Å; K725-V745 HydrophobicContact CB-CG2 4.25Å; K725-V745 CarbonylContact O-C 3.06Å; K725-V745 WeakPolarHBondContact O-CA 3.48Å; K725-S746 WeakPolarHBondContact CB-O 3.44Å; K725-S746 PolarHBondContact O-N 3.08Å; K725-E747 WeakPolarHBondContact CE-O 3.31Å; K725-E747 PolarHBondContact NZ-O 3.22Å; K725-T750 WeakPolarHBondContact O-CG2 3.37Å
726	Y	94.6	Very high	91	Very high	62 Å²	62	53.6 Å²	53.6	24%	0.243	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.1	177.4	-73.6	-98.5	0	0	0	110.6	L642 A664 Y719 H720 N723 S724 F744 V745 T750	L642-Y726 HydrophobicContact CD1-CD1 3.86Å; L642-Y726 HydrophobicContact CD1-CE1 3.45Å; L642-Y726 VanDerWaalsContact CD1-CE1 3.45Å; A664-Y726 HydrophobicContact CB-CE1 4.07Å; Y719-Y726 CarbonylContact C-O 3.58Å; Y719-Y726 WeakPolarHBondContact CA-O 3.4Å; Y719-Y726 WeakPolarHBondContact CB-O 3.37Å; H720-Y726 PolarHBondContact N-O 3.47Å; N723-Y726 HydrophobicContact CB-CD2 4.26Å; N723-Y726 WeakPolarHBondContact ND2-CE2 3.24Å; N723-Y726 PolarHBondContact O-N 3.32Å; N723-Y726 VanDerWaalsContact O-N 3.09Å; S724-Y726 VanDerWaalsContact C-N 3.32Å; Y726-F744 WeakPolarHBondContact CA-O 3.41Å; Y726-V745 HydrophobicContact CD2-CG2 4.47Å; Y726-V745 HydrophobicContact CE2-CG2 4.36Å; Y726-T750 PolarHBondContact O-OG1 2.96Å
727	F	96.6	Very high	90.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.8	175.2	179.1	-103.4	0	0	0	110.6	L681 C717 G718 F729 F744 T750 L753 A754 I757	L681-F727 HydrophobicContact CD1-CE1 4.45Å; C717-F727 HydrophobicContact CB-CE2 4.34Å; C717-F727 HydrophobicContact CB-CZ 4.03Å; G718-F727 WeakPolarHBondContact O-CD2 3.28Å; G718-F727 WeakPolarHBondContact O-CE2 3.47Å; F727-F729 AromaticContact CE1-CD1 3.93Å; F727-F729 HydrophobicContact CE1-CD1 3.93Å; F727-F744 HydrophobicContact CD1-CD2 4.14Å; F727-F744 PolarHBondContact N-O 2.87Å; F727-F744 PolarHBondContact O-N 2.95Å; F727-T750 HydrophobicContact CB-CG2 3.91Å; F727-L753 HydrophobicContact CB-CD2 3.89Å; F727-L753 HydrophobicContact CD1-CD1 4.47Å; F727-L753 HydrophobicContact CD1-CD2 3.38Å; F727-L753 HydrophobicContact CD1-CG 3.85Å; F727-L753 HydrophobicContact CD2-CD2 4.04Å; F727-L753 HydrophobicContact CD2-CG 4.02Å; F727-L753 HydrophobicContact CE1-CD1 4.17Å; F727-L753 HydrophobicContact CE1-CD2 3.91Å; F727-L753 HydrophobicContact CE1-CG 3.88Å; F727-L753 HydrophobicContact CE2-CG 4.09Å; F727-L753 HydrophobicContact CG-CD2 3.46Å; F727-L753 VanDerWaalsContact CG-CD2 3.46Å; F727-L753 HydrophobicContact CG-CG 3.93Å; F727-L753 HydrophobicContact CZ-CD1 4.44Å; F727-L753 HydrophobicContact CZ-CD2 4.48Å; F727-L753 HydrophobicContact CZ-CG 4.04Å; F727-A754 HydrophobicContact CD2-CB 4.32Å; F727-A754 HydrophobicContact CE2-CB 3.88Å; F727-I757 HydrophobicContact CE1-CD1 3.77Å; F727-I757 HydrophobicContact CE2-CD1 4.47Å; F727-I757 HydrophobicContact CZ-CD1 3.43Å; F727-I757 VanDerWaalsContact CZ-CD1 3.43Å
728	G	95.9	Very high	90.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	162.3	168.4	0	0	0	0	0	113.4	M660 C717 G718 H742	M660-G728 VanDerWaalsContact CE-N 3.33Å; C717-G728 WeakPolarHBondContact CA-O 3.39Å; G718-G728 PolarHBondContact N-O 3.42Å; G718-G728 PolarHBondContact O-N 2.84Å; G728-H742 WeakPolarHBondContact CA-O 3.29Å
729	F	96.6	Very high	90.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.9	174.1	62.5	-90.6	0	0	0	110.8	L681 I688 F709 V714 F716 C717 F727 T731 C741 H742 F744	L681-F729 HydrophobicContact CD1-CE1 4.45Å; I688-F729 HydrophobicContact CD1-CD1 4.22Å; I688-F729 HydrophobicContact CD1-CD2 4.3Å; I688-F729 HydrophobicContact CD1-CE1 4.32Å; I688-F729 HydrophobicContact CD1-CE2 4.42Å; I688-F729 HydrophobicContact CD1-CG 4.2Å; I688-F729 HydrophobicContact CD1-CZ 4.42Å; I688-F729 HydrophobicContact CG2-CE1 4.24Å; I688-F729 HydrophobicContact CG2-CZ 4.22Å; F709-F729 HydrophobicContact CB-CE2 4.32Å; F709-F729 HydrophobicContact CD1-CE2 4.38Å; F709-F729 AromaticContact CD2-CE2 3.82Å; F709-F729 HydrophobicContact CD2-CE2 3.82Å; F709-F729 AromaticContact CD2-CZ 3.64Å; F709-F729 HydrophobicContact CD2-CZ 3.64Å; F709-F729 HydrophobicContact CE2-CE2 4.2Å; F709-F729 AromaticContact CE2-CZ 3.81Å; F709-F729 HydrophobicContact CE2-CZ 3.81Å; F709-F729 AromaticContact CG-CE2 3.91Å; F709-F729 HydrophobicContact CG-CE2 3.91Å; F709-F729 HydrophobicContact CG-CZ 4.22Å; V714-F729 HydrophobicContact CG1-CB 4.02Å; V714-F729 HydrophobicContact CG1-CD2 3.93Å; V714-F729 HydrophobicContact CG1-CG 4.33Å; F716-F729 CarbonylContact O-C 3.59Å; F716-F729 VanDerWaalsContact O-CA 3.26Å; F716-F729 WeakPolarHBondContact O-CA 3.48Å; F716-F729 WeakPolarHBondContact O-CB 3.27Å; C717-F729 HydrophobicContact CB-CB 3.86Å; F727-F729 AromaticContact CE1-CD1 3.93Å; F727-F729 HydrophobicContact CE1-CD1 3.93Å; F729-T731 HydrophobicContact CD2-CG2 3.85Å; F729-T731 HydrophobicContact CE2-CG2 3.72Å; F729-C741 WeakPolarHBondContact O-CA 3.38Å; F729-H742 AromaticContact CD2-CD2 3.75Å; F729-H742 HydrophobicContact CE1-CB 4.17Å; F729-H742 HydrophobicContact CE2-CB 4.22Å; F729-H742 AromaticContact CE2-CD2 3.37Å; F729-H742 WeakPolarHBondContact CE2-CD2 3.46Å; F729-H742 AromaticContact CE2-CG 3.99Å; F729-H742 HydrophobicContact CZ-CB 4.01Å; F729-H742 AromaticContact CZ-CD2 3.96Å; F729-H742 PolarHBondContact N-O 2.9Å; F729-H742 VanDerWaalsContact N-O 3.15Å; F729-H742 PolarHBondContact O-N 2.88Å; F729-F744 AromaticContact CD1-CE2 3.97Å; F729-F744 HydrophobicContact CD1-CE2 3.97Å; F729-F744 HydrophobicContact CE1-CD2 4.45Å; F729-F744 AromaticContact CE1-CE2 3.46Å; F729-F744 HydrophobicContact CE1-CE2 3.46Å; F729-F744 VanDerWaalsContact CE1-CE2 3.46Å; F729-F744 AromaticContact CE1-CZ 3.94Å; F729-F744 HydrophobicContact CE1-CZ 3.94Å; F729-F744 HydrophobicContact CZ-CE2 4.33Å
730	I	95.8	Very high	90.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.6	-178	-53.6	178.8	0	0	0	108.6	V647 V655 S715 F716 F739 A740 C741	V647-I730 HydrophobicContact CG2-CD1 4.38Å; V647-I730 HydrophobicContact CG2-CG2 3.72Å; V655-I730 HydrophobicContact CG1-CD1 4.11Å; S715-I730 PolarHBondContact N-O 3.09Å; S715-I730 PolarHBondContact OG-O 2.85Å; F716-I730 HydrophobicContact CB-CB 4.34Å; F716-I730 HydrophobicContact CB-CD1 4.24Å; F716-I730 HydrophobicContact CB-CG1 4.41Å; F716-I730 HydrophobicContact CD1-CD1 4.14Å; F716-I730 PolarHBondContact O-N 2.97Å; I730-F739 HydrophobicContact CG2-CB 3.99Å; I730-A740 CarbonylContact C-O 3.58Å; I730-A740 WeakPolarHBondContact CA-O 3.5Å; I730-C741 HydrophobicContact CG1-CB 4.22Å
731	T	94.4	Very high	90.4	Very high	14 Å²	14	57.2 Å²	57.2	9%	0.086	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	150.9	172.3	57.2	0	0	0	0	111.1	F709 N713 V714 F729 F739 A740 H742	F709-T731 HydrophobicContact CB-CG2 4.4Å; F709-T731 HydrophobicContact CD1-CG2 3.73Å; F709-T731 HydrophobicContact CE1-CG2 4.32Å; F709-T731 HydrophobicContact CG-CG2 4.24Å; N713-T731 CarbonylContact O-C 3.51Å; N713-T731 VanDerWaalsContact O-CA 3.27Å; N713-T731 WeakPolarHBondContact O-CA 3.23Å; V714-T731 HydrophobicContact CG2-CG2 4.46Å; F729-T731 HydrophobicContact CD2-CG2 3.85Å; F729-T731 HydrophobicContact CE2-CG2 3.72Å; T731-F739 CarbonylContact O-C 3.52Å; T731-F739 VanDerWaalsContact O-CA 3.25Å; T731-F739 WeakPolarHBondContact O-CA 3.22Å; T731-A740 PolarHBondContact N-O 2.95Å; T731-A740 PolarHBondContact O-N 3.06Å; T731-A740 PolarHBondContact OG1-O 2.93Å; T731-H742 VanDerWaalsContact CG2-NE2 3.35Å; T731-H742 WeakPolarHBondContact CG2-NE2 3.21Å; T731-H742 PolarHBondContact OG1-NE2 2.94Å
732	K	91.9	Very high	90.6	Very high	80 Å²	80	52.8 Å²	52.8	35%	0.348	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.2	166.6	176.9	174.1	172.8	170.9	0	109.8	N713 F739	N713-K732 PolarHBondContact O-N 3.5Å; K732-F739 HydrophobicContact CB-CD1 3.94Å; K732-F739 HydrophobicContact CB-CE1 3.98Å; K732-F739 HydrophobicContact CD-CE1 4Å; K732-F739 HydrophobicContact CG-CD1 4.13Å; K732-F739 HydrophobicContact CG-CE1 3.79Å
733	H	84.2	Confident	90.9	Very high	44 Å²	44	43.5 Å²	43.5	20%	0.204	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-69	134.6	172.5	-165.6	-125.5	0	0	0	110.8	Y275 A735 D736 R738	Y275-H733 AromaticContact CD2-CD2 3.66Å; Y275-H733 AromaticContact CD2-CE1 3.98Å; Y275-H733 AromaticContact CD2-NE2 3.29Å; Y275-H733 VanDerWaalsContact CD2-NE2 3.29Å; Y275-H733 WeakPolarHBondContact CD2-NE2 3.4Å; Y275-H733 AromaticContact CE2-CE1 3.86Å; Y275-H733 AromaticContact CE2-NE2 3.63Å; Y275-H733 AromaticContact CG-NE2 3.92Å; H733-A735 VanDerWaalsContact C-N 3.32Å; H733-A735 PolarHBondContact O-N 3.3Å; H733-D736 HydrophobicContact CB-CB 4.2Å; H733-D736 IonicContact CE1-OD2 3.63Å; H733-D736 PolarHBondContact CE1-OD2 2.87Å; H733-D736 IonicContact CG-OD2 2.7Å; H733-D736 PolarHBondContact ND1-N 2.84Å; H733-D736 IonicContact ND1-OD2 2.79Å; H733-D736 PolarHBondContact ND1-OD2 3.29Å; H733-R738 HydrophobicContact CB-CB 4.19Å; H733-R738 PolarHBondContact N-O 2.86Å
734	P	76.5	Confident	91	Very high	107 Å²	107	40.3 Å²	40.3	70%	0.695	21%	0.214	S	C	*	.	S	Bend	trans	-62.8	-34.5	-177.5	-26.4	36.5	0	0	0	114.3
735	A	77.4	Confident	91.1	Very high	86 Å²	86	40 Å²	40	71%	0.711	21%	0.21	S	C	*	.	S	Bend	trans	-97.7	-21.4	-176.4	0	0	0	0	0	114.4	H733	H733-A735 VanDerWaalsContact C-N 3.32Å; H733-A735 PolarHBondContact O-N 3.3Å
736	D	78	Confident	91	Very high	54 Å²	54	36.6 Å²	36.6	29%	0.289	20%	0.199	S	C	.	.	S	Bend	trans	-122.6	160.3	-174.6	-54.1	-53.2	0	0	0	112.9	H733 R738	H733-D736 HydrophobicContact CB-CB 4.2Å; H733-D736 IonicContact CE1-OD2 3.63Å; H733-D736 PolarHBondContact CE1-OD2 2.87Å; H733-D736 IonicContact CG-OD2 2.7Å; H733-D736 PolarHBondContact ND1-N 2.84Å; H733-D736 IonicContact ND1-OD2 2.79Å; H733-D736 PolarHBondContact ND1-OD2 3.29Å; D736-R738 HydrophobicContact CB-CB 4Å; D736-R738 HydrophobicContact CB-CG 3.8Å; D736-R738 PolarHBondContact O-N 3.43Å; D736-R738 IonicContact OD2-CZ 3.84Å; D736-R738 VanDerWaalsContact OD2-CZ 3.22Å; D736-R738 IonicContact OD2-NE 3.74Å; D736-R738 PolarHBondContact OD2-NE 2.94Å; D736-R738 IonicContact OD2-NH2 3.64Å; D736-R738 PolarHBondContact OD2-NH2 3.26Å
737	Q	82.4	Confident	90.8	Very high	149 Å²	149	39.7 Å²	39.7	70%	0.696	22%	0.215	S	C	*	.	S	Bend	trans	-78.3	43.7	162.6	-55.5	-70.6	6.7	0	0	111.6
738	R	89.8	Confident	90.6	Very high	72 Å²	72	45.4 Å²	45.4	27%	0.272	25%	0.246	S	C	.	.			trans	-105.6	145.4	176.4	-68.1	-166.6	-77.6	-171.8	-3.4	110.3	E272 H733 D736	E272-R738 IonicContact OE2-CZ 3.41Å; E272-R738 IonicContact OE2-NH1 2.76Å; E272-R738 PolarHBondContact OE2-NH1 3.06Å; H733-R738 HydrophobicContact CB-CB 4.19Å; H733-R738 PolarHBondContact N-O 2.86Å; D736-R738 HydrophobicContact CB-CB 4Å; D736-R738 HydrophobicContact CB-CG 3.8Å; D736-R738 PolarHBondContact O-N 3.43Å; D736-R738 IonicContact OD2-CZ 3.84Å; D736-R738 VanDerWaalsContact OD2-CZ 3.22Å; D736-R738 IonicContact OD2-NE 3.74Å; D736-R738 PolarHBondContact OD2-NE 2.94Å; D736-R738 IonicContact OD2-NH2 3.64Å; D736-R738 PolarHBondContact OD2-NH2 3.26Å
739	F	94.9	Very high	90.5	Very high	29 Å²	29	48 Å²	48	13%	0.127	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.4	-178.2	-49.1	-70.3	0	0	0	111.5	Q646 V647 H650 I730 T731 K732	Q646-F739 WeakPolarHBondContact CA-O 3.36Å; V647-F739 HydrophobicContact CG2-CB 3.76Å; V647-F739 PolarHBondContact N-O 3.14Å; H650-F739 HydrophobicContact CB-CD1 3.62Å; H650-F739 HydrophobicContact CB-CD2 4.45Å; H650-F739 HydrophobicContact CB-CE1 3.5Å; H650-F739 HydrophobicContact CB-CE2 4.34Å; H650-F739 HydrophobicContact CB-CG 4.13Å; H650-F739 HydrophobicContact CB-CZ 3.89Å; I730-F739 HydrophobicContact CG2-CB 3.99Å; T731-F739 CarbonylContact O-C 3.52Å; T731-F739 VanDerWaalsContact O-CA 3.25Å; T731-F739 WeakPolarHBondContact O-CA 3.22Å; K732-F739 HydrophobicContact CB-CD1 3.94Å; K732-F739 HydrophobicContact CB-CE1 3.98Å; K732-F739 HydrophobicContact CD-CE1 4Å; K732-F739 HydrophobicContact CG-CD1 4.13Å; K732-F739 HydrophobicContact CG-CE1 3.79Å
740	A	95	Very high	90.4	Very high	19 Å²	19	48.1 Å²	48.1	16%	0.157	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.5	178.2	0	0	0	0	0	110.8	I730 T731	I730-A740 CarbonylContact C-O 3.58Å; I730-A740 WeakPolarHBondContact CA-O 3.5Å; T731-A740 PolarHBondContact N-O 2.95Å; T731-A740 PolarHBondContact O-N 3.06Å; T731-A740 PolarHBondContact OG1-O 2.93Å
741	C	96	Very high	90.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.8	172.1	-177.3	0	0	0	0	110	S644 V645 V647 A659 F729 I730	S644-C741 CarbonylContact C-O 3.58Å; S644-C741 VanDerWaalsContact CA-O 3.24Å; S644-C741 WeakPolarHBondContact CA-O 3.43Å; V645-C741 HydrophobicContact CG1-CB 4.37Å; V645-C741 PolarHBondContact N-O 2.82Å; V645-C741 PolarHBondContact O-N 2.77Å; V647-C741 HydrophobicContact CG1-CB 3.62Å; V647-C741 HydrophobicContact CG2-CB 4.24Å; A659-C741 HydrophobicContact CB-CB 3.69Å; F729-C741 WeakPolarHBondContact O-CA 3.38Å; I730-C741 HydrophobicContact CG1-CB 4.22Å
742	H	94.7	Very high	90.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.6	175	-49	-83.1	0	0	0	108.8	S644 F709 G728 F729 T731 F744	S644-H742 PolarHBondContact OG-ND1 2.88Å; F709-H742 AromaticContact CE1-CE1 3.62Å; F709-H742 AromaticContact CE1-NE2 3.61Å; F709-H742 AromaticContact CZ-CE1 3.78Å; G728-H742 WeakPolarHBondContact CA-O 3.29Å; F729-H742 AromaticContact CD2-CD2 3.75Å; F729-H742 HydrophobicContact CE1-CB 4.17Å; F729-H742 HydrophobicContact CE2-CB 4.22Å; F729-H742 AromaticContact CE2-CD2 3.37Å; F729-H742 WeakPolarHBondContact CE2-CD2 3.46Å; F729-H742 AromaticContact CE2-CG 3.99Å; F729-H742 HydrophobicContact CZ-CB 4.01Å; F729-H742 AromaticContact CZ-CD2 3.96Å; F729-H742 PolarHBondContact N-O 2.9Å; F729-H742 VanDerWaalsContact N-O 3.15Å; F729-H742 PolarHBondContact O-N 2.88Å; T731-H742 VanDerWaalsContact CG2-NE2 3.35Å; T731-H742 WeakPolarHBondContact CG2-NE2 3.21Å; T731-H742 PolarHBondContact OG1-NE2 2.94Å; H742-F744 HydrophobicContact CB-CE2 3.84Å; H742-F744 HydrophobicContact CB-CZ 4.28Å
743	V	95	Very high	90.4	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.3	-170.6	178.1	0	0	0	0	112.1	L642 G643 M660 I663	L642-V743 WeakPolarHBondContact CA-O 3.25Å; L642-V743 HydrophobicContact CB-CG1 4.24Å; L642-V743 WeakPolarHBondContact CB-O 3.43Å; L642-V743 HydrophobicContact CD1-CG1 4.18Å; L642-V743 PolarHBondContact N-O 2.82Å; G643-V743 PolarHBondContact O-N 2.89Å; M660-V743 HydrophobicContact CB-CG1 4.41Å; M660-V743 HydrophobicContact CG-CG1 3.92Å; M660-V743 HydrophobicContact CG-CG2 4.04Å; I663-V743 HydrophobicContact CD1-CB 3.83Å; I663-V743 HydrophobicContact CD1-CG2 3.71Å
744	F	94.9	Very high	90.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.7	-173.7	-57.3	-91.7	0	0	0	110.6	L639 K640 F641 L681 L690 Y726 F727 F729 H742	L639-F744 HydrophobicContact CB-CB 4.29Å; L639-F744 HydrophobicContact CB-CD1 4.28Å; L639-F744 HydrophobicContact CD1-CB 3.85Å; L639-F744 HydrophobicContact CD1-CD1 4.02Å; L639-F744 HydrophobicContact CD1-CG 3.97Å; K640-F744 WeakPolarHBondContact O-CA 3.05Å; F641-F744 HydrophobicContact CB-CD1 4.34Å; F641-F744 HydrophobicContact CB-CE1 4.26Å; F641-F744 AromaticContact CD2-CD1 3.94Å; F641-F744 HydrophobicContact CD2-CD1 3.94Å; F641-F744 AromaticContact CD2-CE1 3.45Å; F641-F744 HydrophobicContact CD2-CE1 3.45Å; F641-F744 VanDerWaalsContact CD2-CE1 3.45Å; F641-F744 AromaticContact CD2-CZ 3.79Å; F641-F744 HydrophobicContact CD2-CZ 3.79Å; F641-F744 HydrophobicContact CE2-CE1 4.16Å; F641-F744 HydrophobicContact CE2-CZ 4.04Å; F641-F744 HydrophobicContact CG-CE1 4.22Å; L681-F744 HydrophobicContact CD1-CD2 4.46Å; L681-F744 HydrophobicContact CD1-CE1 4.41Å; L681-F744 HydrophobicContact CD1-CE2 4.35Å; L681-F744 HydrophobicContact CD1-CZ 4.32Å; L681-F744 HydrophobicContact CD2-CE1 4.06Å; L681-F744 HydrophobicContact CD2-CZ 4.02Å; L681-F744 HydrophobicContact CG-CE1 4.39Å; L690-F744 HydrophobicContact CD1-CE1 3.82Å; L690-F744 HydrophobicContact CD1-CZ 4.32Å; L690-F744 HydrophobicContact CD2-CE1 4.38Å; L690-F744 HydrophobicContact CD2-CZ 4.26Å; Y726-F744 WeakPolarHBondContact CA-O 3.41Å; F727-F744 HydrophobicContact CD1-CD2 4.14Å; F727-F744 PolarHBondContact N-O 2.87Å; F727-F744 PolarHBondContact O-N 2.95Å; F729-F744 AromaticContact CD1-CE2 3.97Å; F729-F744 HydrophobicContact CD1-CE2 3.97Å; F729-F744 HydrophobicContact CE1-CD2 4.45Å; F729-F744 AromaticContact CE1-CE2 3.46Å; F729-F744 HydrophobicContact CE1-CE2 3.46Å; F729-F744 VanDerWaalsContact CE1-CE2 3.46Å; F729-F744 AromaticContact CE1-CZ 3.94Å; F729-F744 HydrophobicContact CE1-CZ 3.94Å; F729-F744 HydrophobicContact CZ-CE2 4.33Å; H742-F744 HydrophobicContact CB-CE2 3.84Å; H742-F744 HydrophobicContact CB-CZ 4.28Å
745	V	93.7	Very high	91.7	Very high	28 Å²	28	49.2 Å²	49.2	17%	0.17	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.6	169.1	68.4	0	0	0	0	110.9	K640 L642 K725 Y726	K640-V745 HydrophobicContact CB-CG1 3.85Å; K640-V745 PolarHBondContact N-O 3.45Å; K640-V745 PolarHBondContact O-N 2.89Å; L642-V745 HydrophobicContact CD1-CB 3.9Å; L642-V745 HydrophobicContact CD1-CG1 4.03Å; L642-V745 HydrophobicContact CD2-CG1 3.83Å; L642-V745 HydrophobicContact CG-CB 4.22Å; L642-V745 HydrophobicContact CG-CG1 3.93Å; K725-V745 HydrophobicContact CB-CG2 4.25Å; K725-V745 CarbonylContact O-C 3.06Å; K725-V745 WeakPolarHBondContact O-CA 3.48Å; Y726-V745 HydrophobicContact CD2-CG2 4.47Å; Y726-V745 HydrophobicContact CE2-CG2 4.36Å
746	S	93.4	Very high	92.5	Very high	24 Å²	24	45.7 Å²	45.7	17%	0.168	24%	0.237	C	C	.	.			trans	-110.4	164.4	171.9	-169.5	0	0	0	0	110.9	K725 N748	K725-S746 WeakPolarHBondContact CB-O 3.44Å; K725-S746 PolarHBondContact O-N 3.08Å; S746-N748 VanDerWaalsContact C-N 3.35Å; S746-N748 PolarHBondContact OG-N 3.2Å
747	E	90.4	Very high	93.3	Very high	126 Å²	126	43.1 Å²	43.1	59%	0.589	22%	0.224	S	C	*	.	S	Bend	trans	-81.4	-23.3	168.8	-66.1	177.9	-167.4	0	0	111	K640 K725	K640-E747 IonicContact NZ-OE1 3.32Å; K640-E747 PolarHBondContact NZ-OE1 3.11Å; K725-E747 WeakPolarHBondContact CE-O 3.31Å; K725-E747 PolarHBondContact NZ-O 3.22Å
748	N	91.9	Very high	93.8	Very high	120 Å²	120	37.2 Å²	37.2	64%	0.642	20%	0.203	S	C	*	.	S	Bend	trans	-105.3	-174.8	177.6	-62.3	82.2	0	0	0	111.3	S746	S746-N748 VanDerWaalsContact C-N 3.35Å; S746-N748 PolarHBondContact OG-N 3.2Å
749	S	93.2	Very high	94	Very high	55 Å²	55	37.7 Å²	37.7	39%	0.385	21%	0.207	S	C	.	.			trans	-75.3	136.9	172.4	-166.8	0	0	0	0	111	S724	S724-S749 WeakPolarHBondContact CB-OG 3.35Å; S724-S749 PolarHBondContact OG-OG 3.48Å
750	T	95.2	Very high	93.8	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.018	20%	0.201	C	C	.	.			trans	-93.8	9.6	179.3	60.7	0	0	0	0	113.5	L639 Y719 S724 K725 Y726 F727 L753 A754	L639-T750 HydrophobicContact CD2-CG2 4.4Å; Y719-T750 WeakPolarHBondContact CB-OG1 3.19Å; S724-T750 WeakPolarHBondContact O-CB 3.3Å; S724-T750 PolarHBondContact O-N 3.42Å; S724-T750 PolarHBondContact O-OG1 3.42Å; K725-T750 WeakPolarHBondContact O-CG2 3.37Å; Y726-T750 PolarHBondContact O-OG1 2.96Å; F727-T750 HydrophobicContact CB-CG2 3.91Å; T750-L753 HydrophobicContact CG2-CD2 4.41Å; T750-L753 WeakPolarHBondContact O-CB 3.36Å; T750-L753 PolarHBondContact O-N 3.32Å; T750-L753 VanDerWaalsContact O-N 3.16Å; T750-A754 PolarHBondContact O-N 2.98Å; T750-A754 VanDerWaalsContact O-N 3.13Å
751	K	93.3	Very high	93.7	Very high	76 Å²	76	36.9 Å²	36.9	33%	0.33	20%	0.2	S	C	.	.	H	α-helix	trans	-53.7	-46.3	173	-63.2	-160.1	179.9	-149.8	0	113.2	Y719 L753 A754 E755	Y719-K751 HydrophobicContact CD1-CG 4.12Å; Y719-K751 HydrophobicContact CD2-CG 4.35Å; Y719-K751 HydrophobicContact CE1-CB 4.37Å; Y719-K751 HydrophobicContact CE1-CD 4.27Å; Y719-K751 HydrophobicContact CE1-CG 3.76Å; Y719-K751 HydrophobicContact CE2-CD 4.28Å; Y719-K751 HydrophobicContact CE2-CG 3.99Å; Y719-K751 HydrophobicContact CG-CG 4.41Å; Y719-K751 VanDerWaalsContact OH-CE 3.23Å; Y719-K751 WeakPolarHBondContact OH-CE 3.4Å; Y719-K751 PolarHBondContact OH-NZ 2.95Å; K751-L753 PolarHBondContact O-N 3.04Å; K751-A754 PolarHBondContact O-N 3.02Å; K751-E755 WeakPolarHBondContact CB-OE1 3.34Å; K751-E755 VanDerWaalsContact O-CG 3.31Å; K751-E755 WeakPolarHBondContact O-CG 3.47Å; K751-E755 PolarHBondContact O-N 3.43Å
752	P	93.6	Very high	93.3	Very high	57 Å²	57	42.7 Å²	42.7	37%	0.37	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-31	178.8	-23.5	36	0	0	0	113.5	Y637 E755 S756	Y637-P752 HydrophobicContact CE1-CB 4.21Å; Y637-P752 PolarHBondContact OH-O 2.9Å; Y637-P752 VanDerWaalsContact OH-O 3.13Å; P752-E755 WeakPolarHBondContact CA-OE2 3.46Å; P752-E755 PolarHBondContact O-N 3.09Å; P752-S756 WeakPolarHBondContact O-CB 3.42Å; P752-S756 PolarHBondContact O-N 2.68Å; P752-S756 PolarHBondContact O-OG 3.07Å
753	L	94.9	Very high	93	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-40.5	175.6	162.9	63.4	0	0	0	111.6	Y637 L639 L681 I683 F727 T750 K751 I757	Y637-L753 HydrophobicContact CD1-CB 3.99Å; Y637-L753 HydrophobicContact CD2-CB 4.25Å; Y637-L753 HydrophobicContact CD2-CD1 3.66Å; Y637-L753 HydrophobicContact CE1-CB 4.07Å; Y637-L753 HydrophobicContact CE2-CB 4.32Å; Y637-L753 HydrophobicContact CE2-CD1 4.15Å; Y637-L753 HydrophobicContact CG-CB 4.08Å; Y637-L753 HydrophobicContact CG-CD1 3.98Å; Y637-L753 HydrophobicContact CG-CG 4.49Å; L639-L753 HydrophobicContact CD1-CD2 3.51Å; L639-L753 HydrophobicContact CD2-CD2 4.02Å; L639-L753 HydrophobicContact CG-CD2 4.35Å; L681-L753 HydrophobicContact CD1-CD1 4.13Å; L681-L753 HydrophobicContact CD1-CD2 4.5Å; I683-L753 HydrophobicContact CD1-CD1 3.5Å; I683-L753 VanDerWaalsContact CD1-CD1 3.5Å; F727-L753 HydrophobicContact CB-CD2 3.89Å; F727-L753 HydrophobicContact CD1-CD1 4.47Å; F727-L753 HydrophobicContact CD1-CD2 3.38Å; F727-L753 HydrophobicContact CD1-CG 3.85Å; F727-L753 HydrophobicContact CD2-CD2 4.04Å; F727-L753 HydrophobicContact CD2-CG 4.02Å; F727-L753 HydrophobicContact CE1-CD1 4.17Å; F727-L753 HydrophobicContact CE1-CD2 3.91Å; F727-L753 HydrophobicContact CE1-CG 3.88Å; F727-L753 HydrophobicContact CE2-CG 4.09Å; F727-L753 HydrophobicContact CG-CD2 3.46Å; F727-L753 VanDerWaalsContact CG-CD2 3.46Å; F727-L753 HydrophobicContact CG-CG 3.93Å; F727-L753 HydrophobicContact CZ-CD1 4.44Å; F727-L753 HydrophobicContact CZ-CD2 4.48Å; F727-L753 HydrophobicContact CZ-CG 4.04Å; T750-L753 HydrophobicContact CG2-CD2 4.41Å; T750-L753 WeakPolarHBondContact O-CB 3.36Å; T750-L753 PolarHBondContact O-N 3.32Å; T750-L753 VanDerWaalsContact O-N 3.16Å; K751-L753 PolarHBondContact O-N 3.04Å; L753-I757 HydrophobicContact CD1-CD1 3.72Å; L753-I757 HydrophobicContact CD1-CG1 4.5Å; L753-I757 HydrophobicContact CG-CD1 4.45Å; L753-I757 WeakPolarHBondContact O-CG1 3.04Å; L753-I757 PolarHBondContact O-N 2.92Å; L753-I757 VanDerWaalsContact O-N 3.09Å
754	A	94.4	Very high	92.6	Very high	14 Å²	14	47.9 Å²	47.9	12%	0.116	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-39.4	172.7	0	0	0	0	0	112	Y719 F727 T750 K751 I757 G758	Y719-A754 HydrophobicContact CD1-CB 3.9Å; Y719-A754 HydrophobicContact CE1-CB 4.49Å; F727-A754 HydrophobicContact CD2-CB 4.32Å; F727-A754 HydrophobicContact CE2-CB 3.88Å; T750-A754 PolarHBondContact O-N 2.98Å; T750-A754 VanDerWaalsContact O-N 3.13Å; K751-A754 PolarHBondContact O-N 3.02Å; A754-I757 PolarHBondContact O-N 3.13Å; A754-G758 PolarHBondContact O-N 2.89Å
755	E	93.5	Very high	91.9	Very high	119 Å²	119	54.7 Å²	54.7	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-62	-44.3	175.6	-71.5	153.2	-158.2	0	0	111.4	K751 P752 G758 K759	K751-E755 WeakPolarHBondContact CB-OE1 3.34Å; K751-E755 VanDerWaalsContact O-CG 3.31Å; K751-E755 WeakPolarHBondContact O-CG 3.47Å; K751-E755 PolarHBondContact O-N 3.43Å; P752-E755 WeakPolarHBondContact CA-OE2 3.46Å; P752-E755 PolarHBondContact O-N 3.09Å; E755-G758 PolarHBondContact O-N 2.87Å; E755-K759 PolarHBondContact O-N 3.13Å
756	S	95.1	Very high	91.3	Very high	13 Å²	13	58.8 Å²	58.8	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-69.5	-36.8	176.6	-68.2	0	0	0	0	113.1	W633 D635 Y637 P752 G758 K759 A760	W633-S756 VanDerWaalsContact CH2-O 3.3Å; W633-S756 WeakPolarHBondContact CH2-O 3.44Å; D635-S756 WeakPolarHBondContact OD2-CB 3.34Å; D635-S756 PolarHBondContact OD2-OG 3.46Å; Y637-S756 PolarHBondContact OH-OG 3.07Å; Y637-S756 VanDerWaalsContact OH-OG 3.07Å; P752-S756 WeakPolarHBondContact O-CB 3.42Å; P752-S756 PolarHBondContact O-N 2.68Å; P752-S756 PolarHBondContact O-OG 3.07Å; S756-G758 VanDerWaalsContact C-N 3.33Å; S756-K759 PolarHBondContact O-N 3.07Å; S756-A760 PolarHBondContact O-N 2.86Å
757	I	94.1	Very high	90.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.6	-34.9	172.3	-68.5	163.4	0	0	0	111	I683 I688 C717 F727 L753 A754 A760 F761	I683-I757 HydrophobicContact CD1-CD1 4.05Å; I683-I757 HydrophobicContact CD1-CG1 3.82Å; I683-I757 HydrophobicContact CG1-CD1 4.2Å; I683-I757 HydrophobicContact CG1-CG1 3.84Å; I683-I757 HydrophobicContact CG2-CG1 3.87Å; I688-I757 HydrophobicContact CD1-CD1 3.71Å; I688-I757 HydrophobicContact CD1-CG1 4.06Å; I688-I757 HydrophobicContact CD1-CG2 4.16Å; I688-I757 HydrophobicContact CG1-CD1 4.42Å; I688-I757 HydrophobicContact CG1-CG1 4.44Å; C717-I757 HydrophobicContact CB-CG2 4.08Å; C717-I757 VanDerWaalsContact SG-CG2 3.53Å; F727-I757 HydrophobicContact CE1-CD1 3.77Å; F727-I757 HydrophobicContact CE2-CD1 4.47Å; F727-I757 HydrophobicContact CZ-CD1 3.43Å; F727-I757 VanDerWaalsContact CZ-CD1 3.43Å; L753-I757 HydrophobicContact CD1-CD1 3.72Å; L753-I757 HydrophobicContact CD1-CG1 4.5Å; L753-I757 HydrophobicContact CG-CD1 4.45Å; L753-I757 WeakPolarHBondContact O-CG1 3.04Å; L753-I757 PolarHBondContact O-N 2.92Å; L753-I757 VanDerWaalsContact O-N 3.09Å; A754-I757 PolarHBondContact O-N 3.13Å; I757-A760 WeakPolarHBondContact O-CB 3.48Å; I757-A760 PolarHBondContact O-N 3.22Å; I757-F761 HydrophobicContact CG2-CD2 4Å; I757-F761 HydrophobicContact CG2-CE2 3.67Å; I757-F761 HydrophobicContact CG2-CZ 4.42Å; I757-F761 WeakPolarHBondContact O-CD2 3.19Å; I757-F761 PolarHBondContact O-N 3.48Å
758	G	92.9	Very high	89.1	Confident	25 Å²	25	61.5 Å²	61.5	26%	0.258	30%	0.302	S	S	.	.	H	α-helix	trans	-59.7	-44.2	169.3	0	0	0	0	0	113	A754 E755 S756 F761 Q762	A754-G758 PolarHBondContact O-N 2.89Å; E755-G758 PolarHBondContact O-N 2.87Å; S756-G758 VanDerWaalsContact C-N 3.33Å; G758-F761 WeakPolarHBondContact O-CB 3.37Å; G758-F761 PolarHBondContact O-N 3.16Å; G758-Q762 WeakPolarHBondContact O-CG 3.3Å; G758-Q762 PolarHBondContact O-N 3.25Å
759	K	92.8	Very high	87.5	Confident	81 Å²	81	59.1 Å²	59.1	35%	0.352	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-41.5	172.7	175.8	-175.9	167	-168.9	0	112	W633 E755 S756 F761 Q762 L763	W633-K759 HydrophobicContact CD2-CD 4.34Å; W633-K759 VanDerWaalsContact CD2-NZ 3.3Å; W633-K759 HydrophobicContact CE3-CD 4.43Å; W633-K759 HydrophobicContact CH2-CB 4.25Å; W633-K759 HydrophobicContact CH2-CD 3.89Å; W633-K759 HydrophobicContact CH2-CG 4.1Å; W633-K759 HydrophobicContact CZ2-CD 3.73Å; W633-K759 HydrophobicContact CZ2-CG 4.44Å; W633-K759 HydrophobicContact CZ3-CD 4.23Å; W633-K759 HydrophobicContact CZ3-CG 4.21Å; W633-K759 VanDerWaalsContact NE1-NZ 3.13Å; E755-K759 PolarHBondContact O-N 3.13Å; S756-K759 PolarHBondContact O-N 3.07Å; K759-F761 VanDerWaalsContact C-N 3.34Å; K759-F761 PolarHBondContact O-N 3.26Å; K759-Q762 PolarHBondContact O-N 3.46Å; K759-L763 HydrophobicContact CG-CD1 4.08Å; K759-L763 HydrophobicContact CG-CG 4.46Å; K759-L763 WeakPolarHBondContact O-CG 3.47Å; K759-L763 PolarHBondContact O-N 3.46Å
760	A	92.3	Very high	85.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-44.8	175.8	0	0	0	0	0	110.9	W633 I683 L711 S756 I757 L763 Y764	W633-A760 HydrophobicContact CH2-CB 4.29Å; W633-A760 HydrophobicContact CZ3-CB 3.99Å; I683-A760 HydrophobicContact CG2-CB 3.88Å; L711-A760 HydrophobicContact CD2-CB 3.94Å; L711-A760 WeakPolarHBondContact CD2-O 3.49Å; S756-A760 PolarHBondContact O-N 2.86Å; I757-A760 WeakPolarHBondContact O-CB 3.48Å; I757-A760 PolarHBondContact O-N 3.22Å; A760-L763 PolarHBondContact O-N 2.59Å; A760-Y764 VanDerWaalsContact O-CB 3.29Å; A760-Y764 WeakPolarHBondContact O-CB 3.39Å; A760-Y764 PolarHBondContact O-N 3.28Å
761	F	91.3	Very high	83.2	Confident	31 Å²	31	70.8 Å²	70.8	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-59.6	-48.1	172.1	-75.4	-55.7	0	0	0	112.4	L711 V714 I757 G758 K759 L763 Y764 Y765	L711-F761 HydrophobicContact CD1-CD1 3.77Å; L711-F761 HydrophobicContact CD1-CE1 3.53Å; L711-F761 HydrophobicContact CD1-CG 4.46Å; L711-F761 HydrophobicContact CD1-CZ 4.05Å; L711-F761 HydrophobicContact CD2-CD1 4.38Å; L711-F761 HydrophobicContact CG-CD1 3.9Å; L711-F761 HydrophobicContact CG-CE1 3.96Å; V714-F761 HydrophobicContact CB-CE1 4.22Å; V714-F761 HydrophobicContact CB-CZ 3.9Å; V714-F761 HydrophobicContact CG1-CZ 3.79Å; V714-F761 VanDerWaalsContact O-CE1 3.3Å; V714-F761 WeakPolarHBondContact O-CE1 3.3Å; V714-F761 WeakPolarHBondContact O-CZ 3.48Å; I757-F761 HydrophobicContact CG2-CD2 4Å; I757-F761 HydrophobicContact CG2-CE2 3.67Å; I757-F761 HydrophobicContact CG2-CZ 4.42Å; I757-F761 WeakPolarHBondContact O-CD2 3.19Å; I757-F761 PolarHBondContact O-N 3.48Å; G758-F761 WeakPolarHBondContact O-CB 3.37Å; G758-F761 PolarHBondContact O-N 3.16Å; K759-F761 VanDerWaalsContact C-N 3.34Å; K759-F761 PolarHBondContact O-N 3.26Å; F761-L763 VanDerWaalsContact C-N 3.33Å; F761-L763 PolarHBondContact O-N 2.66Å; F761-Y764 PolarHBondContact O-N 3.14Å; F761-Y765 HydrophobicContact CB-CD2 4.2Å; F761-Y765 HydrophobicContact CB-CE2 4.2Å; F761-Y765 HydrophobicContact CD1-CE2 4.28Å; F761-Y765 WeakPolarHBondContact O-CB 3.36Å; F761-Y765 WeakPolarHBondContact O-CD2 3.43Å; F761-Y765 PolarHBondContact O-N 2.89Å
762	Q	89	Confident	80.8	Confident	122 Å²	122	71.2 Å²	71.2	57%	0.57	35%	0.35	S	S	*	.	H	α-helix	trans	-58.5	-43.5	179.4	-74.2	171.2	-7.4	0	0	112.4	G758 K759 K766	G758-Q762 WeakPolarHBondContact O-CG 3.3Å; G758-Q762 PolarHBondContact O-N 3.25Å; K759-Q762 PolarHBondContact O-N 3.46Å; Q762-K766 WeakPolarHBondContact O-CB 3.39Å; Q762-K766 PolarHBondContact O-N 3.33Å
763	L	88.2	Confident	78.1	Confident	68 Å²	68	72.7 Å²	72.7	36%	0.356	36%	0.361	S	S	.	.	H	α-helix	trans	-65.8	-43.8	176.1	-70	172.3	0	0	0	111.6	W633 V685 K759 A760 F761 K766 E767	W633-L763 HydrophobicContact CE3-CD1 3.86Å; W633-L763 HydrophobicContact CZ3-CD1 4.19Å; V685-L763 HydrophobicContact CG1-CB 3.63Å; V685-L763 HydrophobicContact CG1-CD1 3.89Å; V685-L763 HydrophobicContact CG1-CG 4.41Å; K759-L763 HydrophobicContact CG-CD1 4.08Å; K759-L763 HydrophobicContact CG-CG 4.46Å; K759-L763 WeakPolarHBondContact O-CG 3.47Å; K759-L763 PolarHBondContact O-N 3.46Å; A760-L763 PolarHBondContact O-N 2.59Å; F761-L763 VanDerWaalsContact C-N 3.33Å; F761-L763 PolarHBondContact O-N 2.66Å; L763-K766 PolarHBondContact O-N 3.04Å; L763-E767 VanDerWaalsContact O-CB 3.3Å; L763-E767 WeakPolarHBondContact O-CB 3.45Å; L763-E767 PolarHBondContact O-N 3.34Å
764	Y	86.4	Confident	75.3	Confident	43 Å²	43	77.3 Å²	77.3	17%	0.169	39%	0.391	C	S	.	.	H	α-helix	trans	-65.2	-43.3	177.9	-178.4	-96.4	0	0	0	112.7	V685 L711 K712 A760 F761 K766 E767 F768	V685-Y764 WeakPolarHBondContact O-CD2 3.31Å; L711-Y764 HydrophobicContact CB-CD2 4.46Å; L711-Y764 HydrophobicContact CB-CG 4.48Å; L711-Y764 HydrophobicContact CD2-CD2 4.39Å; L711-Y764 HydrophobicContact CD2-CG 3.98Å; L711-Y764 HydrophobicContact CG-CG 4.38Å; K712-Y764 HydrophobicContact CB-CE1 4.32Å; A760-Y764 VanDerWaalsContact O-CB 3.29Å; A760-Y764 WeakPolarHBondContact O-CB 3.39Å; A760-Y764 PolarHBondContact O-N 3.28Å; F761-Y764 PolarHBondContact O-N 3.14Å; Y764-K766 VanDerWaalsContact C-N 3.33Å; Y764-K766 PolarHBondContact O-N 2.91Å; Y764-E767 PolarHBondContact O-N 2.97Å; Y764-F768 AromaticContact CD2-CD2 3.36Å; Y764-F768 HydrophobicContact CD2-CD2 3.36Å; Y764-F768 AromaticContact CD2-CE2 3.57Å; Y764-F768 HydrophobicContact CD2-CE2 3.57Å; Y764-F768 HydrophobicContact CD2-CG 4.11Å; Y764-F768 HydrophobicContact CD2-CZ 4.44Å; Y764-F768 HydrophobicContact CE1-CB 4.4Å; Y764-F768 HydrophobicContact CE1-CG 4.5Å; Y764-F768 HydrophobicContact CE2-CB 4.33Å; Y764-F768 HydrophobicContact CE2-CD1 4.04Å; Y764-F768 AromaticContact CE2-CD2 3.24Å; Y764-F768 HydrophobicContact CE2-CD2 3.24Å; Y764-F768 HydrophobicContact CE2-CE1 4.17Å; Y764-F768 AromaticContact CE2-CE2 3.42Å; Y764-F768 HydrophobicContact CE2-CE2 3.42Å; Y764-F768 VanDerWaalsContact CE2-CE2 3.42Å; Y764-F768 AromaticContact CE2-CG 3.59Å; Y764-F768 HydrophobicContact CE2-CG 3.59Å; Y764-F768 AromaticContact CE2-CZ 3.89Å; Y764-F768 HydrophobicContact CE2-CZ 3.89Å; Y764-F768 HydrophobicContact CG-CD2 4.09Å; Y764-F768 AromaticContact CZ-CD2 3.91Å; Y764-F768 AromaticContact CZ-CG 3.78Å; Y764-F768 WeakPolarHBondContact O-CB 3.34Å; Y764-F768 WeakPolarHBondContact O-CD2 3.48Å; Y764-F768 PolarHBondContact O-N 2.79Å
765	Y	81	Confident	72.4	Confident	143 Å²	143	81.6 Å²	81.6	56%	0.561	42%	0.416	S	S	*	.	H	α-helix	trans	-63	-40.2	174	-79.5	-63.5	0	0	0	111.4	F761 V769	F761-Y765 HydrophobicContact CB-CD2 4.2Å; F761-Y765 HydrophobicContact CB-CE2 4.2Å; F761-Y765 HydrophobicContact CD1-CE2 4.28Å; F761-Y765 WeakPolarHBondContact O-CB 3.36Å; F761-Y765 WeakPolarHBondContact O-CD2 3.43Å; F761-Y765 PolarHBondContact O-N 2.89Å; Y765-V769 HydrophobicContact CD1-CG2 3.87Å; Y765-V769 WeakPolarHBondContact O-CA 3.43Å; Y765-V769 WeakPolarHBondContact O-CB 3.23Å; Y765-V769 WeakPolarHBondContact O-CG2 3.41Å; Y765-V769 PolarHBondContact O-N 3.5Å
766	K	79.6	Confident	69.7	Low	114 Å²	114	84.8 Å²	84.8	50%	0.496	43%	0.431	S	S	.	.	H	α-helix	trans	-61.6	-57.9	173.4	-179.5	160.8	170.2	59.9	0	111.4	Q762 L763 Y764 F768 E770	Q762-K766 WeakPolarHBondContact O-CB 3.39Å; Q762-K766 PolarHBondContact O-N 3.33Å; L763-K766 PolarHBondContact O-N 3.04Å; Y764-K766 VanDerWaalsContact C-N 3.33Å; Y764-K766 PolarHBondContact O-N 2.91Å; K766-F768 PolarHBondContact O-N 3.36Å; K766-E770 HydrophobicContact CG-CG 4.37Å; K766-E770 VanDerWaalsContact CG-OE2 3.29Å; K766-E770 WeakPolarHBondContact CG-OE2 3.45Å; K766-E770 IonicContact NZ-OE1 3.15Å; K766-E770 PolarHBondContact NZ-OE1 3.03Å; K766-E770 IonicContact NZ-OE2 2.66Å; K766-E770 PolarHBondContact NZ-OE2 3.38Å; K766-E770 WeakPolarHBondContact O-CB 3.36Å; K766-E770 VanDerWaalsContact O-CG 3.32Å; K766-E770 WeakPolarHBondContact O-CG 3.45Å; K766-E770 PolarHBondContact O-N 2.96Å; K766-E770 VanDerWaalsContact O-N 3.12Å
767	E	72.6	Confident	66.9	Low	106 Å²	106	90.7 Å²	90.7	50%	0.495	46%	0.461	S	S	.	.	H	α-helix	trans	-62.1	-36.9	-175.2	-173.7	170.9	-152.5	0	0	113.5	L763 Y764	L763-E767 VanDerWaalsContact O-CB 3.3Å; L763-E767 WeakPolarHBondContact O-CB 3.45Å; L763-E767 PolarHBondContact O-N 3.34Å; Y764-E767 PolarHBondContact O-N 2.97Å
768	F	65.7	Low	64.4	Low	100 Å²	100	97.2 Å²	97.2	44%	0.439	50%	0.495	S	S	.	.	H	α-helix	trans	-101.2	-21.3	-176	-71.3	-99.7	0	0	0	114.8	Y764 K766 S772	Y764-F768 AromaticContact CD2-CD2 3.36Å; Y764-F768 HydrophobicContact CD2-CD2 3.36Å; Y764-F768 AromaticContact CD2-CE2 3.57Å; Y764-F768 HydrophobicContact CD2-CE2 3.57Å; Y764-F768 HydrophobicContact CD2-CG 4.11Å; Y764-F768 HydrophobicContact CD2-CZ 4.44Å; Y764-F768 HydrophobicContact CE1-CB 4.4Å; Y764-F768 HydrophobicContact CE1-CG 4.5Å; Y764-F768 HydrophobicContact CE2-CB 4.33Å; Y764-F768 HydrophobicContact CE2-CD1 4.04Å; Y764-F768 AromaticContact CE2-CD2 3.24Å; Y764-F768 HydrophobicContact CE2-CD2 3.24Å; Y764-F768 HydrophobicContact CE2-CE1 4.17Å; Y764-F768 AromaticContact CE2-CE2 3.42Å; Y764-F768 HydrophobicContact CE2-CE2 3.42Å; Y764-F768 VanDerWaalsContact CE2-CE2 3.42Å; Y764-F768 AromaticContact CE2-CG 3.59Å; Y764-F768 HydrophobicContact CE2-CG 3.59Å; Y764-F768 AromaticContact CE2-CZ 3.89Å; Y764-F768 HydrophobicContact CE2-CZ 3.89Å; Y764-F768 HydrophobicContact CG-CD2 4.09Å; Y764-F768 AromaticContact CZ-CD2 3.91Å; Y764-F768 AromaticContact CZ-CG 3.78Å; Y764-F768 WeakPolarHBondContact O-CB 3.34Å; Y764-F768 WeakPolarHBondContact O-CD2 3.48Å; Y764-F768 PolarHBondContact O-N 2.79Å; K766-F768 PolarHBondContact O-N 3.36Å; F768-S772 VanDerWaalsContact O-CB 3.26Å; F768-S772 WeakPolarHBondContact O-CB 3.46Å; F768-S772 PolarHBondContact O-N 2.85Å; F768-S772 PolarHBondContact O-OG 2.78Å
769	V	58.6	Low	61.7	Low	71 Å²	71	105.9 Å²	105.9	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-95.1	-32.4	177.3	-173	0	0	0	0	112.7	Y765 F771 S772 C773	Y765-V769 HydrophobicContact CD1-CG2 3.87Å; Y765-V769 WeakPolarHBondContact O-CA 3.43Å; Y765-V769 WeakPolarHBondContact O-CB 3.23Å; Y765-V769 WeakPolarHBondContact O-CG2 3.41Å; Y765-V769 PolarHBondContact O-N 3.5Å; V769-F771 PolarHBondContact O-N 3.27Å; V769-F771 VanDerWaalsContact O-N 3.13Å; V769-S772 PolarHBondContact O-N 2.81Å; V769-C773 PolarHBondContact O-N 3.26Å
770	E	51.3	Low	58.8	Low	129 Å²	129	109.7 Å²	109.7	60%	0.603	55%	0.545	S	S	*	.	H	α-helix	trans	-61.4	-18.9	165.6	-65.6	-179.3	162.4	0	0	111.7	K766	K766-E770 HydrophobicContact CG-CG 4.37Å; K766-E770 VanDerWaalsContact CG-OE2 3.29Å; K766-E770 WeakPolarHBondContact CG-OE2 3.45Å; K766-E770 IonicContact NZ-OE1 3.15Å; K766-E770 PolarHBondContact NZ-OE1 3.03Å; K766-E770 IonicContact NZ-OE2 2.66Å; K766-E770 PolarHBondContact NZ-OE2 3.38Å; K766-E770 WeakPolarHBondContact O-CB 3.36Å; K766-E770 VanDerWaalsContact O-CG 3.32Å; K766-E770 WeakPolarHBondContact O-CG 3.45Å; K766-E770 PolarHBondContact O-N 2.96Å; K766-E770 VanDerWaalsContact O-N 3.12Å
771	F	46.1	Very low	55.9	Low	174 Å²	174	122.2 Å²	122.2	76%	0.763	60%	0.603	S	S	*	*	H	α-helix	trans	-106.5	-19.8	-179.6	-153.1	-90.7	0	0	0	115.2	V769	V769-F771 PolarHBondContact O-N 3.27Å; V769-F771 VanDerWaalsContact O-N 3.13Å
772	S	42.7	Very low	54.2	Low	84 Å²	84	126.8 Å²	126.8	59%	0.587	63%	0.626	S	S	*	*	H	α-helix	trans	-94.2	-10.9	175.5	54.3	0	0	0	0	114.2	F768 V769 P774	F768-S772 VanDerWaalsContact O-CB 3.26Å; F768-S772 WeakPolarHBondContact O-CB 3.46Å; F768-S772 PolarHBondContact O-N 2.85Å; F768-S772 PolarHBondContact O-OG 2.78Å; V769-S772 PolarHBondContact O-N 2.81Å; S772-P774 VanDerWaalsContact C-CD 3.48Å
773	C	38.5	Very low	52.3	Low	89 Å²	89	127 Å²	127	60%	0.601	63%	0.629	S	S	*	*			trans	-122.4	75.3	161.7	-69.5	0	0	0	0	110.4	V769 T775	V769-C773 PolarHBondContact O-N 3.26Å; C773-T775 PolarHBondContact O-N 2.73Å; C773-T775 VanDerWaalsContact O-N 3.14Å
774	P	35.3	Very low	50.3	Low	97 Å²	97	130.3 Å²	130.3	63%	0.63	65%	0.645	S	S	*	*			trans	-61.7	111.4	149.9	29.5	-30	0	0	0	106.4	S772 E776	S772-P774 VanDerWaalsContact C-CD 3.48Å; P774-E776 PolarHBondContact O-N 2.74Å
775	T	33.9	Very low	48.2	Very low	105 Å²	105	135.4 Å²	135.4	64%	0.644	67%	0.673	S	S	*	*			trans	-55.9	136.1	166.9	-44.5	0	0	0	0	107.5	C773 D777	C773-T775 PolarHBondContact O-N 2.73Å; C773-T775 VanDerWaalsContact O-N 3.14Å; T775-D777 VanDerWaalsContact CB-OD2 3.31Å; T775-D777 WeakPolarHBondContact CB-OD2 3.5Å; T775-D777 VanDerWaalsContact CG2-CG 3.49Å; T775-D777 WeakPolarHBondContact CG2-OD2 3.33Å; T775-D777 PolarHBondContact O-N 2.68Å
776	E	36.4	Very low	46.2	Very low	186 Å²	186	134.9 Å²	134.9	87%	0.869	68%	0.68	S	S	*	*			trans	-74.8	47	176.9	-64.1	-172.1	133.8	0	0	111.5	P774 I778	P774-E776 PolarHBondContact O-N 2.74Å; E776-I778 PolarHBondContact O-N 2.75Å
777	D	35.6	Very low	43.9	Very low	136 Å²	136	136.3 Å²	136.3	73%	0.727	69%	0.692	S	S	*	*			trans	-76.3	46.2	173.9	-66.6	-34.1	0	0	0	111.1	T775	T775-D777 VanDerWaalsContact CB-OD2 3.31Å; T775-D777 WeakPolarHBondContact CB-OD2 3.5Å; T775-D777 VanDerWaalsContact CG2-CG 3.49Å; T775-D777 WeakPolarHBondContact CG2-OD2 3.33Å; T775-D777 PolarHBondContact O-N 2.68Å
778	I	43.5	Very low	41.9	Very low	138 Å²	138	138.5 Å²	138.5	71%	0.708	71%	0.706	S	S	*	*			trans	-115.2	90.2	152.3	-57.4	177.7	0	0	0	105.7	E776	E776-I778 PolarHBondContact O-N 2.75Å
779	Y	35.1	Very low	40.1	Very low	206 Å²	206	141.5 Å²	141.5	81%	0.808	73%	0.726	S	S	*	*			trans	-172.5	114.9	130.6	-90.8	-48.2	0	0	0	113.6
780	L	31.9	Very low	38.5	Very low	162 Å²	162	147.3 Å²	147.3	85%	0.848	75%	0.751	S	S	*	*			trans	68	144.1	167.6	-67.3	80.9	0	0	0	115.1
781	E	32.1	Very low	37.4	Very low	262 Å²	262	149 Å²	149	100%	1.224	77%	0.765	S	S	*	*			cis	-111.6	0	15.8	-167.1	163.1	-140.2	0	0	114.5

Retrieved 781 of 781 residues in 699.6 ms (Link to these results)

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