A0A087XWN8_POEFO Loading...

Atos homolog protein B

AlphaFold DB , UniProt , Accession A0A087XWN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 606 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	37.9	Very low	37.3	Very low	230 Å²	230	172.7 Å²	172.7	100%	1.133	84%	0.843	S	S	*	*				0	164.2	0	-71	141.6	170.5	0	0	109.2
2	R	42	Very low	36.9	Very low	244 Å²	244	174.8 Å²	174.8	92%	0.921	84%	0.844	S	S	*	*			trans	-120.5	120.3	166.3	-70.8	-175.3	179.6	178.4	0.2	107.7
3	H	33.4	Very low	36.5	Very low	184 Å²	184	168.6 Å²	168.6	85%	0.852	84%	0.84	S	S	*	*			trans	-76.1	137.5	178.5	-70.4	-102.6	0	0	0	109.7
4	I	46.7	Very low	36	Very low	153 Å²	153	170.4 Å²	170.4	79%	0.785	84%	0.844	S	S	*	*			trans	-109.6	117	169.3	-60.7	176.9	0	0	0	106.2	V6	I4-V6 HydrophobicContact CG2-CG2 4.32Å
5	H	34.5	Very low	35.9	Very low	182 Å²	182	170.1 Å²	170.1	84%	0.843	85%	0.846	S	S	*	*			trans	-79.1	128.9	173	-148.5	113	0	0	0	108
6	V	40.7	Very low	35.3	Very low	117 Å²	117	171.4 Å²	171.4	71%	0.709	85%	0.849	S	S	*	*			trans	-114.7	101.7	177.2	179.6	0	0	0	0	108.1	I4	I4-V6 HydrophobicContact CG2-CG2 4.32Å
7	E	36.1	Very low	35.5	Very low	174 Å²	174	170.6 Å²	170.6	81%	0.813	85%	0.847	S	S	*	*			trans	-81.7	119.2	177.9	-167.2	-179.1	148.7	0	0	110.1	A9	E7-A9 PolarHBondContact O-N 3.19Å
8	L	34.9	Very low	35.5	Very low	142 Å²	142	167.8 Å²	167.8	74%	0.743	84%	0.844	S	S	*	*			trans	-95.4	82.3	-172.3	-166.3	78.8	0	0	0	111.6	Q10	L8-Q10 PolarHBondContact O-N 2.86Å
9	A	36.8	Very low	35.4	Very low	91 Å²	91	164.3 Å²	164.3	75%	0.752	84%	0.844	S	S	*	*			trans	-67.1	93.7	179.7	0	0	0	0	0	112.9	E7 K11	E7-A9 PolarHBondContact O-N 3.19Å; A9-K11 PolarHBondContact O-N 3.45Å; A9-K11 VanDerWaalsContact O-N 3.12Å
10	Q	32.9	Very low	35.3	Very low	177 Å²	177	165.2 Å²	165.2	83%	0.827	84%	0.844	S	S	*	*			trans	-71.8	98.5	174.2	-70.8	-172.6	-13.1	0	0	111.8	L8 K12	L8-Q10 PolarHBondContact O-N 2.86Å; Q10-K12 PolarHBondContact O-N 3.33Å
11	K	34.3	Very low	35.2	Very low	206 Å²	206	165.2 Å²	165.2	90%	0.896	84%	0.841	S	S	*	*			trans	-82	95.2	171.6	-167.6	170.6	-175.8	175.7	0	111.1	A9	A9-K11 PolarHBondContact O-N 3.45Å; A9-K11 VanDerWaalsContact O-N 3.12Å
12	K	32.2	Very low	35	Very low	197 Å²	197	158.1 Å²	158.1	86%	0.857	83%	0.826	S	S	*	*			trans	-66.7	141.8	175.5	-158.4	172.3	-174.8	178.2	0	110.8	Q10	Q10-K12 PolarHBondContact O-N 3.33Å
13	A	31.8	Very low	34.5	Very low	95 Å²	95	153.8 Å²	153.8	79%	0.785	82%	0.821	S	S	*	*			trans	-72.9	150.5	175.3	0	0	0	0	0	111.4
14	Q	30.1	Very low	34.7	Very low	193 Å²	193	152.2 Å²	152.2	90%	0.902	82%	0.818	S	S	*	*			trans	-115.6	128.6	178.2	-166.3	170	4	0	0	108.1
15	L	34.3	Very low	34.5	Very low	167 Å²	167	150.3 Å²	150.3	87%	0.874	82%	0.816	S	S	*	*			trans	-78.6	148.6	175.9	-92.9	87.4	0	0	0	111.1
16	E	25.5	Very low	34.8	Very low	190 Å²	190	147.7 Å²	147.7	89%	0.888	82%	0.815	S	S	*	*			trans	-89.2	140.8	170.6	-163.3	173.7	130.7	0	0	109.3
17	L	38.8	Very low	34.4	Very low	158 Å²	158	147.7 Å²	147.7	83%	0.827	82%	0.82	S	S	*	*			trans	-115	147.1	172.4	-81.5	172	0	0	0	109.5
18	P	36.8	Very low	34.1	Very low	121 Å²	121	143.6 Å²	143.6	79%	0.786	82%	0.816	S	S	*	*			trans	-72.6	153	-174.7	31.1	-36	0	0	0	112.4
19	A	33.6	Very low	34.1	Very low	101 Å²	101	142 Å²	142	84%	0.835	82%	0.817	S	S	*	*			trans	-87.8	146.2	170.6	0	0	0	0	0	111.3
20	Q	33.5	Very low	34.6	Very low	181 Å²	181	142.9 Å²	142.9	85%	0.846	82%	0.815	S	S	*	*			trans	-148.2	169.3	162.8	-119.4	-170.8	-30.3	0	0	111
21	E	32.2	Very low	34.5	Very low	167 Å²	167	142.1 Å²	142.1	78%	0.78	81%	0.813	S	S	*	*			trans	-28	136.2	-174.8	-92.4	73.8	168.4	0	0	117.3
22	G	34	Very low	34.3	Very low	80 Å²	80	140.2 Å²	140.2	83%	0.825	81%	0.809	S	S	*	*			trans	-104.5	133.2	157.4	0	0	0	0	0	110.2
23	D	31.8	Very low	34.2	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	81%	0.808	S	S	*	*			trans	-140.7	173	165.2	-147.2	-26.2	0	0	0	110.1
24	L	37.9	Very low	34.1	Very low	152 Å²	152	133.6 Å²	133.6	80%	0.796	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-77.5	152.3	-150.7	-68.1	164.5	0	0	0	116.6
25	P	42.2	Very low	34	Very low	113 Å²	113	134.1 Å²	134.1	73%	0.734	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-91.4	149.2	179.3	36.1	-35.3	0	0	0	113.9
26	P	39.9	Very low	33.9	Very low	127 Å²	127	131.2 Å²	131.2	83%	0.825	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-85.3	162	160.3	34.2	-32.2	0	0	0	112.5
27	S	32	Very low	34.1	Very low	116 Å²	116	126.6 Å²	126.6	81%	0.811	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-79	149.9	-172	51.8	0	0	0	0	115.5
28	A	31.6	Very low	33.7	Very low	89 Å²	89	123.9 Å²	123.9	74%	0.736	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-61.2	148.3	161.7	0	0	0	0	0	110.7
29	S	34	Very low	33.3	Very low	108 Å²	108	124.6 Å²	124.6	76%	0.755	79%	0.791	S	S	*	*				159.6	-179.7	75.2	54.3	0	0	0	0	108.2
30	P	47.9	Very low	33	Very low	110 Å²	110	123.8 Å²	123.8	71%	0.714	79%	0.792	S	S	*	*			cis	-126.2	-173.3	-20.2	22.6	1.9	0	0	0	113.2
31	M	29.9	Very low	32.9	Very low	160 Å²	160	120.3 Å²	120.3	79%	0.788	79%	0.788	S	S	*	*			trans	11.9	146	149.4	-53.9	177.5	78.5	0	0	119.8
32	M	30.1	Very low	32.7	Very low	166 Å²	166	121 Å²	121	82%	0.818	79%	0.79	S	S	*	*				-176	149.5	54.5	-166.7	174	-68	0	0	113.1
33	G	29.7	Very low	32.4	Very low	80 Å²	80	121.1 Å²	121.1	83%	0.825	78%	0.784	S	S	*	*			trans	81.2	156.5	169.3	0	0	0	0	0	115.6
34	G	30.1	Very low	32.3	Very low	73 Å²	73	121 Å²	121	75%	0.753	78%	0.784	S	S	*	*			cis	-176.8	168.5	-4.1	0	0	0	0	0	113.7
35	F	28.8	Very low	31.9	Very low	205 Å²	205	117.5 Å²	117.5	90%	0.899	78%	0.776	S	S	*	*			trans	-48.9	160	169.2	-51.1	-84	0	0	0	113.4
36	S	31.5	Very low	31.3	Very low	105 Å²	105	120.2 Å²	120.2	73%	0.734	78%	0.779	S	S	*	*			cis	-168.8	-175	-7.2	-108.3	0	0	0	0	109.1
37	A	29.6	Very low	30.8	Very low	94 Å²	94	123 Å²	123	78%	0.777	78%	0.781	S	S	*	*			trans	-17.7	153.7	161.5	0	0	0	0	0	118
38	S	30.3	Very low	30.6	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	79%	0.785	S	S	*	*				-175.4	168.4	51	55	0	0	0	0	115.4
39	T	28.7	Very low	31.3	Very low	136 Å²	136	129.9 Å²	129.9	83%	0.834	79%	0.785	S	S	*	*			trans	13.5	132.4	147.9	57.8	0	0	0	0	121.5
40	G	26.7	Very low	31	Very low	83 Å²	83	130.9 Å²	130.9	86%	0.856	79%	0.791	S	S	*	*			trans	-160.7	115.8	157.5	0	0	0	0	0	112.1
41	S	31.5	Very low	30.1	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	80%	0.802	S	S	*	*			trans	-134.5	133.3	-170	57.3	0	0	0	0	113.5
42	H	27.9	Very low	30	Very low	180 Å²	180	134.7 Å²	134.7	83%	0.833	80%	0.803	S	S	*	*			trans	-164.4	129.3	157.8	-114.5	-98.1	0	0	0	105.8
43	A	29.5	Very low	29.9	Very low	84 Å²	84	129.6 Å²	129.6	69%	0.694	79%	0.793	S	S	*	*				59.2	125.1	63.1	0	0	0	0	0	111.6
44	D	28.6	Very low	29.8	Very low	151 Å²	151	136.2 Å²	136.2	81%	0.807	80%	0.795	S	S	*	*				-160.7	177.1	56.9	-156.3	-10.9	0	0	0	113.5
45	A	30.2	Very low	29.9	Very low	78 Å²	78	142.4 Å²	142.4	65%	0.645	80%	0.801	S	S	*	*			trans	52.1	153	145.5	0	0	0	0	0	122.5
46	Q	29.5	Very low	30	Very low	170 Å²	170	143.4 Å²	143.4	79%	0.794	80%	0.799	S	S	*	*			cis	-179.2	142	-18.6	172.4	174	-67.5	0	0	107.9
47	Q	28.6	Very low	29.7	Very low	184 Å²	184	145.2 Å²	145.2	86%	0.86	81%	0.805	S	S	*	*			trans	161.1	154.2	140.5	-87.7	171.5	30.8	0	0	115.3
48	R	28.7	Very low	29.7	Very low	238 Å²	238	146.7 Å²	146.7	90%	0.898	80%	0.799	S	S	*	*			trans	-127.5	175.8	167.8	-83.3	-175.5	-176.6	161.2	1.4	106.5
49	P	45.4	Very low	29.4	Very low	112 Å²	112	149.6 Å²	149.6	73%	0.727	80%	0.802	S	S	*	*			cis	-130.5	-175.2	14.5	30.2	-4	0	0	0	113.3
50	C	27.4	Very low	29.3	Very low	130 Å²	130	150.7 Å²	150.7	88%	0.878	80%	0.797	S	S	*	*				-174.4	179.9	75	-110.3	0	0	0	0	113.9
51	R	29.6	Very low	30.1	Very low	250 Å²	250	151 Å²	151	94%	0.943	79%	0.785	S	S	*	*			trans	-110.6	146	-168.3	-81.1	175.1	159.6	178.6	-5.1	115.8
52	A	27.8	Very low	30	Very low	99 Å²	99	153 Å²	153	82%	0.818	78%	0.781	S	S	*	*			trans	-155	156.1	134.9	0	0	0	0	0	107.1
53	G	27.9	Very low	30.1	Very low	59 Å²	59	150.8 Å²	150.8	61%	0.608	78%	0.775	S	S	*	*			cis	101	115	21.6	0	0	0	0	0	109.1
54	Y	27.3	Very low	30	Very low	219 Å²	219	151.2 Å²	151.2	86%	0.859	77%	0.769	S	S	*	*			cis	-154.9	150.5	21	-73.6	-96.8	0	0	0	115.1
55	K	32.7	Very low	30.2	Very low	203 Å²	203	152.4 Å²	152.4	88%	0.883	77%	0.77	S	S	*	*			trans	55	153.4	143.9	-70	-172.7	174.2	-175.5	0	123.6
56	R	30.1	Very low	30.1	Very low	226 Å²	226	158.5 Å²	158.5	85%	0.853	78%	0.782	S	S	*	*			trans	-110.5	148.2	179.1	-71.3	173.7	-89.5	145.2	-8.2	112.2
57	V	25.8	Very low	30.1	Very low	144 Å²	144	160.9 Å²	160.9	87%	0.873	78%	0.784	S	S	*	*			trans	-157.2	129	152.9	-177.7	0	0	0	0	105.2
58	L	29.5	Very low	29.9	Very low	124 Å²	124	157.9 Å²	157.9	65%	0.649	78%	0.783	S	S	*	*			cis	76.7	88.2	-2.3	-169.3	65.2	0	0	0	118.6
59	E	23.9	Very low	29.9	Very low	162 Å²	162	152.6 Å²	152.6	76%	0.757	77%	0.768	S	S	*	*				-166.4	169.9	113.1	-103.4	-50.9	136.6	0	0	111.8
60	E	26.3	Very low	29.1	Very low	159 Å²	159	155.1 Å²	155.1	74%	0.743	78%	0.775	S	S	*	*			trans	-108.6	-151.6	-177	-141.8	-153.8	108.6	0	0	108.9
61	P	44.5	Very low	29.2	Very low	91 Å²	91	156.4 Å²	156.4	59%	0.591	77%	0.767	S	S	*	*			cis	-142.1	-177.3	-18.9	45.3	-27.7	0	0	0	117.3
62	Q	27.9	Very low	29	Very low	149 Å²	149	152 Å²	152	70%	0.696	76%	0.763	S	S	*	*			trans	71.5	119.2	147.7	-58.5	-123.3	-28.7	0	0	121.8
63	L	30.8	Very low	29.1	Very low	134 Å²	134	152.4 Å²	152.4	70%	0.702	76%	0.755	S	S	*	*				82	150.2	97.7	-61.7	-160.4	0	0	0	115.3
64	T	27.4	Very low	29.4	Very low	93 Å²	93	154.5 Å²	154.5	57%	0.571	76%	0.761	S	S	*	*			cis	-164.5	164.3	1.5	6.2	0	0	0	0	113.7
65	H	33.6	Very low	29.5	Very low	176 Å²	176	151.7 Å²	151.7	82%	0.815	76%	0.76	S	S	*	*			trans	70.1	161.5	154.9	-61.1	-36	0	0	0	118
66	K	28.1	Very low	29.4	Very low	207 Å²	207	149 Å²	149	90%	0.9	76%	0.756	S	S	*	*			cis	-145	166.4	22.3	-161.7	173.9	179.7	-179.2	0	114.1
67	R	28.8	Very low	29.5	Very low	220 Å²	220	146.4 Å²	146.4	83%	0.83	75%	0.753	S	S	*	*			trans	-98.3	156.7	-177.7	170.3	-175.5	177.7	-175	0.5	112.3
68	S	25.3	Very low	29.6	Very low	120 Å²	120	145.1 Å²	145.1	84%	0.839	75%	0.745	S	S	*	*			trans	-132.5	133.1	163.7	53	0	0	0	0	112.3
69	H	27.1	Very low	29.9	Very low	127 Å²	127	146.1 Å²	146.1	59%	0.588	75%	0.75	S	S	*	*			trans	-166.7	128.1	168.3	173.9	-74.4	0	0	0	107.3	E71	H69-E71 IonicContact CE1-OE2 3.7Å
70	L	30.1	Very low	30.1	Very low	166 Å²	166	146.2 Å²	146.2	87%	0.869	75%	0.751	S	S	*	*			trans	-159.1	146.5	158.6	-149	68.3	0	0	0	110.1
71	E	28.7	Very low	30.2	Very low	156 Å²	156	141.6 Å²	141.6	73%	0.729	75%	0.745	S	S	*	*			trans	-104.1	158.6	168.4	-62.7	160.3	100	0	0	108.2	H69	H69-E71 IonicContact CE1-OE2 3.7Å
72	D	24.7	Very low	29.4	Very low	158 Å²	158	140.6 Å²	140.6	85%	0.845	75%	0.751	S	S	*	*			trans	-159.1	179.6	138.9	-139.3	-28.7	0	0	0	112
73	T	30.4	Very low	29.5	Very low	108 Å²	108	139.8 Å²	139.8	66%	0.663	76%	0.757	S	S	*	*			trans	-138.2	141.8	-145.9	-24.4	0	0	0	0	114.1
74	S	35.2	Very low	29.4	Very low	103 Å²	103	140.9 Å²	140.9	72%	0.72	76%	0.762	S	S	*	*			trans	41.5	129.5	149.8	60	0	0	0	0	122.4
75	D	28.8	Very low	29.4	Very low	160 Å²	160	142.3 Å²	142.3	86%	0.856	77%	0.774	S	S	*	*			trans	-157.9	168.9	134.6	-122.3	-30	0	0	0	113.6
76	N	29.5	Very low	29	Very low	147 Å²	147	137.1 Å²	137.1	79%	0.786	77%	0.769	S	S	*	*			trans	-100.3	-167.4	179.1	-64.6	-81.5	0	0	0	111.5
77	E	32.6	Very low	29.1	Very low	170 Å²	170	133.5 Å²	133.5	79%	0.794	77%	0.769	S	S	*	*			cis	-165.4	-172.3	16.3	-150.8	-171	132.8	0	0	110.9
78	V	28.5	Very low	29.1	Very low	117 Å²	117	129 Å²	129	71%	0.709	77%	0.767	S	S	*	*			trans	72.9	147.5	158.5	155.5	0	0	0	0	117.5
79	I	34.8	Very low	30.1	Very low	146 Å²	146	128.7 Å²	128.7	75%	0.749	76%	0.762	S	S	*	*			cis	-169.8	172	-27.1	-144.9	177.1	0	0	0	106.4
80	E	28.3	Very low	30.5	Very low	164 Å²	164	125.6 Å²	125.6	77%	0.766	76%	0.758	S	S	*	*			cis	-157.8	167.8	10.4	-140.9	-59	80.7	0	0	109.3
81	G	28.8	Very low	30.9	Very low	61 Å²	61	122.2 Å²	122.2	63%	0.629	74%	0.738	S	S	*	*			trans	87.3	148	150	0	0	0	0	0	117.8
82	G	27.3	Very low	31.2	Very low	70 Å²	70	117 Å²	117	72%	0.722	72%	0.721	S	S	*	*			cis	168.8	137.9	-10.4	0	0	0	0	0	114.7
83	V	29.9	Very low	31.9	Very low	133 Å²	133	117 Å²	117	81%	0.806	72%	0.722	S	S	*	*			trans	66.5	113	142.1	-174.5	0	0	0	0	122
84	L	29.7	Very low	32.1	Very low	157 Å²	157	115 Å²	115	82%	0.822	72%	0.722	S	S	*	*			trans	63.9	149.2	144.2	-65.1	170.9	0	0	0	125.2
85	C	27.8	Very low	32	Very low	122 Å²	122	117.8 Å²	117.8	82%	0.824	73%	0.729	S	S	*	*			trans	13.6	137	148.2	-56.6	0	0	0	0	120.3
86	G	25.4	Very low	32.1	Very low	68 Å²	68	113.8 Å²	113.8	70%	0.701	73%	0.725	S	S	*	*			cis	123.9	171.3	38.6	0	0	0	0	0	111.7
87	S	29	Very low	32.3	Very low	130 Å²	130	112 Å²	112	91%	0.909	72%	0.724	S	S	*	*			trans	83.6	137.1	161.7	-54.7	0	0	0	0	122
88	T	29.6	Very low	32.2	Very low	126 Å²	126	111 Å²	111	77%	0.773	72%	0.723	S	S	*	*			trans	-96.5	174.7	161.3	52.4	0	0	0	0	110.7
89	P	46	Very low	32.5	Very low	113 Å²	113	111.6 Å²	111.6	73%	0.734	73%	0.727	S	S	*	*				-124.2	160.4	106	1	21	0	0	0	111.9
90	A	35	Very low	32.1	Very low	62 Å²	62	107.9 Å²	107.9	51%	0.512	73%	0.725	S	S	.	*			cis	72.6	145.7	48.9	0	0	0	0	0	112.7	A180	A90-A180 CarbonylContact C-O 2.94Å
91	Q	39.1	Very low	33	Very low	96 Å²	96	106.5 Å²	106.5	45%	0.449	73%	0.73	S	S	.	*			cis	-166.9	-176.1	9	-138.6	179.1	72.9	0	0	107.5	L179 A180 R181 T182	Q91-L179 PolarHBondContact NE2-O 2.86Å; Q91-L179 PolarHBondContact OE1-O 3.16Å; Q91-A180 VanDerWaalsContact CB-C 3.47Å; Q91-A180 WeakPolarHBondContact CB-O 3.13Å; Q91-A180 PolarHBondContact N-O 2.99Å; Q91-R181 CarbonylContact O-C 3.57Å; Q91-R181 WeakPolarHBondContact O-CA 3.36Å; Q91-T182 WeakPolarHBondContact O-CA 3.32Å; Q91-T182 PolarHBondContact O-N 2.64Å; Q91-T182 VanDerWaalsContact O-N 3.16Å
92	A	35.5	Very low	33	Very low	46 Å²	46	107.3 Å²	107.3	38%	0.38	74%	0.738	S	S	.	*			cis	-161.2	160.2	-0.3	0	0	0	0	0	110.2
93	N	38.4	Very low	33.1	Very low	159 Å²	159	107.6 Å²	107.6	85%	0.85	74%	0.741	S	S	*	*			trans	64.3	153.1	148.9	-56.5	-6.7	0	0	0	120.3
94	G	34	Very low	33.8	Very low	64 Å²	64	107.1 Å²	107.1	66%	0.66	74%	0.741	S	S	*	*			cis	-174.7	-177	-0.2	0	0	0	0	0	109.1
95	N	34	Very low	33.7	Very low	163 Å²	163	106 Å²	106	87%	0.872	74%	0.74	S	S	*	*			cis	-145.9	-167	4.3	-62.7	-64.4	0	0	0	107.4
96	G	29.9	Very low	33.8	Very low	76 Å²	76	105.2 Å²	105.2	78%	0.784	74%	0.736	S	S	*	*			cis	-165.7	-166.7	7.7	0	0	0	0	0	112.2
97	S	34.2	Very low	35.2	Very low	110 Å²	110	106.1 Å²	106.1	77%	0.769	73%	0.73	S	S	*	*			trans	-105.5	167	-163.7	-173.3	0	0	0	0	114.8
98	I	31.1	Very low	35	Very low	149 Å²	149	110.1 Å²	110.1	76%	0.764	73%	0.726	S	S	*	*				-179.5	125.7	125.1	-92.7	156.5	0	0	0	113.8
99	T	35.6	Very low	34.8	Very low	129 Å²	129	109.1 Å²	109.1	79%	0.791	72%	0.724	S	S	*	*			trans	47.7	143.1	158.1	58.2	0	0	0	0	124.5
100	G	25.8	Very low	33.8	Very low	68 Å²	68	108.5 Å²	108.5	70%	0.701	72%	0.721	S	S	*	*			trans	-91.4	-143.2	157.5	0	0	0	0	0	112.2
101	P	47	Very low	33.4	Very low	135 Å²	135	113.1 Å²	113.1	88%	0.877	73%	0.734	S	S	*	*			cis	-136.1	-177.4	5.6	44	-27.5	0	0	0	115.7
102	G	27.6	Very low	33.1	Very low	78 Å²	78	115.3 Å²	115.3	80%	0.804	74%	0.744	S	S	*	*			trans	92.2	143.4	148.7	0	0	0	0	0	119.4
103	G	30.4	Very low	33	Very low	76 Å²	76	121.3 Å²	121.3	78%	0.784	77%	0.769	S	S	*	*			trans	-93.6	-157	156.9	0	0	0	0	0	110.9
104	P	45	Very low	32.9	Very low	122 Å²	122	120.7 Å²	120.7	79%	0.792	76%	0.761	S	S	*	*			cis	-144.2	-158.6	18.5	33.4	-7.6	0	0	0	115.5
105	V	26.8	Very low	32.7	Very low	134 Å²	134	126 Å²	126	81%	0.812	77%	0.768	S	S	*	*			trans	79.1	149.1	159.2	-139.1	0	0	0	0	120.3
106	S	30	Very low	32.7	Very low	105 Å²	105	127 Å²	127	73%	0.734	76%	0.76	S	S	*	*			trans	-93.7	-150.2	164.9	-151.2	0	0	0	0	108.4
107	P	54.2	Low	32.6	Very low	88 Å²	88	129.1 Å²	129.1	57%	0.571	75%	0.753	S	S	*	*			cis	-132	-165.7	-26.4	19.4	8.1	0	0	0	113.4
108	Y	26.3	Very low	32.6	Very low	214 Å²	214	127.7 Å²	127.7	84%	0.839	75%	0.748	S	S	*	*			trans	78.1	113.9	154.2	-66.9	-64.6	0	0	0	123.5
109	S	25.3	Very low	32.6	Very low	105 Å²	105	129.9 Å²	129.9	73%	0.734	76%	0.755	S	S	*	*				69.2	152.7	109.8	-151.6	0	0	0	0	124.5
110	C	23.7	Very low	32.3	Very low	99 Å²	99	127.8 Å²	127.8	67%	0.669	76%	0.76	S	S	*	*			trans	99.9	120	146.6	-79	0	0	0	0	123
111	M	27.3	Very low	32.5	Very low	159 Å²	159	127.9 Å²	127.9	78%	0.783	76%	0.761	S	S	*	*			trans	68.4	102.4	138.6	-56.1	-56.2	117	0	0	122.3
112	H	33.7	Very low	31.9	Very low	142 Å²	142	129.7 Å²	129.7	66%	0.657	76%	0.762	S	S	*	*				28.2	123.4	102.8	-151.4	111.2	0	0	0	119.4	E114	H112-E114 IonicContact CD2-OE2 3.89Å; H112-E114 IonicContact CE1-OE2 3.93Å; H112-E114 IonicContact NE2-OE2 3.37Å; H112-E114 PolarHBondContact NE2-OE2 3.13Å
113	L	32.2	Very low	32	Very low	172 Å²	172	131.4 Å²	131.4	90%	0.901	76%	0.762	S	S	*	*			trans	-154.8	151.5	141.8	-151.6	69.2	0	0	0	112
114	E	36.2	Very low	33.1	Very low	146 Å²	146	133.1 Å²	133.1	68%	0.682	76%	0.759	S	S	*	*			trans	-116.5	162.2	-174.3	-69	165.6	56.6	0	0	113.2	H112	H112-E114 IonicContact CD2-OE2 3.89Å; H112-E114 IonicContact CE1-OE2 3.93Å; H112-E114 IonicContact NE2-OE2 3.37Å; H112-E114 PolarHBondContact NE2-OE2 3.13Å
115	H	30.9	Very low	32.4	Very low	176 Å²	176	138.8 Å²	138.8	82%	0.815	76%	0.764	S	S	*	*			trans	-168.8	142.8	162.2	-124.9	-134.9	0	0	0	107.8
116	R	32.8	Very low	32.8	Very low	183 Å²	183	137.6 Å²	137.6	69%	0.691	76%	0.762	S	S	*	*			cis	-160.7	171.5	-15.3	-132.9	-176.7	170.7	-122.1	9.3	104.8
117	D	29	Very low	34	Very low	121 Å²	121	138.2 Å²	138.2	65%	0.647	76%	0.764	S	S	*	*			cis	-146	138.1	31.8	-85.8	-64.4	0	0	0	109.4
118	A	34.2	Very low	33.9	Very low	80 Å²	80	138.8 Å²	138.8	66%	0.661	77%	0.767	S	S	*	*				75.9	138.6	91.6	0	0	0	0	0	114.5
119	E	30.1	Very low	33.9	Very low	195 Å²	195	136.3 Å²	136.3	91%	0.911	77%	0.768	S	S	*	*			cis	-132.7	163.6	16.3	-61.3	-155.1	103.6	0	0	115.2
120	G	30.2	Very low	34.4	Very low	86 Å²	86	136.6 Å²	136.6	89%	0.887	77%	0.77	S	S	*	*			trans	64.2	121.9	143.7	0	0	0	0	0	120.8
121	G	30.8	Very low	35.5	Very low	70 Å²	70	137.1 Å²	137.1	72%	0.722	77%	0.772	S	S	*	*			cis	169.3	155.9	-6.1	0	0	0	0	0	113.4
122	L	33	Very low	35.7	Very low	173 Å²	173	134.3 Å²	134.3	91%	0.906	77%	0.768	S	S	*	*			trans	65.9	85.3	163.9	-51.1	-177.8	0	0	0	119.7
123	S	30.8	Very low	35.7	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	77%	0.774	S	S	*	*				14.6	158.5	117.3	-66.9	0	0	0	0	121.9
124	P	53.4	Low	36	Very low	112 Å²	112	132.9 Å²	132.9	73%	0.727	77%	0.765	S	S	*	*			cis	-141.3	-163.4	-15.4	37.8	-16.5	0	0	0	114.5
125	R	28.9	Very low	36.6	Very low	240 Å²	240	131.7 Å²	131.7	91%	0.906	77%	0.77	S	S	*	*			trans	73.9	120.9	160.8	-78.4	-178.1	172.2	172.2	-2.8	119.5
126	S	36	Very low	36.8	Very low	109 Å²	109	128.5 Å²	128.5	76%	0.762	77%	0.768	S	S	*	*			trans	-73.9	171.5	142	-20	0	0	0	0	110.4
127	P	54.6	Low	36.9	Very low	118 Å²	118	131.5 Å²	131.5	77%	0.766	78%	0.779	S	S	*	*			cis	-127.3	-133.4	-1.4	39.6	-18.4	0	0	0	108.9
128	P	53	Low	37.5	Very low	100 Å²	100	137 Å²	137	65%	0.649	79%	0.79	S	S	*	*			cis	-116.7	-151.7	-45.5	28.1	-6.4	0	0	0	111.2
129	L	25.6	Very low	38.3	Very low	163 Å²	163	138.4 Å²	138.4	85%	0.853	79%	0.793	S	S	*	*			trans	93.8	130.6	154.8	-52	178.3	0	0	0	120.7
130	S	35	Very low	38.6	Very low	110 Å²	110	133 Å²	133	77%	0.769	78%	0.781	S	S	*	*			trans	-67.4	175.4	150.7	-32.1	0	0	0	0	110.5
131	P	48	Very low	38.9	Very low	111 Å²	111	136.9 Å²	136.9	72%	0.721	78%	0.777	S	S	*	*			cis	-147.6	-163.5	23.7	43.8	-22.3	0	0	0	116.3
132	S	30.5	Very low	39.2	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	78%	0.775	S	S	*	*			trans	78.8	151.5	162.3	85.3	0	0	0	0	116.6
133	Q	34	Very low	39.4	Very low	168 Å²	168	137.8 Å²	137.8	79%	0.785	76%	0.761	S	S	*	*			cis	-151.3	164	4.7	-138.1	167.2	97.5	0	0	113.1
134	T	39.2	Very low	39.8	Very low	115 Å²	115	139.3 Å²	139.3	71%	0.706	76%	0.755	S	S	*	*			trans	-22.7	162.4	166.4	44.3	0	0	0	0	120.2
135	P	49.3	Very low	38.8	Very low	122 Å²	122	140.8 Å²	140.8	79%	0.792	76%	0.757	S	S	*	*			cis	-140.2	-177	35	47.1	-29.2	0	0	0	115.7
136	S	33.8	Very low	39.2	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	75%	0.749	S	S	*	*			cis	-156	169.7	6.3	-150.3	0	0	0	0	113.8
137	R	35.3	Very low	39.9	Very low	245 Å²	245	139.6 Å²	139.6	93%	0.925	75%	0.752	S	S	*	*			trans	69.1	146.1	163.3	-79.4	-171.6	168.9	-138.7	-2.6	121.7
138	R	40.9	Very low	39.2	Very low	236 Å²	236	139.5 Å²	139.5	89%	0.891	74%	0.744	S	S	*	*			trans	-144.3	-172.3	179.5	-118.9	-168.1	-167.5	161.9	4.2	107.1
139	P	52.5	Low	39.2	Very low	111 Å²	111	140.1 Å²	140.1	72%	0.721	75%	0.748	S	S	*	*			cis	-89.1	-147.5	-1.5	41.2	-38.1	0	0	0	111.1
140	A	35.7	Very low	39.5	Very low	80 Å²	80	139.8 Å²	139.8	66%	0.661	75%	0.747	S	S	*	*			cis	-159.4	168.7	1	0	0	0	0	0	108
141	Q	37.2	Very low	39.5	Very low	169 Å²	169	138 Å²	138	79%	0.79	74%	0.739	S	S	*	*			cis	-157.8	142.1	-24.2	-107	159.1	-114.3	0	0	106.7
142	H	35.3	Very low	38.9	Very low	147 Å²	147	142.4 Å²	142.4	68%	0.681	75%	0.747	S	S	*	*				59.1	117.2	92.5	-147.3	79.4	0	0	0	115
143	N	37.6	Very low	39.4	Very low	115 Å²	115	142 Å²	142	62%	0.615	75%	0.75	S	S	*	*			cis	-170.5	-174.2	-12.1	-126.1	21.2	0	0	0	110.7
144	H	40	Very low	40.1	Very low	145 Å²	145	140 Å²	140	67%	0.671	75%	0.752	S	S	*	*			trans	76.9	140.8	167.1	-57.2	-75.3	0	0	0	116.6
145	D	31.4	Very low	40.1	Very low	144 Å²	144	142.7 Å²	142.7	77%	0.77	76%	0.761	S	S	*	*			cis	-152	-179.2	-10.1	-131.7	-50.1	0	0	0	113
146	R	37.4	Very low	39.6	Very low	196 Å²	196	142.7 Å²	142.7	74%	0.74	76%	0.763	S	S	*	*			trans	-112.1	158.1	176.4	-126.1	-175.2	-173.7	-174.7	2.8	111.1
147	P	51.2	Low	40.4	Very low	127 Å²	127	143.4 Å²	143.4	83%	0.825	77%	0.765	S	S	*	*				-147.6	-161.1	73.7	39.1	-17.8	0	0	0	116
148	I	41	Very low	40.1	Very low	117 Å²	117	141.8 Å²	141.8	60%	0.6	77%	0.765	S	S	*	*			trans	-119.7	143	-168.5	-76.7	166.4	0	0	0	107.7
149	P	51.9	Low	40.1	Very low	112 Å²	112	135.9 Å²	135.9	73%	0.727	76%	0.76	S	S	*	*				-153.4	-177.9	87.3	43.5	-22.2	0	0	0	115.1
150	D	32.8	Very low	40	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	76%	0.763	S	S	*	*			cis	-147.4	-175	2.5	-139	-40.5	0	0	0	113.2
151	A	35.1	Very low	40.7	Very low	72 Å²	72	138.2 Å²	138.2	60%	0.595	77%	0.768	S	S	*	*			trans	-84	165.6	-171.9	0	0	0	0	0	116.6
152	F	34.4	Very low	40.5	Very low	205 Å²	205	137.4 Å²	137.4	90%	0.899	77%	0.767	S	S	*	*				-177	125.2	113.8	-110.7	-77.4	0	0	0	113.9
153	A	41.4	Very low	40.4	Very low	92 Å²	92	136.5 Å²	136.5	76%	0.76	78%	0.775	S	S	*	*			trans	-166.8	142.6	160.7	0	0	0	0	0	109.7
154	P	48	Very low	40.2	Very low	126 Å²	126	137.5 Å²	137.5	82%	0.818	78%	0.781	S	S	*	*				-145.5	-166.4	123	36.5	-19	0	0	0	114.4
155	L	40.3	Very low	40.7	Very low	171 Å²	171	136.4 Å²	136.4	90%	0.895	79%	0.786	S	S	*	*			trans	-105.1	166.5	-158.5	-60.3	165.3	0	0	0	115.3
156	S	39	Very low	40.8	Very low	121 Å²	121	138 Å²	138	85%	0.846	79%	0.789	S	S	*	*			trans	-76	155.5	179.1	-28.1	0	0	0	0	115.4
157	P	49.4	Very low	40.5	Very low	125 Å²	125	132.1 Å²	132.1	81%	0.812	79%	0.789	S	S	*	*			trans	-140.8	158.6	149.4	37.6	-22.2	0	0	0	117.5
158	K	30.5	Very low	39.6	Very low	210 Å²	210	133.6 Å²	133.6	91%	0.913	79%	0.785	S	S	*	*			trans	-13.7	145.7	165.6	-62.2	172.3	176.4	176.1	0	122.4
159	S	38.9	Very low	39.1	Very low	112 Å²	112	135.2 Å²	135.2	78%	0.783	79%	0.793	S	S	*	*			trans	-78.1	167.2	152	34.2	0	0	0	0	112.1
160	P	50.6	Low	38.2	Very low	122 Å²	122	135.4 Å²	135.4	79%	0.792	80%	0.795	S	S	*	*			cis	-132.8	-148.3	46	37.1	-12.2	0	0	0	111.7
161	P	51.9	Low	38	Very low	118 Å²	118	134.1 Å²	134.1	77%	0.766	79%	0.788	S	S	*	*			cis	-143.2	-164.8	4.5	46.4	-24.7	0	0	0	118.7
162	M	32.6	Very low	37.8	Very low	153 Å²	153	138.4 Å²	138.4	75%	0.754	80%	0.796	S	S	*	*			trans	-23.2	149.8	168.6	-68.6	-71.4	-68.3	0	0	122
163	C	33.4	Very low	37.5	Very low	127 Å²	127	131.7 Å²	131.7	86%	0.858	79%	0.785	S	S	*	*			trans	-164.4	140.1	134.5	-119.8	0	0	0	0	113
164	D	32.3	Very low	37.1	Very low	137 Å²	137	135.6 Å²	135.6	73%	0.733	79%	0.787	S	S	*	*			trans	-119.5	163.2	165.6	-81.2	-58.6	0	0	0	108.9
165	P	51.5	Low	36.4	Very low	121 Å²	121	134.2 Å²	134.2	79%	0.786	78%	0.781	S	S	*	*				-150.6	163.5	117.8	35.7	-17.8	0	0	0	118.1
166	H	33.5	Very low	36	Very low	178 Å²	178	134 Å²	134	82%	0.824	78%	0.78	S	S	*	*			trans	-35.3	161	173.1	-51.8	-83.5	0	0	0	119.2
167	G	30.1	Very low	35.6	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	77%	0.773	S	S	*	*			cis	-165.2	-138.7	8.4	0	0	0	0	0	111.3
168	H	33.7	Very low	34.8	Very low	159 Å²	159	131.5 Å²	131.5	74%	0.736	78%	0.776	S	S	*	*			cis	-173.6	159.8	-4.5	-127.8	-76.5	0	0	0	109.8
169	I	29.6	Very low	35	Very low	150 Å²	150	127.7 Å²	127.7	77%	0.769	77%	0.765	S	S	*	*			trans	69.7	139.2	160.7	-67.2	168.4	0	0	0	116.8
170	C	32.3	Very low	34.8	Very low	116 Å²	116	124.4 Å²	124.4	78%	0.784	75%	0.745	S	S	*	*			cis	-175.6	175.4	-14.6	-95.7	0	0	0	0	107.5
171	D	29.3	Very low	33.9	Very low	129 Å²	129	126.7 Å²	126.7	69%	0.69	74%	0.738	S	S	*	*			cis	-171.1	-177.5	-26.1	-179.1	47.7	0	0	0	109.3
172	Q	31.6	Very low	32.9	Very low	162 Å²	162	124.4 Å²	124.4	76%	0.757	72%	0.721	S	S	*	*			trans	73.3	146.3	173.4	-103.2	119.2	98.8	0	0	118.4
173	G	28.2	Very low	32.9	Very low	64 Å²	64	123.9 Å²	123.9	66%	0.66	72%	0.717	S	S	*	*			cis	175.5	156.3	-10.3	0	0	0	0	0	116.5
174	H	33.5	Very low	32.7	Very low	174 Å²	174	124.1 Å²	124.1	81%	0.806	72%	0.715	S	S	*	*			trans	67.1	114.6	151.5	-58.5	-74.3	0	0	0	126.8
175	S	33.3	Very low	32.8	Very low	98 Å²	98	120.9 Å²	120.9	69%	0.685	71%	0.707	S	S	*	*				93.5	133.6	118.9	74	0	0	0	0	126
176	N	31.8	Very low	31.9	Very low	167 Å²	167	122.9 Å²	122.9	89%	0.893	71%	0.711	S	S	*	*			trans	56.8	152.2	145.2	-55.7	-8.7	0	0	0	122.5
177	G	29.1	Very low	31.6	Very low	67 Å²	67	117.2 Å²	117.2	69%	0.691	70%	0.701	S	S	*	*			cis	163.3	156	-10.3	0	0	0	0	0	115
178	S	32.8	Very low	31.6	Very low	125 Å²	125	121 Å²	121	87%	0.874	70%	0.703	S	S	*	*			trans	65.1	157.7	171.1	-79.2	0	0	0	0	119
179	L	34.6	Very low	31.5	Very low	130 Å²	130	123.8 Å²	123.8	68%	0.681	71%	0.706	S	S	*	*			cis	-145.5	-138.3	-19.9	-156	60.6	0	0	0	106.6	Q91	Q91-L179 PolarHBondContact NE2-O 2.86Å; Q91-L179 PolarHBondContact OE1-O 3.16Å
180	A	34.6	Very low	31.4	Very low	43 Å²	43	122.1 Å²	122.1	36%	0.355	70%	0.704	S	S	.	*			cis	-175.7	169.7	-15.6	0	0	0	0	0	105.8	A90 Q91	A90-A180 CarbonylContact C-O 2.94Å; Q91-A180 VanDerWaalsContact CB-C 3.47Å; Q91-A180 WeakPolarHBondContact CB-O 3.13Å; Q91-A180 PolarHBondContact N-O 2.99Å
181	R	31.8	Very low	31.1	Very low	171 Å²	171	121.3 Å²	121.3	65%	0.645	70%	0.699	S	S	*	*			cis	-163.9	165.3	-22.7	-102.2	-155.9	70.1	171.1	1.6	105.7	Q91 E183	Q91-R181 CarbonylContact O-C 3.57Å; Q91-R181 WeakPolarHBondContact O-CA 3.36Å; R181-E183 IonicContact NH2-OE2 3.06Å; R181-E183 PolarHBondContact NH2-OE2 3.28Å
182	T	32.1	Very low	31.1	Very low	69 Å²	69	120 Å²	120	42%	0.423	70%	0.696	S	S	.	*			cis	-173.7	164.5	-30.4	37.3	0	0	0	0	109.7	Q91	Q91-T182 WeakPolarHBondContact O-CA 3.32Å; Q91-T182 PolarHBondContact O-N 2.64Å; Q91-T182 VanDerWaalsContact O-N 3.16Å
183	E	31.6	Very low	30.9	Very low	143 Å²	143	119.9 Å²	119.9	67%	0.668	70%	0.695	S	S	*	*			trans	73.7	116.8	151.3	-79.2	170.8	115.7	0	0	120.5	R181	R181-E183 IonicContact NH2-OE2 3.06Å; R181-E183 PolarHBondContact NH2-OE2 3.28Å
184	T	30.2	Very low	30.9	Very low	131 Å²	131	123.9 Å²	123.9	80%	0.804	70%	0.7	S	S	*	*				78.4	158.1	90.8	70.5	0	0	0	0	115
185	A	34.5	Very low	30.8	Very low	70 Å²	70	123.7 Å²	123.7	58%	0.579	70%	0.704	S	S	*	*			cis	-157	160.7	7.4	0	0	0	0	0	114
186	N	31.7	Very low	30.4	Very low	162 Å²	162	122.3 Å²	122.3	87%	0.866	71%	0.706	S	S	*	*			trans	60.3	156.7	149.4	-53	-26.4	0	0	0	120.3
187	G	28.2	Very low	30.5	Very low	59 Å²	59	120 Å²	120	61%	0.608	70%	0.703	S	S	*	*			cis	-168.1	156.4	-3.3	0	0	0	0	0	110.4
188	I	28.8	Very low	31.5	Very low	152 Å²	152	123.4 Å²	123.4	78%	0.779	71%	0.713	S	S	*	*				63.3	121.7	87.3	-66.3	174.3	0	0	0	112.1
189	R	32	Very low	31.3	Very low	217 Å²	217	120.8 Å²	120.8	82%	0.819	71%	0.706	S	S	*	*			cis	-165.2	173.1	12.2	-125.3	176.9	-162.7	171.7	2.5	113.8
190	T	27.3	Very low	31.2	Very low	116 Å²	116	123.1 Å²	123.1	71%	0.712	71%	0.713	S	S	*	*			trans	-15.2	161.8	150.2	57.3	0	0	0	0	119.9
191	S	27.3	Very low	31.1	Very low	99 Å²	99	129 Å²	129	69%	0.692	74%	0.739	S	S	*	*			cis	-172.6	156.5	21	-132.6	0	0	0	0	117.1
192	T	28.4	Very low	31.1	Very low	100 Å²	100	123.9 Å²	123.9	61%	0.613	74%	0.738	S	S	*	*			trans	51.7	153.1	140	-26.2	0	0	0	0	124.7
193	H	28	Very low	31	Very low	161 Å²	161	126.7 Å²	126.7	75%	0.745	76%	0.759	S	S	*	*			trans	81.2	154.1	160.1	-60.1	-68.8	0	0	0	118.7
194	L	28.5	Very low	30.9	Very low	147 Å²	147	124.6 Å²	124.6	77%	0.77	76%	0.761	S	S	*	*			cis	-163.2	159	-34.8	-114.5	179.3	0	0	0	109.5
195	L	30.9	Very low	31	Very low	170 Å²	170	126.2 Å²	126.2	89%	0.89	77%	0.765	S	S	*	*			trans	38.2	124.7	147.1	-167.1	69.5	0	0	0	121.4
196	G	25.5	Very low	30.7	Very low	70 Å²	70	126.7 Å²	126.7	72%	0.722	78%	0.776	S	S	*	*			trans	-177.2	124.7	162.9	0	0	0	0	0	116.9
197	S	33.2	Very low	30.9	Very low	119 Å²	119	125.2 Å²	125.2	83%	0.832	78%	0.778	S	S	*	*			trans	-156.5	154.8	166.7	-50.1	0	0	0	0	105.9
198	P	49.3	Very low	31.2	Very low	137 Å²	137	128 Å²	128	89%	0.89	79%	0.789	S	S	*	*				-154.6	-159.7	62.8	42.4	-19.9	0	0	0	115.1
199	G	28.8	Very low	31.3	Very low	71 Å²	71	124.7 Å²	124.7	73%	0.732	79%	0.792	S	S	*	*			trans	120.7	100.3	175.9	0	0	0	0	0	111
200	H	32.6	Very low	31.2	Very low	178 Å²	178	118.3 Å²	118.3	82%	0.824	79%	0.794	S	S	*	*			cis	81.8	89.7	22.2	-160.7	-63.5	0	0	0	116.1
201	D	33.6	Very low	31.5	Very low	168 Å²	168	121 Å²	121	90%	0.898	80%	0.799	S	S	*	*			trans	-143.8	164.4	144.7	-101	-39.3	0	0	0	108.4
202	G	30	Very low	31.5	Very low	62 Å²	62	124.1 Å²	124.1	64%	0.639	81%	0.807	S	S	*	*			trans	-150	-159.2	-170.4	0	0	0	0	0	116
203	C	30.7	Very low	31.6	Very low	128 Å²	128	124 Å²	124	87%	0.865	81%	0.81	S	S	*	*			trans	81.6	145.3	179.8	-55.7	0	0	0	0	116.5
204	S	30	Very low	32.7	Very low	100 Å²	100	121.9 Å²	121.9	70%	0.699	81%	0.81	S	S	*	*			cis	-163.9	152.3	-16.7	-101.4	0	0	0	0	112
205	N	31.2	Very low	32.6	Very low	165 Å²	165	123.6 Å²	123.6	88%	0.882	82%	0.819	S	S	*	*			trans	18	129.3	156	-60.8	-11.9	0	0	0	121.8
206	G	28.8	Very low	32.5	Very low	80 Å²	80	123 Å²	123	83%	0.825	82%	0.816	S	S	*	*			trans	-161.3	130.7	153.1	0	0	0	0	0	110.6
207	S	35.9	Very low	32.6	Very low	130 Å²	130	129 Å²	129	91%	0.909	82%	0.818	S	S	*	*			trans	-153.5	121.3	-174.1	-174.3	0	0	0	0	113.9
208	S	34.8	Very low	32.2	Very low	118 Å²	118	131.1 Å²	131.1	83%	0.825	82%	0.815	S	S	*	*			trans	-171.3	142.5	163.8	52.4	0	0	0	0	108.1
209	G	31.6	Very low	31.3	Very low	83 Å²	83	132.1 Å²	132.1	86%	0.856	81%	0.812	S	S	*	*			cis	115.8	81.3	7.8	0	0	0	0	0	110.8
210	G	29	Very low	31.1	Very low	83 Å²	83	134.1 Å²	134.1	86%	0.856	82%	0.815	S	S	*	*			trans	-164.6	120.1	-178.9	0	0	0	0	0	112.3
211	Q	33.7	Very low	30.8	Very low	173 Å²	173	130.7 Å²	130.7	81%	0.808	81%	0.807	S	S	*	*			trans	-134.2	139.6	175.5	-125.6	-82.1	7.2	0	0	105.7
212	L	28	Very low	30.5	Very low	164 Å²	164	132.3 Å²	132.3	86%	0.859	80%	0.802	S	S	*	*			trans	-179.7	147.7	149.9	-102.8	168.3	0	0	0	112.1
213	S	28.4	Very low	30.3	Very low	97 Å²	97	137 Å²	137	68%	0.678	81%	0.807	S	S	*	*			trans	-151.9	179.4	173.3	-61.7	0	0	0	0	107.1
214	P	51.8	Low	30.4	Very low	117 Å²	117	136.4 Å²	136.4	76%	0.76	80%	0.8	S	S	*	*			cis	-121	177	-45.1	37.3	-24.6	0	0	0	111.1
215	L	26.8	Very low	30.8	Very low	182 Å²	182	137.1 Å²	137.1	95%	0.953	80%	0.802	S	S	*	*			trans	-146.5	174.8	157.1	-105.5	-179.5	0	0	0	112.6
216	L	28.9	Very low	30.9	Very low	157 Å²	157	136.5 Å²	136.5	82%	0.822	80%	0.798	S	S	*	*			trans	-129.2	178	-157.4	-121.7	171.6	0	0	0	112.6
217	Y	27.2	Very low	31.6	Very low	197 Å²	197	139 Å²	139	77%	0.773	80%	0.8	S	S	*	*			trans	73.2	150.8	179	-106.2	-131.4	0	0	0	115.1
218	E	24.9	Very low	31.4	Very low	164 Å²	164	137.6 Å²	137.6	77%	0.766	80%	0.797	S	S	*	*			cis	-145.6	173.6	3.9	-166.6	164.1	177.6	0	0	111
219	L	29.7	Very low	31.3	Very low	157 Å²	157	137.5 Å²	137.5	82%	0.822	80%	0.796	S	S	*	*			trans	-128.8	120.1	-177.4	178.1	73.1	0	0	0	113.1
220	S	25.5	Very low	32.1	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	79%	0.792	S	S	*	*			trans	-174.9	167.4	157.5	-91.3	0	0	0	0	112.3
221	T	25.8	Very low	32.2	Very low	107 Å²	107	141.7 Å²	141.7	66%	0.656	79%	0.79	S	S	*	*			cis	-169.8	167.3	-35.5	-69.6	0	0	0	0	105.8
222	Y	27.6	Very low	32.3	Very low	202 Å²	202	138.6 Å²	138.6	79%	0.792	79%	0.788	S	S	*	*			trans	73.8	157.4	177.1	-69.3	-97.7	0	0	0	117.2
223	E	25.8	Very low	33.8	Very low	159 Å²	159	136.5 Å²	136.5	74%	0.743	78%	0.784	S	S	*	*			cis	-162.8	157.3	-41.7	-164.4	-177.8	148.4	0	0	108.5
224	T	33.8	Very low	34.6	Very low	117 Å²	117	137.8 Å²	137.8	72%	0.718	79%	0.79	S	S	*	*			trans	-87.1	147.4	175.3	-44	0	0	0	0	112.3
225	P	38.4	Very low	33.5	Very low	115 Å²	115	135.3 Å²	135.3	75%	0.747	79%	0.786	S	S	*	*			trans	-130.5	140.2	147.7	35.4	-23.9	0	0	0	114.8
226	N	31.9	Very low	34.9	Very low	151 Å²	151	132 Å²	132	81%	0.807	78%	0.776	S	S	*	*			trans	-86.9	169	158.2	-80	-44.7	0	0	0	110
227	P	44.8	Very low	34.9	Very low	134 Å²	134	134.1 Å²	134.1	87%	0.87	78%	0.779	S	S	*	*				-140.5	177.3	115.7	37.5	-25.1	0	0	0	114.4
228	A	30.3	Very low	35.1	Very low	100 Å²	100	130 Å²	130	83%	0.826	78%	0.778	S	S	*	*			trans	-127.4	179.5	-175	0	0	0	0	0	113.8
229	S	33.3	Very low	36.4	Very low	116 Å²	116	127.4 Å²	127.4	81%	0.811	78%	0.776	S	S	*	*			trans	-80.2	164.3	-160	-33.2	0	0	0	0	118.5
230	P	48.9	Very low	37.4	Very low	119 Å²	119	125.4 Å²	125.4	77%	0.773	77%	0.772	S	S	*	*			trans	-135.2	178.5	135.1	38.4	-26.4	0	0	0	112.7
231	T	31.3	Very low	37.8	Very low	134 Å²	134	127.1 Å²	127.1	82%	0.822	77%	0.768	S	S	*	*			cis	-167	152.9	-37.1	-76.9	0	0	0	0	108.3
232	S	34.4	Very low	38.2	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	77%	0.771	S	S	*	*			trans	-82.3	-160	178.2	-30.6	0	0	0	0	112.9
233	P	61.4	Low	38.6	Very low	120 Å²	120	124.9 Å²	124.9	78%	0.779	76%	0.764	S	S	*	*			cis	-114.5	-137.9	14.6	45	-26.7	0	0	0	110.4
234	P	44.8	Very low	38.7	Very low	124 Å²	124	124.9 Å²	124.9	81%	0.805	76%	0.764	S	S	*	*			cis	-126.9	-163.8	0.4	44.5	-26.5	0	0	0	115.5
235	G	29	Very low	38.6	Very low	66 Å²	66	126 Å²	126	68%	0.68	76%	0.762	S	S	*	*			trans	-128.4	-142.3	163.2	0	0	0	0	0	110
236	P	54.9	Low	38.2	Very low	112 Å²	112	129.3 Å²	129.3	73%	0.727	77%	0.768	S	S	*	*			cis	-134.7	-172.3	-0.1	44	-27.5	0	0	0	114.5
237	F	29.1	Very low	38.2	Very low	202 Å²	202	130.4 Å²	130.4	89%	0.886	77%	0.768	S	S	*	*			trans	178.4	157	138.9	-93.3	-59.6	0	0	0	112.4
238	S	30.7	Very low	38.4	Very low	109 Å²	109	129.5 Å²	129.5	76%	0.762	76%	0.762	S	S	*	*			trans	-155.8	-174.5	-174.7	-44.1	0	0	0	0	110.1
239	P	54	Low	38.3	Very low	111 Å²	111	128.3 Å²	128.3	72%	0.721	76%	0.76	S	S	*	*			cis	-111.9	-121.8	-14	43.5	-26.6	0	0	0	109.7
240	P	50.8	Low	38.1	Very low	115 Å²	115	131.9 Å²	131.9	75%	0.747	76%	0.764	S	S	*	*			cis	-106.5	-176.9	-9.9	39.3	-24.8	0	0	0	113.4
241	H	33.3	Very low	36.9	Very low	149 Å²	149	130.2 Å²	130.2	69%	0.69	76%	0.76	S	S	*	*			cis	108.1	132.5	1.7	-89.7	-118.2	0	0	0	120.6
242	H	33.6	Very low	36.8	Very low	158 Å²	158	129 Å²	129	73%	0.731	75%	0.753	S	S	*	*			trans	76.1	152.2	153.9	-68.4	-49.1	0	0	0	122.5
243	T	35.5	Very low	36.6	Very low	103 Å²	103	131.1 Å²	131.1	63%	0.632	75%	0.751	S	S	*	*			cis	-176.3	148.1	-31.2	-105.5	0	0	0	0	113.7
244	E	29.5	Very low	35.1	Very low	159 Å²	159	135.2 Å²	135.2	74%	0.743	75%	0.751	S	S	*	*			trans	87.2	152	152.3	-103.9	167.1	79.4	0	0	128.1
245	M	30.7	Very low	34.2	Very low	140 Å²	140	135.8 Å²	135.8	69%	0.69	75%	0.747	S	S	*	*			trans	71.6	106.5	154.5	-67.9	-60.2	-179.8	0	0	125.6
246	Q	30.1	Very low	34.5	Very low	186 Å²	186	140.4 Å²	140.4	87%	0.869	75%	0.754	S	S	*	*				77.4	143.2	122	-145.9	158.2	23.4	0	0	123.1
247	E	32.6	Very low	33.2	Very low	174 Å²	174	138 Å²	138	81%	0.813	75%	0.75	S	S	*	*			trans	-96.2	178.2	177.2	-119.2	-140.2	125.3	0	0	111.9
248	P	49.1	Very low	33.4	Very low	114 Å²	114	136 Å²	136	74%	0.74	75%	0.747	S	S	*	*			cis	-128.2	178.1	-4.5	42.2	-27.8	0	0	0	114.3
249	G	27.9	Very low	33.4	Very low	76 Å²	76	139.3 Å²	139.3	78%	0.784	75%	0.751	S	S	*	*			trans	174.7	152.3	167.6	0	0	0	0	0	119.5
250	E	27.7	Very low	32.3	Very low	191 Å²	191	139.2 Å²	139.2	89%	0.893	75%	0.753	S	S	*	*			trans	-47.2	143.7	-174.1	-72.5	170	89.7	0	0	122.1
251	A	25.5	Very low	31.8	Very low	84 Å²	84	139 Å²	139	69%	0.694	75%	0.754	S	S	*	*				60.1	146.6	122.9	0	0	0	0	0	125.1
252	T	29.1	Very low	32.6	Very low	109 Å²	109	137.7 Å²	137.7	67%	0.669	76%	0.759	S	S	*	*			trans	59.4	104.9	143.4	-65	0	0	0	0	118
253	E	28.6	Very low	33.6	Very low	152 Å²	152	136.1 Å²	136.1	71%	0.71	76%	0.763	S	S	*	*				128.8	-171.8	61.6	-174.9	159.2	171.6	0	0	107
254	W	29.7	Very low	33.5	Very low	205 Å²	205	139.8 Å²	139.8	78%	0.777	77%	0.773	S	S	*	*			trans	76.1	137	178.7	-39.6	100.9	0	0	0	114.5
255	D	26.1	Very low	33.5	Very low	137 Å²	137	144 Å²	144	73%	0.733	78%	0.782	S	S	*	*			cis	-149.7	163.1	3.5	-146	-35.7	0	0	0	112.1
256	I	36	Very low	33.8	Very low	162 Å²	162	142.2 Å²	142.2	83%	0.831	78%	0.783	S	S	*	*			trans	-142.2	132.2	176.9	-60.8	179	0	0	0	110.9
257	G	28.3	Very low	34	Very low	61 Å²	61	138 Å²	138	63%	0.629	78%	0.78	S	S	*	*			trans	-130.8	155.6	159.8	0	0	0	0	0	110.8
258	L	33.4	Very low	33.9	Very low	160 Å²	160	136.7 Å²	136.7	84%	0.838	78%	0.784	S	S	*	*			cis	-148	148.9	10	-74.8	169.5	0	0	0	111.3
259	E	29.8	Very low	33.2	Very low	180 Å²	180	139.4 Å²	139.4	84%	0.841	79%	0.787	S	S	*	*				56.3	138.9	128.7	-158.1	160.3	114.2	0	0	120.6
260	S	31.8	Very low	33.2	Very low	109 Å²	109	144.4 Å²	144.4	76%	0.762	79%	0.79	S	S	*	*			cis	-148.3	163.7	12.1	35.9	0	0	0	0	113.3
261	S	40.4	Very low	33.4	Very low	111 Å²	111	139.9 Å²	139.9	78%	0.776	79%	0.785	S	S	*	*			trans	-84.2	179.2	175.9	-38.8	0	0	0	0	113.3
262	P	50	Low	33.6	Very low	121 Å²	121	142.1 Å²	142.1	79%	0.786	79%	0.791	S	S	*	*				-151.1	-165.3	71.9	41	-18.8	0	0	0	114.4
263	P	54.2	Low	33.8	Very low	125 Å²	125	142 Å²	142	81%	0.812	79%	0.794	S	S	*	*				-126.7	-177.4	-68.8	40.4	-25.1	0	0	0	114.1
264	E	32.7	Very low	34	Very low	180 Å²	180	139.4 Å²	139.4	84%	0.841	79%	0.793	S	S	*	*			trans	-94.2	166.9	-170.4	-49.8	174.1	94.5	0	0	117.2
265	R	29.8	Very low	34.1	Very low	246 Å²	246	137.5 Å²	137.5	93%	0.928	80%	0.798	S	S	*	*			trans	177.1	158.4	130.1	-98.9	167.7	-175.3	-108	0.8	111
266	S	37.3	Very low	34.3	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	80%	0.797	S	S	*	*			cis	-169.2	158.3	-39.6	-85.1	0	0	0	0	107.3
267	A	34.9	Very low	34.1	Very low	97 Å²	97	135.5 Å²	135.5	80%	0.802	80%	0.804	S	S	*	*			trans	-71.2	166.8	-169.3	0	0	0	0	0	117.2
268	T	30.5	Very low	34.2	Very low	147 Å²	147	137.1 Å²	137.1	90%	0.902	81%	0.812	S	S	*	*			trans	-158.7	168.5	147.9	-72.4	0	0	0	0	109.7
269	Q	33.3	Very low	34	Very low	171 Å²	171	133.8 Å²	133.8	80%	0.799	80%	0.802	S	S	*	*			trans	-115.9	-171.9	-159.3	-56.4	172.2	-8.1	0	0	114.7
270	Q	29	Very low	34	Very low	181 Å²	181	136.5 Å²	136.5	85%	0.846	80%	0.804	S	S	*	*			trans	81.9	124.5	171.7	-54.3	178.5	-5.1	0	0	114.6
271	A	31	Very low	33.7	Very low	95 Å²	95	139 Å²	139	79%	0.785	80%	0.804	S	S	*	*			cis	86.6	135.7	40.9	0	0	0	0	0	113.4
272	T	29.1	Very low	33.4	Very low	132 Å²	132	142 Å²	142	81%	0.81	80%	0.803	S	S	*	*			cis	-103	-134.9	-0.4	46.8	0	0	0	0	110.7
273	S	33.1	Very low	32.6	Very low	106 Å²	106	142.7 Å²	142.7	74%	0.741	81%	0.805	S	S	*	*			cis	-164.9	170.1	-7.2	7.3	0	0	0	0	107.7
274	S	33.1	Very low	32.5	Very low	97 Å²	97	141.9 Å²	141.9	68%	0.678	80%	0.8	S	S	*	*			cis	-153.7	152	-8.4	50.7	0	0	0	0	110.2
275	N	32.4	Very low	32.4	Very low	165 Å²	165	138.7 Å²	138.7	88%	0.882	80%	0.798	S	S	*	*			trans	53.1	133.4	158.6	-52.5	-8.9	0	0	0	120.4
276	G	30.3	Very low	32.8	Very low	70 Å²	70	131.6 Å²	131.6	72%	0.722	79%	0.786	S	S	*	*			cis	166	120.3	-8	0	0	0	0	0	115
277	L	32	Very low	32.3	Very low	187 Å²	187	133.1 Å²	133.1	98%	0.979	79%	0.786	S	S	*	*			trans	66.5	171.5	160	-61.4	175.4	0	0	0	119
278	A	30.5	Very low	32.2	Very low	96 Å²	96	131.5 Å²	131.5	79%	0.793	78%	0.779	S	S	*	*			trans	-158.1	172.1	-160.2	0	0	0	0	0	113.6
279	S	28.5	Very low	32.4	Very low	89 Å²	89	131.9 Å²	131.9	62%	0.622	77%	0.77	S	S	*	*			trans	84.8	146.1	160.7	-144.8	0	0	0	0	119.9
280	W	29.7	Very low	32.7	Very low	237 Å²	237	134 Å²	134	90%	0.898	77%	0.77	S	S	*	*			trans	28.3	131.1	164.5	-58.8	-47	0	0	0	122.5
281	E	25.3	Very low	33.1	Very low	162 Å²	162	132.1 Å²	132.1	76%	0.757	77%	0.765	S	S	*	*				-165.7	-162.5	110.7	-93	-122.2	82.2	0	0	111.9
282	K	34.5	Very low	33.3	Very low	175 Å²	175	136 Å²	136	76%	0.761	77%	0.765	S	S	*	*			trans	-102.9	168.3	-150.2	-51.9	178	-173.5	86.5	0	116.6
283	T	33.2	Very low	33.4	Very low	134 Å²	134	135.3 Å²	135.3	82%	0.822	77%	0.765	S	S	*	*			trans	-59.8	172.6	159.8	27	0	0	0	0	113.4
284	P	52.9	Low	33.2	Very low	108 Å²	108	134.1 Å²	134.1	70%	0.701	77%	0.77	S	S	*	*			cis	-148.8	-169.2	29.9	43.2	-21.3	0	0	0	119.2
285	S	31.1	Very low	33	Very low	114 Å²	114	133.2 Å²	133.2	80%	0.797	78%	0.776	S	S	*	*			trans	79.3	148.1	153.2	-63	0	0	0	0	120.3
286	S	36.6	Very low	33.1	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	77%	0.769	S	S	*	*			cis	-164.3	166	-17.5	-173.6	0	0	0	0	111.8
287	N	28.4	Very low	33.1	Very low	137 Å²	137	139.6 Å²	139.6	73%	0.733	77%	0.772	S	S	*	*			trans	72.9	133.8	172.6	-51.3	-1.7	0	0	0	116
288	G	32.3	Very low	34.3	Very low	63 Å²	63	135.7 Å²	135.7	65%	0.649	76%	0.758	S	S	*	*			cis	148.1	156.5	-4.5	0	0	0	0	0	113
289	H	35	Very low	34.4	Very low	154 Å²	154	135.8 Å²	135.8	71%	0.713	76%	0.759	S	S	*	*			cis	-162	161	-12.8	-40.6	-97.8	0	0	0	110.4
290	R	39.6	Very low	34.6	Very low	216 Å²	216	140.9 Å²	140.9	82%	0.815	77%	0.77	S	S	*	*			trans	70.3	144.7	154.8	-72.8	-170.9	-156	-91.4	1.8	119.7
291	L	36.6	Very low	34.9	Very low	142 Å²	142	139.1 Å²	139.1	74%	0.743	77%	0.768	S	S	*	*			cis	-138	164.7	-1.9	-83.9	120.8	0	0	0	113.1
292	F	34.1	Very low	35.3	Very low	177 Å²	177	142.5 Å²	142.5	78%	0.776	77%	0.774	S	S	*	*			trans	-53	172.4	179.1	-49.1	-91.4	0	0	0	117.5
293	S	31.3	Very low	35	Very low	116 Å²	116	140.9 Å²	140.9	81%	0.811	77%	0.773	S	S	*	*			cis	-140.8	168.6	19.4	-59.8	0	0	0	0	111.7
294	G	28.8	Very low	34.9	Very low	81 Å²	81	141.6 Å²	141.6	84%	0.835	77%	0.771	S	S	*	*			cis	98.9	130.5	15.5	0	0	0	0	0	111.7
295	G	29.9	Very low	34.2	Very low	79 Å²	79	141.8 Å²	141.8	81%	0.814	77%	0.774	S	S	*	*			cis	-166.4	-170	3	0	0	0	0	0	111.5
296	H	34.7	Very low	34.6	Very low	157 Å²	157	142.5 Å²	142.5	73%	0.727	78%	0.776	S	S	*	*			trans	-147.6	151.4	-159.6	-152	-122.5	0	0	0	115.1
297	W	29.1	Very low	34.4	Very low	211 Å²	211	142.5 Å²	142.5	80%	0.799	78%	0.776	S	S	*	*			trans	67.7	174	161.4	-99.6	-148.3	0	0	0	118.4
298	P	58.7	Low	34.4	Very low	106 Å²	106	143 Å²	143	69%	0.688	78%	0.779	S	S	*	*			cis	-143	155.2	-33.4	36.7	-18	0	0	0	118.5
299	A	31.2	Very low	34.4	Very low	97 Å²	97	146.4 Å²	146.4	80%	0.802	79%	0.787	S	S	*	*			trans	52.3	139.2	135.4	0	0	0	0	0	126.9
300	K	32.8	Very low	34.3	Very low	197 Å²	197	143 Å²	143	86%	0.857	79%	0.786	S	S	*	*			trans	88.6	99.4	136.7	-121	179.5	-170.6	174.9	0	121.5
301	K	35.8	Very low	34	Very low	199 Å²	199	140 Å²	140	87%	0.865	79%	0.786	S	S	*	*				166.7	130.6	116.4	-91.2	168.7	-177.3	176.1	0	115.7
302	R	34.8	Very low	34.3	Very low	233 Å²	233	138.4 Å²	138.4	88%	0.879	79%	0.787	S	S	*	*			trans	34.2	145.7	143.5	-82.1	-172.5	177.9	-179.6	-0.1	124.7
303	L	27.9	Very low	34.1	Very low	141 Å²	141	136 Å²	136	74%	0.738	79%	0.791	S	S	*	*			trans	94.4	118.6	148.4	-103.9	77.1	0	0	0	120.9
304	I	30.5	Very low	34.3	Very low	150 Å²	150	135.4 Å²	135.4	77%	0.769	79%	0.786	S	S	*	*			trans	48.2	128	141.1	-57.8	166.8	0	0	0	120.5
305	S	39	Very low	34.7	Very low	111 Å²	111	140.4 Å²	140.4	78%	0.776	79%	0.788	S	S	*	*			trans	-87.5	151.9	169.6	-36.6	0	0	0	0	113.8
306	P	40.5	Very low	34.9	Very low	129 Å²	129	144.1 Å²	144.1	84%	0.838	79%	0.789	S	S	*	*			trans	-127.8	-172.3	142.9	37.4	-25.2	0	0	0	112.8
307	S	30.6	Very low	35.1	Very low	96 Å²	96	144.6 Å²	144.6	67%	0.671	79%	0.792	S	S	*	*			trans	-102.1	171.4	-159.2	-43.1	0	0	0	0	116.4
308	D	29.9	Very low	35.4	Very low	147 Å²	147	137.9 Å²	137.9	79%	0.786	79%	0.788	S	S	*	*			trans	67.2	155.8	156.1	-46.9	-42.3	0	0	0	117.1
309	T	32.5	Very low	35.2	Very low	135 Å²	135	138.2 Å²	138.2	83%	0.828	79%	0.791	S	S	*	*			cis	-151.5	170.4	19	-37.6	0	0	0	0	111.6
310	A	31.7	Very low	35.4	Very low	84 Å²	84	139.2 Å²	139.2	69%	0.694	79%	0.791	S	S	*	*			trans	81.1	149.4	163.7	0	0	0	0	0	116.9
311	D	32.8	Very low	35.4	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	79%	0.786	S	S	*	*			cis	-150.8	167.7	21.4	-135.3	-37.7	0	0	0	115.9
312	S	42.9	Very low	35.4	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	77%	0.774	S	S	*	*			trans	76.1	144.8	164	-65.1	0	0	0	0	122
313	C	31.1	Very low	35.6	Very low	128 Å²	128	128.2 Å²	128.2	87%	0.865	77%	0.771	S	S	*	*			trans	-140.9	155.2	-164.3	-55.3	0	0	0	0	114.7
314	S	35.3	Very low	36	Very low	102 Å²	102	132.5 Å²	132.5	71%	0.713	78%	0.778	S	S	*	*			trans	-177.1	118.9	145.1	57.2	0	0	0	0	107.2
315	E	37.9	Very low	35.9	Very low	186 Å²	186	129.9 Å²	129.9	87%	0.869	77%	0.772	S	S	*	*				62.6	127.6	78.4	-63.8	175	121	0	0	111.4
316	D	33.9	Very low	35.8	Very low	157 Å²	157	135.5 Å²	135.5	84%	0.84	78%	0.777	S	S	*	*			cis	-150.1	-171.4	48.5	-170.3	24.2	0	0	0	115
317	E	38.3	Very low	35.3	Very low	167 Å²	167	136.2 Å²	136.2	78%	0.78	77%	0.773	S	S	*	*			trans	-61.8	167.4	-163.6	-80.1	-147.8	80.5	0	0	121.9
318	G	35.6	Very low	35.4	Very low	70 Å²	70	136.2 Å²	136.2	72%	0.722	77%	0.773	S	S	*	*			trans	-98.6	-121.2	158.6	0	0	0	0	0	111.5
319	P	54.1	Low	35.6	Very low	114 Å²	114	137 Å²	137	74%	0.74	78%	0.776	S	S	*	*			cis	-130.5	162	-39	38.9	-26.8	0	0	0	112.6
320	S	35.5	Very low	35.6	Very low	117 Å²	117	137.8 Å²	137.8	82%	0.818	77%	0.774	S	S	*	*			trans	-156.6	154.6	159.6	-152.4	0	0	0	0	118.2
321	T	33.2	Very low	35.5	Very low	122 Å²	122	139.3 Å²	139.3	75%	0.748	78%	0.775	S	S	*	*			trans	-68.1	-178.4	-176.1	72.7	0	0	0	0	115.1
322	S	36.4	Very low	35.3	Very low	86 Å²	86	138 Å²	138	60%	0.601	78%	0.778	S	S	*	*			cis	-166.3	159.3	14.2	-134.3	0	0	0	0	113.8
323	K	37.3	Very low	34.6	Very low	191 Å²	191	136.2 Å²	136.2	83%	0.83	78%	0.777	S	S	*	*			trans	27.2	152.1	133.5	-70.5	167.3	-172.6	166	0	121.4
324	R	37.5	Very low	34.5	Very low	231 Å²	231	137.4 Å²	137.4	87%	0.872	78%	0.779	S	S	*	*			cis	-180	162.7	0.1	163.3	-173.6	179	-149.8	3.7	111.5
325	S	28	Very low	34.3	Very low	94 Å²	94	138.6 Å²	138.6	66%	0.657	78%	0.783	S	S	*	*			trans	89.6	137.1	160.7	-141.8	0	0	0	0	117.7
326	R	37.7	Very low	33.9	Very low	229 Å²	229	135.9 Å²	135.9	86%	0.864	78%	0.784	S	S	*	*			cis	102.5	143.5	5	-151.9	-179.6	-163.4	-139.4	4.6	117.2
327	L	28.4	Very low	33.7	Very low	144 Å²	144	133.7 Å²	133.7	75%	0.754	78%	0.78	S	S	*	*			trans	84.7	130.8	-173.4	-70.5	93.2	0	0	0	115.7
328	S	34	Very low	33.7	Very low	96 Å²	96	136.4 Å²	136.4	67%	0.671	78%	0.783	S	S	*	*			cis	102.2	110.7	-0.6	88.9	0	0	0	0	120.1
329	L	32.6	Very low	33.6	Very low	165 Å²	165	138.2 Å²	138.2	86%	0.864	79%	0.785	S	S	*	*			trans	-156.6	159	155.2	-71.3	-179	0	0	0	108.9
330	L	32.3	Very low	33	Very low	150 Å²	150	138.2 Å²	138.2	79%	0.785	78%	0.783	S	S	*	*				-153.3	158.7	-50.8	-115.5	-175.4	0	0	0	109.1
331	T	30.3	Very low	33.1	Very low	117 Å²	117	138.2 Å²	138.2	72%	0.718	77%	0.773	S	S	*	*			trans	-30.9	140.5	177.4	-178.6	0	0	0	0	120.3
332	S	29.2	Very low	33.3	Very low	124 Å²	124	136.2 Å²	136.2	87%	0.867	77%	0.77	S	S	*	*				-165.1	150.2	120.5	-79.3	0	0	0	0	110.5
333	G	26.9	Very low	33.3	Very low	71 Å²	71	141.7 Å²	141.7	73%	0.732	78%	0.783	S	S	*	*			trans	-147.1	159	-179.8	0	0	0	0	0	113.2
334	V	30.6	Very low	33.3	Very low	152 Å²	152	136.5 Å²	136.5	92%	0.921	78%	0.775	S	S	*	*			trans	-145.1	147.5	166.9	-106.9	0	0	0	0	109.3
335	T	29.6	Very low	33.4	Very low	128 Å²	128	128 Å²	128	79%	0.785	75%	0.754	S	S	*	*			trans	-82.3	153	-179.4	45.3	0	0	0	0	111.9
336	S	30.6	Very low	34.5	Very low	128 Å²	128	126.9 Å²	126.9	90%	0.895	75%	0.745	S	S	*	*			trans	-138.1	134	148.4	-171.2	0	0	0	0	108.1
337	C	30.2	Very low	35.2	Very low	112 Å²	112	119.3 Å²	119.3	76%	0.757	72%	0.717	S	S	*	*			trans	-99.5	163.9	-161.1	-73.7	0	0	0	0	113.8
338	R	37	Very low	36.3	Very low	224 Å²	224	114.8 Å²	114.8	85%	0.845	69%	0.69	S	S	*	*			trans	-64.5	141.7	-177.2	-50.8	157.7	78	-150.5	11.1	111.9
339	S	34	Very low	37.4	Very low	108 Å²	108	114.2 Å²	114.2	76%	0.755	68%	0.679	S	S	*	*			trans	-145.8	122.9	136	-76.1	0	0	0	0	106
340	T	42.4	Very low	38.7	Very low	114 Å²	114	113.8 Å²	113.8	70%	0.699	67%	0.672	S	S	*	*				52.2	117.2	64.8	69.6	0	0	0	0	111.4
341	D	35.8	Very low	39.9	Very low	116 Å²	116	108.9 Å²	108.9	62%	0.62	65%	0.647	S	S	*	*			cis	-116.6	150.6	30.1	-175.8	46.3	0	0	0	116	K343 A344	D341-K343 VanDerWaalsContact OD1-CB 3.25Å; D341-K343 WeakPolarHBondContact OD1-CB 3.43Å; D341-K343 PolarHBondContact OD1-N 2.96Å; D341-K343 PolarHBondContact OD2-N 2.83Å; D341-A344 PolarHBondContact OD2-N 2.94Å
342	A	38.5	Very low	41.1	Very low	81 Å²	81	106.3 Å²	106.3	67%	0.669	63%	0.628	S	S	*	*			trans	-143.4	9.6	162.4	0	0	0	0	0	112.2
343	K	37.1	Very low	41.6	Very low	201 Å²	201	105.4 Å²	105.4	87%	0.874	62%	0.619	S	S	*	*	S	Bend	trans	-84.9	-17.6	-172.7	-155.8	178	-178.2	-174.3	0	112.3	D341	D341-K343 VanDerWaalsContact OD1-CB 3.25Å; D341-K343 WeakPolarHBondContact OD1-CB 3.43Å; D341-K343 PolarHBondContact OD1-N 2.96Å; D341-K343 PolarHBondContact OD2-N 2.83Å
344	A	37.3	Very low	42.2	Very low	81 Å²	81	106.7 Å²	106.7	67%	0.669	62%	0.617	S	S	*	*	S	Bend	trans	-84.4	-11.6	171.3	0	0	0	0	0	114.3	D341 P346	D341-A344 PolarHBondContact OD2-N 2.94Å; A344-P346 WeakPolarHBondContact O-CD 3.32Å
345	A	39.1	Very low	42.8	Very low	52 Å²	52	106.7 Å²	106.7	43%	0.43	62%	0.617	S	S	.	*	S	Bend	trans	-78.6	118.2	179.5	0	0	0	0	0	110.7	Y347	A345-Y347 PolarHBondContact O-N 2.57Å
346	P	50.2	Low	43.4	Very low	71 Å²	71	110.1 Å²	110.1	46%	0.461	62%	0.616	S	S	.	*			trans	-61.7	129.4	175.8	23.3	-32.4	0	0	0	110.3	A344 W348 N349	A344-P346 WeakPolarHBondContact O-CD 3.32Å; P346-W348 PolarHBondContact O-N 2.96Å; P346-N349 PolarHBondContact O-N 3.15Å; P346-N349 PolarHBondContact O-ND2 2.99Å; P346-N349 VanDerWaalsContact O-ND2 3.09Å
347	Y	52.4	Low	43.4	Very low	70 Å²	70	110.4 Å²	110.4	28%	0.275	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-44.5	-32.6	-174.4	137.5	-88.2	0	0	0	114.2	A345 N349 H350 L351 N493	A345-Y347 PolarHBondContact O-N 2.57Å; Y347-N349 PolarHBondContact O-N 3.11Å; Y347-H350 PolarHBondContact O-CD2 3.07Å; Y347-H350 PolarHBondContact O-N 3.35Å; Y347-H350 VanDerWaalsContact O-N 3.11Å; Y347-L351 HydrophobicContact CE1-CD1 4.33Å; Y347-N493 WeakPolarHBondContact CE2-ND2 3.31Å; Y347-N493 PolarHBondContact OH-OD1 2.89Å
348	W	52.7	Low	43.6	Very low	50 Å²	50	114.1 Å²	114.1	19%	0.189	61%	0.613	C	S	.	*	G	3₁₀ helix	trans	-51.8	-22	176.8	-62.7	115.1	0	0	0	116.2	P346 H350 L351 F428 N491 V497 R577	P346-W348 PolarHBondContact O-N 2.96Å; W348-H350 PolarHBondContact O-N 3.04Å; W348-L351 HydrophobicContact CE3-CD1 3.78Å; W348-L351 HydrophobicContact CZ3-CD1 3.85Å; W348-L351 PolarHBondContact O-N 3.1Å; W348-L351 VanDerWaalsContact O-N 3.1Å; W348-F428 AromaticContact CH2-CE1 3.74Å; W348-F428 HydrophobicContact CH2-CE1 3.74Å; W348-F428 AromaticContact CH2-CZ 3.53Å; W348-F428 HydrophobicContact CH2-CZ 3.53Å; W348-F428 HydrophobicContact CZ3-CE1 4.06Å; W348-F428 HydrophobicContact CZ3-CE2 4.02Å; W348-F428 AromaticContact CZ3-CZ 3.36Å; W348-F428 HydrophobicContact CZ3-CZ 3.36Å; W348-N491 HydrophobicContact CH2-CB 3.23Å; W348-N491 HydrophobicContact CZ2-CB 3.89Å; W348-N491 HydrophobicContact CZ3-CB 3.92Å; W348-V497 HydrophobicContact CH2-CG2 3.88Å; W348-V497 HydrophobicContact CZ2-CG1 4.47Å; W348-V497 HydrophobicContact CZ2-CG2 3.88Å; W348-R577 HydrophobicContact CB-CG 4.36Å
349	N	56.9	Low	43.3	Very low	84 Å²	84	109.2 Å²	109.2	45%	0.449	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-61.9	-28.5	176.4	-71.7	-44.2	0	0	0	112.8	P346 Y347 L351	P346-N349 PolarHBondContact O-N 3.15Å; P346-N349 PolarHBondContact O-ND2 2.99Å; P346-N349 VanDerWaalsContact O-ND2 3.09Å; Y347-N349 PolarHBondContact O-N 3.11Å; N349-L351 VanDerWaalsContact C-N 3.27Å; N349-L351 PolarHBondContact O-N 3.46Å
350	H	59.6	Low	43.2	Very low	156 Å²	156	113.5 Å²	113.5	72%	0.722	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-78.8	-7.4	176.5	-57.4	-66.7	0	0	0	113.7	Y347 W348 L352	Y347-H350 PolarHBondContact O-CD2 3.07Å; Y347-H350 PolarHBondContact O-N 3.35Å; Y347-H350 VanDerWaalsContact O-N 3.11Å; W348-H350 PolarHBondContact O-N 3.04Å; H350-L352 VanDerWaalsContact C-N 3.33Å
351	L	56.8	Low	42.7	Very low	47 Å²	47	114.7 Å²	114.7	25%	0.246	62%	0.623	C	S	.	*	G	3₁₀ helix	trans	-98	28.9	174.2	-53.1	-167	0	0	0	112.3	Y347 W348 N349 I425 P492	Y347-L351 HydrophobicContact CE1-CD1 4.33Å; W348-L351 HydrophobicContact CE3-CD1 3.78Å; W348-L351 HydrophobicContact CZ3-CD1 3.85Å; W348-L351 PolarHBondContact O-N 3.1Å; W348-L351 VanDerWaalsContact O-N 3.1Å; N349-L351 VanDerWaalsContact C-N 3.27Å; N349-L351 PolarHBondContact O-N 3.46Å; L351-I425 HydrophobicContact CB-CG2 4.1Å; L351-I425 HydrophobicContact CD1-CG2 4.02Å; L351-P492 HydrophobicContact CD1-CG 3.91Å
352	L	55.5	Low	42.5	Very low	62 Å²	62	113.7 Å²	113.7	33%	0.325	63%	0.631	S	S	.	*	S	Bend	trans	-121.9	146.4	170.4	-82.6	-179.8	0	0	0	110.5	H350 S354 Y451 R577	H350-L352 VanDerWaalsContact C-N 3.33Å; L352-S354 PolarHBondContact O-N 2.92Å; L352-Y451 HydrophobicContact CD2-CD1 4.47Å; L352-Y451 HydrophobicContact CD2-CE1 3.79Å; L352-Y451 HydrophobicContact CD2-CE2 4.1Å; L352-R577 VanDerWaalsContact CG-NH2 3.34Å
353	P	41	Very low	42.4	Very low	105 Å²	105	118 Å²	118	68%	0.682	64%	0.641	S	S	*	*			trans	-60.1	115.2	157.8	-17.5	31.4	0	0	0	109.3
354	S	38.3	Very low	42.1	Very low	98 Å²	98	112 Å²	112	69%	0.685	64%	0.636	S	S	*	*			trans	-74.4	127.4	177.9	53.9	0	0	0	0	111	L352 R356	L352-S354 PolarHBondContact O-N 2.92Å; S354-R356 PolarHBondContact O-N 3.29Å
355	T	43.1	Very low	41.7	Very low	152 Å²	152	114.4 Å²	114.4	93%	0.933	65%	0.646	S	S	*	*			trans	-79.8	54.4	175.6	47	0	0	0	0	112.6
356	R	42.8	Very low	41.4	Very low	201 Å²	201	118.2 Å²	118.2	76%	0.758	66%	0.664	S	S	*	*			trans	-149.5	136.7	166.7	-95.7	-167.7	177.4	165.6	-1.2	106.9	S354	S354-R356 PolarHBondContact O-N 3.29Å
357	D	30.5	Very low	40.6	Very low	133 Å²	133	125.7 Å²	125.7	71%	0.711	68%	0.683	S	S	*	*			cis	-135.2	156	12.9	-72.7	-66.6	0	0	0	113.4	P359	D357-P359 WeakPolarHBondContact O-CD 3.41Å
358	H	33.9	Very low	39.7	Very low	191 Å²	191	127.4 Å²	127.4	88%	0.884	71%	0.706	S	S	*	*			trans	-104.5	101.9	161.6	-92.6	-43.7	0	0	0	109.7	K360	H358-K360 PolarHBondContact O-N 3.11Å; H358-K360 VanDerWaalsContact O-N 3.16Å
359	P	31.1	Very low	38.7	Very low	120 Å²	120	128.8 Å²	128.8	78%	0.779	74%	0.735	S	S	*	*			trans	-72.2	108.7	174.3	28.5	-32.8	0	0	0	110.2	D357	D357-P359 WeakPolarHBondContact O-CD 3.41Å
360	K	33.3	Very low	37.9	Very low	199 Å²	199	137 Å²	137	87%	0.865	76%	0.76	S	S	*	*			trans	-115.3	68.8	177.6	-165.3	175.6	-176.3	175.8	0	111	H358	H358-K360 PolarHBondContact O-N 3.11Å; H358-K360 VanDerWaalsContact O-N 3.16Å
361	T	30.6	Very low	36.9	Very low	138 Å²	138	140.3 Å²	140.3	85%	0.847	77%	0.766	S	S	*	*			trans	-79.7	123	175.1	37.7	0	0	0	0	110.9
362	A	31.5	Very low	36	Very low	96 Å²	96	146.2 Å²	146.2	79%	0.793	80%	0.797	S	S	*	*			trans	-119.4	115.2	173.4	0	0	0	0	0	109.5
363	I	36.5	Very low	35.2	Very low	172 Å²	172	152.2 Å²	152.2	88%	0.882	82%	0.82	S	S	*	*			trans	-133.6	129.1	165.5	-59.6	-179	0	0	0	106
364	G	30.8	Very low	34.8	Very low	74 Å²	74	153.9 Å²	153.9	76%	0.763	83%	0.829	S	S	*	*			trans	-107.8	176.9	-176.8	0	0	0	0	0	113.1
365	C	29.5	Very low	34.6	Very low	132 Å²	132	152.4 Å²	152.4	89%	0.892	83%	0.829	S	S	*	*			trans	-140.4	163.1	162.4	-159.1	0	0	0	0	109.9
366	T	33	Very low	34.4	Very low	132 Å²	132	154.2 Å²	154.2	81%	0.81	83%	0.832	S	S	*	*			trans	-106.1	170	-162.9	59.3	0	0	0	0	114.2
367	R	32.6	Very low	34.2	Very low	228 Å²	228	154.1 Å²	154.1	86%	0.86	83%	0.832	S	S	*	*			trans	114.5	150.9	139.8	-158.3	-178.1	166.6	-167.5	-3.2	116.6
368	S	33.7	Very low	34.6	Very low	106 Å²	106	156.3 Å²	156.3	74%	0.741	84%	0.842	S	S	*	*			trans	68.1	87.1	166.8	-60.9	0	0	0	0	117.2
369	G	32.2	Very low	34.6	Very low	78 Å²	78	154.5 Å²	154.5	80%	0.804	83%	0.832	S	S	*	*			trans	-77.9	162.2	166.4	0	0	0	0	0	113.5
370	R	40.7	Very low	34.6	Very low	257 Å²	257	155 Å²	155	97%	0.97	84%	0.838	S	S	*	*			trans	-142.4	140.4	158.8	-129.7	177.6	-73	-163.6	0.8	110.7
371	R	37.4	Very low	34.7	Very low	226 Å²	226	155.2 Å²	155.2	85%	0.853	83%	0.834	S	S	*	*			trans	-87.9	131.8	-167.4	162	-165.9	-175.6	-118.2	16.5	112
372	L	37.9	Very low	35	Very low	170 Å²	170	157 Å²	157	89%	0.89	83%	0.832	S	S	*	*			trans	-152.6	170	143.7	-94	-171.1	0	0	0	110.8
373	K	38.4	Very low	35.1	Very low	188 Å²	188	159.3 Å²	159.3	82%	0.817	83%	0.831	S	S	*	*			trans	-149.1	119.3	-153.5	171	-167.8	172.9	-173.9	0	114
374	T	33.8	Very low	35	Very low	141 Å²	141	162.1 Å²	162.1	87%	0.865	83%	0.83	S	S	*	*			trans	-176.1	145.5	139.5	24.8	0	0	0	0	106.9
375	G	33.9	Very low	35.1	Very low	67 Å²	67	164.4 Å²	164.4	69%	0.691	83%	0.834	S	S	*	*				82.4	109	59.5	0	0	0	0	0	108.2
376	L	38.5	Very low	35.1	Very low	190 Å²	190	161.7 Å²	161.7	100%	0.995	83%	0.829	S	S	*	*			cis	-140.5	-179.3	48.2	-72.4	167.6	0	0	0	114.4
377	R	39.2	Very low	35.3	Very low	199 Å²	199	166.7 Å²	166.7	75%	0.751	83%	0.833	S	S	*	*			trans	-130.5	126.5	-175.1	176.5	-167.1	-175.6	-172.8	7.3	111.9
378	L	37.1	Very low	35.5	Very low	179 Å²	179	163.9 Å²	163.9	94%	0.937	83%	0.83	S	S	*	*			trans	-113.5	157.4	155.3	-86.1	167.4	0	0	0	110.5
379	K	33.8	Very low	35.4	Very low	153 Å²	153	165.8 Å²	165.8	67%	0.665	84%	0.837	S	S	*	*			trans	-117.9	124.4	-163.9	-59.7	164.7	-175.2	164.3	0	110.5
380	S	32.1	Very low	35.7	Very low	131 Å²	131	168.8 Å²	168.8	92%	0.916	84%	0.835	S	S	*	*			trans	-83.7	136.1	146.9	-175.2	0	0	0	0	108.1
381	R	34.7	Very low	35.3	Very low	202 Å²	202	162.1 Å²	162.1	76%	0.762	83%	0.827	S	S	*	*			trans	-116.6	103.9	-171	-155.9	-169.4	-149	-76.6	9.2	110.1
382	Q	38.4	Very low	35.3	Very low	176 Å²	176	155 Å²	155	82%	0.822	82%	0.824	S	S	*	*			trans	-75.4	135.7	174.1	-165	173.3	14	0	0	110.2
383	L	32.7	Very low	35.2	Very low	145 Å²	145	158.5 Å²	158.5	76%	0.759	83%	0.826	S	S	*	*			trans	-133.4	156.2	165.9	-76.8	179.1	0	0	0	109.5
384	R	34.2	Very low	35	Very low	230 Å²	230	154.4 Å²	154.4	87%	0.868	83%	0.827	S	S	*	*			trans	-114.2	149.4	-172.5	-65.4	-178.4	173.3	-155.7	-1.2	111.2
385	S	32.6	Very low	35	Very low	122 Å²	122	152 Å²	152	85%	0.853	82%	0.816	S	S	*	*			trans	35.7	115.6	141.4	-162.7	0	0	0	0	119.4
386	G	29.3	Very low	34.9	Very low	76 Å²	76	160 Å²	160	78%	0.784	83%	0.825	S	S	*	*			trans	-119.9	155.5	154.6	0	0	0	0	0	109.7
387	R	37.6	Very low	34.5	Very low	236 Å²	236	162.2 Å²	162.2	89%	0.891	82%	0.821	S	S	*	*			trans	-94.7	139.3	-172.2	-71.3	-172.5	176.8	-157.1	1.1	114
388	Q	37.6	Very low	34	Very low	170 Å²	170	157.4 Å²	157.4	79%	0.794	82%	0.817	S	S	*	*			trans	13.2	125.2	138.3	-172.6	-176	36.1	0	0	119
389	T	32.2	Very low	34	Very low	145 Å²	145	153.1 Å²	153.1	89%	0.89	80%	0.802	S	S	*	*			trans	-129.5	156.8	139.5	47.7	0	0	0	0	109
390	D	36.8	Very low	34.1	Very low	141 Å²	141	149.3 Å²	149.3	75%	0.754	80%	0.795	S	S	*	*			trans	-107.6	146.5	-170.4	-164.8	0.2	0	0	0	111.9
391	S	32.7	Very low	34.5	Very low	117 Å²	117	147.4 Å²	147.4	82%	0.818	78%	0.782	S	S	*	*			trans	-174.3	114.8	166.4	-84.9	0	0	0	0	110.5
392	G	36.9	Very low	35.1	Very low	76 Å²	76	144 Å²	144	78%	0.784	78%	0.777	S	S	*	*			trans	-72.3	132.9	-173.3	0	0	0	0	0	114.9
393	R	35.8	Very low	35.1	Very low	245 Å²	245	138.9 Å²	138.9	93%	0.925	76%	0.761	S	S	*	*			trans	-122.1	117.6	138.5	-83.4	-172.6	168.2	-175.4	-3.4	108.2	S395	R393-S395 VanDerWaalsContact C-N 3.33Å; R393-S395 PolarHBondContact O-N 3.48Å
394	A	34.8	Very low	35.4	Very low	101 Å²	101	140.7 Å²	140.7	84%	0.835	76%	0.757	S	S	*	*			trans	-63.6	97	169.6	0	0	0	0	0	108.5	R396	A394-R396 PolarHBondContact O-N 3.35Å
395	S	33.7	Very low	35.6	Very low	92 Å²	92	135.6 Å²	135.6	64%	0.643	76%	0.757	S	S	*	*			trans	-64.9	103.6	172.9	-172.1	0	0	0	0	107.6	R393 W397	R393-S395 VanDerWaalsContact C-N 3.33Å; R393-S395 PolarHBondContact O-N 3.48Å; S395-W397 PolarHBondContact O-N 2.77Å
396	R	32.3	Very low	36	Very low	234 Å²	234	135.2 Å²	135.2	88%	0.883	75%	0.745	S	S	*	*			trans	-57.1	110.8	170	-63.7	177.8	-172	151	0.9	106.3	A394 S398	A394-R396 PolarHBondContact O-N 3.35Å; R396-S398 PolarHBondContact O-N 2.86Å
397	W	30.9	Very low	36.6	Very low	237 Å²	237	140 Å²	140	90%	0.898	75%	0.751	S	S	*	*			trans	-66.8	87.6	178.4	-66	-25.5	0	0	0	109.7	S395 S399	S395-W397 PolarHBondContact O-N 2.77Å; W397-S399 PolarHBondContact O-N 2.89Å
398	S	28.3	Very low	37.2	Very low	98 Å²	98	130.4 Å²	130.4	69%	0.685	73%	0.726	S	S	*	*			trans	-63.6	93.8	156.4	56.3	0	0	0	0	106.5	R396 S400	R396-S398 PolarHBondContact O-N 2.86Å; S398-S400 PolarHBondContact O-N 2.89Å; S398-S400 PolarHBondContact O-OG 3.32Å
399	S	36.6	Very low	38.9	Very low	88 Å²	88	126.6 Å²	126.6	62%	0.615	71%	0.711	S	S	*	*			trans	-67.9	79.8	171.3	43.3	0	0	0	0	109	W397 S401	W397-S399 PolarHBondContact O-N 2.89Å; S399-S401 PolarHBondContact O-N 2.92Å; S399-S401 PolarHBondContact O-OG 3.07Å
400	S	36.7	Very low	41	Very low	73 Å²	73	122.4 Å²	122.4	51%	0.51	68%	0.681	S	S	.	*			trans	-73.8	49	173.1	42.6	0	0	0	0	111.4	S398 I402 S403	S398-S400 PolarHBondContact O-N 2.89Å; S398-S400 PolarHBondContact O-OG 3.32Å; S400-I402 PolarHBondContact O-N 3.08Å; S400-S403 WeakPolarHBondContact CA-OG 3.36Å; S400-S403 VanDerWaalsContact CB-OG 3.23Å; S400-S403 WeakPolarHBondContact CB-OG 3.47Å; S400-S403 PolarHBondContact O-N 2.85Å; S400-S403 PolarHBondContact O-OG 2.89Å; S400-S403 VanDerWaalsContact O-OG 3.14Å
401	S	39.2	Very low	43	Very low	92 Å²	92	116.4 Å²	116.4	64%	0.643	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	121.7	168.4	52.2	0	0	0	0	108.8	S399 S403	S399-S401 PolarHBondContact O-N 2.92Å; S399-S401 PolarHBondContact O-OG 3.07Å; S401-S403 PolarHBondContact O-N 3.28Å; S401-S403 PolarHBondContact O-OG 2.91Å
402	I	47.8	Very low	45.4	Very low	131 Å²	131	113.5 Å²	113.5	67%	0.672	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.1	30.6	-177.2	-30.6	179.7	0	0	0	113.6	S400 F410	S400-I402 PolarHBondContact O-N 3.08Å; I402-F410 HydrophobicContact CG2-CB 4.05Å; I402-F410 HydrophobicContact CG2-CD2 4.47Å; I402-F410 HydrophobicContact CG2-CG 4.23Å
403	S	39	Very low	47.6	Very low	67 Å²	67	110.1 Å²	110.1	47%	0.469	59%	0.586	S	S	.	*			trans	-130.4	52	175.7	29	0	0	0	0	114.2	S400 S401 S405	S400-S403 WeakPolarHBondContact CA-OG 3.36Å; S400-S403 VanDerWaalsContact CB-OG 3.23Å; S400-S403 WeakPolarHBondContact CB-OG 3.47Å; S400-S403 PolarHBondContact O-N 2.85Å; S400-S403 PolarHBondContact O-OG 2.89Å; S400-S403 VanDerWaalsContact O-OG 3.14Å; S401-S403 PolarHBondContact O-N 3.28Å; S401-S403 PolarHBondContact O-OG 2.91Å; S403-S405 PolarHBondContact O-N 2.88Å
404	R	38.4	Very low	49.9	Very low	183 Å²	183	98.4 Å²	98.4	69%	0.691	54%	0.542	S	S	*	.	S	Bend	trans	-75.4	71.2	160.2	-70.8	-173	177.3	-129.7	0.3	111.6	L406 E456	R404-L406 PolarHBondContact O-N 2.84Å; R404-E456 WeakPolarHBondContact CD-OE2 3.47Å; R404-E456 IonicContact CZ-OE1 2.74Å; R404-E456 VanDerWaalsContact CZ-OE1 3.3Å; R404-E456 IonicContact CZ-OE2 3.3Å; R404-E456 VanDerWaalsContact NE-CD 3.25Å; R404-E456 IonicContact NE-OE1 3.61Å; R404-E456 PolarHBondContact NE-OE1 2.98Å; R404-E456 VanDerWaalsContact NE-OE1 3.11Å; R404-E456 IonicContact NE-OE2 3.11Å; R404-E456 PolarHBondContact NE-OE2 3.06Å; R404-E456 IonicContact NH2-OE1 3.79Å; R404-E456 PolarHBondContact NH2-OE1 3.29Å; R404-E456 IonicContact NH2-OE2 2.67Å
405	S	38.8	Very low	52.4	Low	123 Å²	123	93.8 Å²	93.8	86%	0.86	50%	0.503	S	S	*	.	S	Bend	trans	39.4	47.6	156.9	-52.5	0	0	0	0	118.6	S403	S403-S405 PolarHBondContact O-N 2.88Å
406	L	40.9	Very low	54.8	Low	114 Å²	114	95.2 Å²	95.2	60%	0.597	50%	0.498	S	S	*	.			trans	-107.5	136.9	166.5	-69.4	179	0	0	0	110.6	R404 G408 F419	R404-L406 PolarHBondContact O-N 2.84Å; L406-G408 VanDerWaalsContact C-N 3.31Å; L406-G408 PolarHBondContact O-N 2.81Å; L406-F419 HydrophobicContact CD1-CE1 3.85Å; L406-F419 HydrophobicContact CD1-CZ 4.14Å
407	L	41.9	Very low	57.3	Low	176 Å²	176	86.1 Å²	86.1	92%	0.921	48%	0.477	S	S	*	.	S	Bend	trans	-76.4	81.4	176.8	-167.5	68.6	0	0	0	110.2
408	G	50.6	Low	59.8	Low	35 Å²	35	80.9 Å²	80.9	36%	0.361	46%	0.457	S	S	.	.	S	Bend	trans	148.2	154.9	175.4	0	0	0	0	0	113.4	L406	L406-G408 VanDerWaalsContact C-N 3.31Å; L406-G408 PolarHBondContact O-N 2.81Å
409	N	72.4	Confident	62.3	Low	90 Å²	90	79 Å²	79	48%	0.481	44%	0.436	S	S	.	.			trans	-61.5	137.8	179.5	179.4	-8.8	0	0	0	111.1	E411 E412 S413	N409-E411 VanDerWaalsContact C-N 3.26Å; N409-E411 PolarHBondContact O-N 3.44Å; N409-E411 WeakPolarHBondContact OD1-CB 3.39Å; N409-E411 PolarHBondContact OD1-N 2.97Å; N409-E412 HydrophobicContact CB-CB 4.16Å; N409-E412 WeakPolarHBondContact O-CB 3.37Å; N409-E412 PolarHBondContact O-N 3.34Å; N409-S413 PolarHBondContact O-N 3.04Å; N409-S413 PolarHBondContact O-OG 2.84Å
410	F	76.2	Confident	64.5	Low	58 Å²	58	79.9 Å²	79.9	25%	0.254	44%	0.443	S	S	.	.	H	α-helix	trans	-51.1	-45.1	173.4	171.5	-92.5	0	0	0	112	I402 E412 S413 I414 F419 I454 P462	I402-F410 HydrophobicContact CG2-CB 4.05Å; I402-F410 HydrophobicContact CG2-CD2 4.47Å; I402-F410 HydrophobicContact CG2-CG 4.23Å; F410-E412 VanDerWaalsContact C-N 3.28Å; F410-E412 PolarHBondContact O-N 2.81Å; F410-S413 WeakPolarHBondContact O-CB 3.35Å; F410-S413 PolarHBondContact O-N 2.86Å; F410-S413 VanDerWaalsContact O-N 3.09Å; F410-I414 HydrophobicContact CD1-CG2 4.49Å; F410-I414 HydrophobicContact CE1-CB 4.49Å; F410-I414 HydrophobicContact CE1-CD1 4.43Å; F410-I414 HydrophobicContact CE1-CG2 4.09Å; F410-I414 HydrophobicContact CZ-CB 4.39Å; F410-I414 HydrophobicContact CZ-CD1 4.08Å; F410-I414 HydrophobicContact CZ-CG2 4.47Å; F410-I414 WeakPolarHBondContact O-CG2 3.38Å; F410-I414 PolarHBondContact O-N 3.35Å; F410-F419 HydrophobicContact CD2-CD2 4.36Å; F410-F419 AromaticContact CD2-CE2 3.35Å; F410-F419 HydrophobicContact CD2-CE2 3.35Å; F410-F419 AromaticContact CD2-CZ 3.65Å; F410-F419 HydrophobicContact CD2-CZ 3.65Å; F410-F419 AromaticContact CE2-CD2 4Å; F410-F419 HydrophobicContact CE2-CD2 4Å; F410-F419 AromaticContact CE2-CE2 3.4Å; F410-F419 HydrophobicContact CE2-CE2 3.4Å; F410-F419 VanDerWaalsContact CE2-CE2 3.4Å; F410-F419 AromaticContact CE2-CZ 3.94Å; F410-F419 HydrophobicContact CE2-CZ 3.94Å; F410-F419 HydrophobicContact CG-CE2 4.27Å; F410-F419 HydrophobicContact CZ-CE2 4.35Å; F410-I454 HydrophobicContact CE1-CD1 4.32Å; F410-I454 HydrophobicContact CE2-CD1 4.02Å; F410-I454 HydrophobicContact CZ-CD1 3.58Å; F410-P462 HydrophobicContact CE1-CG 4.46Å; F410-P462 HydrophobicContact CZ-CG 4.26Å
411	E	79.3	Confident	67	Low	15 Å²	15	79.7 Å²	79.7	7%	0.07	44%	0.44	C	S	.	.	H	α-helix	trans	-55.6	-44.1	176.4	-176.1	-152.4	113.9	0	0	111.5	N409 S413 I414 L415 R518 R520 L549 L552	N409-E411 VanDerWaalsContact C-N 3.26Å; N409-E411 PolarHBondContact O-N 3.44Å; N409-E411 WeakPolarHBondContact OD1-CB 3.39Å; N409-E411 PolarHBondContact OD1-N 2.97Å; E411-S413 VanDerWaalsContact C-N 3.34Å; E411-I414 VanDerWaalsContact O-CG2 3.28Å; E411-I414 WeakPolarHBondContact O-CG2 3.29Å; E411-L415 HydrophobicContact CG-CD1 3.93Å; E411-L415 WeakPolarHBondContact O-CB 3.49Å; E411-L415 VanDerWaalsContact O-CG 3.23Å; E411-L415 WeakPolarHBondContact O-CG 3.06Å; E411-L415 PolarHBondContact O-N 2.94Å; E411-R518 WeakPolarHBondContact OE1-CD 3.32Å; E411-R518 IonicContact OE1-CZ 3.2Å; E411-R518 IonicContact OE1-NE 2.74Å; E411-R518 IonicContact OE1-NH1 2.75Å; E411-R518 PolarHBondContact OE1-NH1 2.92Å; E411-R520 VanDerWaalsContact CD-NH2 3.34Å; E411-R520 IonicContact OE1-CZ 3.64Å; E411-R520 IonicContact OE1-NE 3.51Å; E411-R520 IonicContact OE1-NH2 3.26Å; E411-R520 PolarHBondContact OE1-NH2 3.44Å; E411-R520 IonicContact OE2-CZ 2.74Å; E411-R520 VanDerWaalsContact OE2-CZ 3.31Å; E411-R520 IonicContact OE2-NE 2.7Å; E411-R520 PolarHBondContact OE2-NE 2.79Å; E411-R520 IonicContact OE2-NH2 2.64Å; E411-R520 PolarHBondContact OE2-NH2 2.8Å; E411-R520 VanDerWaalsContact OE2-NH2 3.09Å; E411-L549 HydrophobicContact CG-CD2 4.44Å; E411-L552 HydrophobicContact CG-CD1 3.6Å
412	E	81.9	Confident	69.4	Low	56 Å²	56	78 Å²	78	26%	0.262	43%	0.428	S	S	.	.	H	α-helix	trans	-70.6	-34.2	179.6	-160.4	-159.4	166.2	0	0	111.4	N409 F410 K416	N409-E412 HydrophobicContact CB-CB 4.16Å; N409-E412 WeakPolarHBondContact O-CB 3.37Å; N409-E412 PolarHBondContact O-N 3.34Å; F410-E412 VanDerWaalsContact C-N 3.28Å; F410-E412 PolarHBondContact O-N 2.81Å; E412-K416 HydrophobicContact CG-CD 4.17Å; E412-K416 WeakPolarHBondContact O-CB 3.26Å; E412-K416 VanDerWaalsContact O-CG 3.28Å; E412-K416 WeakPolarHBondContact O-CG 3.44Å; E412-K416 PolarHBondContact O-N 3.49Å; E412-K416 VanDerWaalsContact OE1-CE 3.24Å; E412-K416 WeakPolarHBondContact OE1-CE 3.31Å; E412-K416 IonicContact OE1-NZ 3.31Å; E412-K416 PolarHBondContact OE1-NZ 2.94Å
413	S	83.1	Confident	71.4	Confident	4 Å²	4	72.8 Å²	72.8	3%	0.028	41%	0.407	C	S	.	.	H	α-helix	trans	-66.9	-47.4	175.5	-66	0	0	0	0	112.6	N409 F410 E411 K416 G417 R418	N409-S413 PolarHBondContact O-N 3.04Å; N409-S413 PolarHBondContact O-OG 2.84Å; F410-S413 WeakPolarHBondContact O-CB 3.35Å; F410-S413 PolarHBondContact O-N 2.86Å; F410-S413 VanDerWaalsContact O-N 3.09Å; E411-S413 VanDerWaalsContact C-N 3.34Å; S413-K416 PolarHBondContact O-N 2.84Å; S413-G417 PolarHBondContact O-N 2.77Å; S413-G417 VanDerWaalsContact O-N 3.11Å; S413-R418 PolarHBondContact O-N 2.84Å; S413-R418 PolarHBondContact OG-NE 2.85Å; S413-R418 PolarHBondContact OG-NH2 2.9Å
414	I	85.7	Confident	73.9	Confident	0 Å²	0	74 Å²	74	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-67	-43.1	175.2	-168.4	161.2	0	0	0	111	F410 E411 K416 G417 F419 Y452 P462 L464 L574	F410-I414 HydrophobicContact CD1-CG2 4.49Å; F410-I414 HydrophobicContact CE1-CB 4.49Å; F410-I414 HydrophobicContact CE1-CD1 4.43Å; F410-I414 HydrophobicContact CE1-CG2 4.09Å; F410-I414 HydrophobicContact CZ-CB 4.39Å; F410-I414 HydrophobicContact CZ-CD1 4.08Å; F410-I414 HydrophobicContact CZ-CG2 4.47Å; F410-I414 WeakPolarHBondContact O-CG2 3.38Å; F410-I414 PolarHBondContact O-N 3.35Å; E411-I414 VanDerWaalsContact O-CG2 3.28Å; E411-I414 WeakPolarHBondContact O-CG2 3.29Å; I414-K416 VanDerWaalsContact C-N 3.25Å; I414-K416 PolarHBondContact O-N 3Å; I414-G417 PolarHBondContact O-N 2.9Å; I414-F419 HydrophobicContact CB-CD2 4.15Å; I414-Y452 HydrophobicContact CD1-CD2 3.37Å; I414-Y452 HydrophobicContact CD1-CE2 3.61Å; I414-Y452 HydrophobicContact CD1-CG 3.88Å; I414-Y452 HydrophobicContact CG1-CD2 4.1Å; I414-Y452 HydrophobicContact CG1-CE2 3.8Å; I414-P462 HydrophobicContact CD1-CB 4.33Å; I414-P462 HydrophobicContact CD1-CG 3.88Å; I414-L464 HydrophobicContact CG1-CB 4.44Å; I414-L464 HydrophobicContact CG1-CD2 4.24Å; I414-L464 WeakPolarHBondContact O-CD2 2.94Å; I414-L574 HydrophobicContact CD1-CD1 3.89Å; I414-L574 HydrophobicContact CG1-CD1 4.25Å; I414-L574 HydrophobicContact CG2-CD1 4.16Å
415	L	86.3	Confident	76.5	Confident	4 Å²	4	66 Å²	66	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-65.9	-22.3	175.6	-73.3	176.5	0	0	0	114.1	E411 L464 L552 H554 R572	E411-L415 HydrophobicContact CG-CD1 3.93Å; E411-L415 WeakPolarHBondContact O-CB 3.49Å; E411-L415 VanDerWaalsContact O-CG 3.23Å; E411-L415 WeakPolarHBondContact O-CG 3.06Å; E411-L415 PolarHBondContact O-N 2.94Å; L415-L464 HydrophobicContact CD2-CD1 4.31Å; L415-L552 HydrophobicContact CD1-CD1 4.09Å; L415-L552 HydrophobicContact CD1-CD2 3.74Å; L415-L552 HydrophobicContact CD2-CD2 4.02Å; L415-L552 HydrophobicContact CG-CD2 4.44Å; L415-H554 HydrophobicContact CD1-CB 4.44Å; L415-H554 HydrophobicContact CD2-CB 4.26Å; L415-R572 HydrophobicContact CD2-CB 3.78Å; L415-R572 WeakPolarHBondContact O-CD 3.3Å; L415-R572 PolarHBondContact O-NE 2.81Å; L415-R572 PolarHBondContact O-NH1 2.8Å
416	K	84.9	Confident	79.1	Confident	122 Å²	122	67.2 Å²	67.2	53%	0.53	37%	0.367	S	S	.	.	H	α-helix	trans	-90.4	-6.7	171.1	-75.8	178	169.2	176.5	0	113.7	E412 S413 I414 R418	E412-K416 HydrophobicContact CG-CD 4.17Å; E412-K416 WeakPolarHBondContact O-CB 3.26Å; E412-K416 VanDerWaalsContact O-CG 3.28Å; E412-K416 WeakPolarHBondContact O-CG 3.44Å; E412-K416 PolarHBondContact O-N 3.49Å; E412-K416 VanDerWaalsContact OE1-CE 3.24Å; E412-K416 WeakPolarHBondContact OE1-CE 3.31Å; E412-K416 IonicContact OE1-NZ 3.31Å; E412-K416 PolarHBondContact OE1-NZ 2.94Å; S413-K416 PolarHBondContact O-N 2.84Å; I414-K416 VanDerWaalsContact C-N 3.25Å; I414-K416 PolarHBondContact O-N 3Å; K416-R418 HydrophobicContact CB-CG 3.99Å
417	G	83.3	Confident	81.7	Confident	43 Å²	43	63.8 Å²	63.8	44%	0.443	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	25.9	-175.2	0	0	0	0	0	113.8	S413 I414 F419	S413-G417 PolarHBondContact O-N 2.77Å; S413-G417 VanDerWaalsContact O-N 3.11Å; I414-G417 PolarHBondContact O-N 2.9Å; G417-F419 PolarHBondContact O-N 2.84Å
418	R	84.3	Confident	84.4	Confident	127 Å²	127	55.6 Å²	55.6	48%	0.479	32%	0.317	S	S	.	.			trans	-78.7	3.1	178.8	-63.5	-165.7	-65.9	179.2	-5	114.1	S413 K416	S413-R418 PolarHBondContact O-N 2.84Å; S413-R418 PolarHBondContact OG-NE 2.85Å; S413-R418 PolarHBondContact OG-NH2 2.9Å; K416-R418 HydrophobicContact CB-CG 3.99Å
419	F	81.3	Confident	86.6	Confident	57 Å²	57	55.3 Å²	55.3	25%	0.25	31%	0.308	C	S	.	.	S	Bend	trans	-117.7	138.1	174.7	-66.9	-60.2	0	0	0	110.1	L406 F410 I414 G417 Y452	L406-F419 HydrophobicContact CD1-CE1 3.85Å; L406-F419 HydrophobicContact CD1-CZ 4.14Å; F410-F419 HydrophobicContact CD2-CD2 4.36Å; F410-F419 AromaticContact CD2-CE2 3.35Å; F410-F419 HydrophobicContact CD2-CE2 3.35Å; F410-F419 AromaticContact CD2-CZ 3.65Å; F410-F419 HydrophobicContact CD2-CZ 3.65Å; F410-F419 AromaticContact CE2-CD2 4Å; F410-F419 HydrophobicContact CE2-CD2 4Å; F410-F419 AromaticContact CE2-CE2 3.4Å; F410-F419 HydrophobicContact CE2-CE2 3.4Å; F410-F419 VanDerWaalsContact CE2-CE2 3.4Å; F410-F419 AromaticContact CE2-CZ 3.94Å; F410-F419 HydrophobicContact CE2-CZ 3.94Å; F410-F419 HydrophobicContact CG-CE2 4.27Å; F410-F419 HydrophobicContact CZ-CE2 4.35Å; I414-F419 HydrophobicContact CB-CD2 4.15Å; G417-F419 PolarHBondContact O-N 2.84Å; F419-Y452 HydrophobicContact CB-CD1 4.02Å; F419-Y452 HydrophobicContact CB-CE1 3.54Å; F419-Y452 WeakPolarHBondContact O-CE1 3.45Å; F419-Y452 PolarHBondContact O-OH 3.01Å
420	S	83.3	Confident	87.9	Confident	108 Å²	108	51 Å²	51	76%	0.755	29%	0.285	S	S	*	.			trans	-63.3	125.8	168	-52.9	0	0	0	0	109.9	Y452	S420-Y452 WeakPolarHBondContact O-CE1 3.39Å
421	P	89.2	Confident	88.9	Confident	68 Å²	68	50.6 Å²	50.6	44%	0.442	28%	0.284	S	S	.	.			trans	-70.3	147.3	174.3	30.4	-34.5	0	0	0	110.9	G423 T450 Y452	P421-G423 VanDerWaalsContact C-N 3.3Å; P421-T450 HydrophobicContact CB-CG2 4.01Å; P421-T450 HydrophobicContact CG-CG2 4.33Å; P421-Y452 HydrophobicContact CB-CE1 4.15Å
422	S	87.8	Confident	89.9	Confident	58 Å²	58	49.9 Å²	49.9	41%	0.406	28%	0.281	S	S	.	.	S	Bend	trans	-79.6	-16.3	173.9	-53.6	0	0	0	0	112.5	Y451 D453	S422-Y451 PolarHBondContact N-O 2.89Å; S422-Y451 PolarHBondContact O-OH 3.07Å; S422-D453 WeakPolarHBondContact OG-CB 3.49Å; S422-D453 PolarHBondContact OG-N 2.99Å
423	G	90.2	Very high	90.6	Very high	21 Å²	21	47.3 Å²	47.3	22%	0.216	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.8	178.7	171.3	0	0	0	0	0	112.8	P421 T450 Y451	P421-G423 VanDerWaalsContact C-N 3.3Å; G423-T450 VanDerWaalsContact O-CA 3.27Å; G423-T450 WeakPolarHBondContact O-CA 3.43Å; G423-T450 WeakPolarHBondContact O-CB 3.36Å; G423-Y451 VanDerWaalsContact CA-CE1 3.45Å; G423-Y451 PolarHBondContact O-N 3.12Å
424	Q	92.6	Very high	91.3	Very high	93 Å²	93	47.3 Å²	47.3	44%	0.435	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.5	178.1	-178.8	171.6	-58.8	0	0	110.2	V449 T450	Q424-V449 CarbonylContact C-O 3.59Å; Q424-V449 WeakPolarHBondContact CA-O 3.48Å; Q424-V449 WeakPolarHBondContact CG-O 3.44Å; Q424-T450 HydrophobicContact CB-CG2 4.37Å
425	I	92.6	Very high	91.9	Very high	13 Å²	13	50.1 Å²	50.1	7%	0.067	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.6	173	-47.7	176.7	0	0	0	108.4	L351 F428 V449 Y451 F463	L351-I425 HydrophobicContact CB-CG2 4.1Å; L351-I425 HydrophobicContact CD1-CG2 4.02Å; I425-F428 HydrophobicContact CB-CD2 4.5Å; I425-F428 HydrophobicContact CB-CE2 4.07Å; I425-F428 HydrophobicContact CG2-CD2 4.25Å; I425-F428 HydrophobicContact CG2-CE2 3.79Å; I425-V449 PolarHBondContact N-O 3.2Å; I425-Y451 HydrophobicContact CD1-CD1 4.27Å; I425-Y451 HydrophobicContact CG1-CD1 4.15Å; I425-Y451 HydrophobicContact CG1-CE1 4.49Å; I425-F463 HydrophobicContact CD1-CD1 4.31Å; I425-F463 HydrophobicContact CD1-CE1 3.78Å
426	E	94.2	Very high	92.5	Very high	149 Å²	149	51.7 Å²	51.7	70%	0.696	31%	0.306	S	S	*	.			trans	-99.9	179.7	-177	-55.6	-164.8	152.6	0	0	112.3	F428 P492	E426-F428 PolarHBondContact O-N 2.85Å; E426-F428 VanDerWaalsContact O-N 3.16Å; E426-P492 VanDerWaalsContact O-CG 3.26Å; E426-P492 WeakPolarHBondContact O-CG 3.4Å
427	G	95.4	Very high	93	Very high	42 Å²	42	51 Å²	51	43%	0.433	32%	0.316	S	S	.	.			trans	79.8	-14.9	173.5	0	0	0	0	0	116.4	K494	G427-K494 PolarHBondContact O-NZ 3.36Å
428	F	97.4	Very high	93.7	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.018	31%	0.313	C	S	.	.			trans	-60.7	141.1	171.1	-79	-101	0	0	0	111.6	W348 I425 E426 V447 V449 L489 F490 N491 P492 V497 F575	W348-F428 AromaticContact CH2-CE1 3.74Å; W348-F428 HydrophobicContact CH2-CE1 3.74Å; W348-F428 AromaticContact CH2-CZ 3.53Å; W348-F428 HydrophobicContact CH2-CZ 3.53Å; W348-F428 HydrophobicContact CZ3-CE1 4.06Å; W348-F428 HydrophobicContact CZ3-CE2 4.02Å; W348-F428 AromaticContact CZ3-CZ 3.36Å; W348-F428 HydrophobicContact CZ3-CZ 3.36Å; I425-F428 HydrophobicContact CB-CD2 4.5Å; I425-F428 HydrophobicContact CB-CE2 4.07Å; I425-F428 HydrophobicContact CG2-CD2 4.25Å; I425-F428 HydrophobicContact CG2-CE2 3.79Å; E426-F428 PolarHBondContact O-N 2.85Å; E426-F428 VanDerWaalsContact O-N 3.16Å; F428-V447 HydrophobicContact CB-CB 3.97Å; F428-V447 HydrophobicContact CB-CG2 4.4Å; F428-V447 PolarHBondContact O-N 2.92Å; F428-V449 HydrophobicContact CB-CG2 3.81Å; F428-V449 HydrophobicContact CD1-CG2 3.86Å; F428-V449 HydrophobicContact CD2-CB 3.95Å; F428-V449 HydrophobicContact CD2-CG1 4.4Å; F428-V449 HydrophobicContact CD2-CG2 3.7Å; F428-V449 HydrophobicContact CE1-CG2 4.24Å; F428-V449 HydrophobicContact CE2-CB 4.11Å; F428-V449 HydrophobicContact CE2-CG1 4.05Å; F428-V449 HydrophobicContact CE2-CG2 4.1Å; F428-V449 HydrophobicContact CG-CB 4.33Å; F428-V449 HydrophobicContact CG-CG2 3.55Å; F428-V449 HydrophobicContact CZ-CG1 4.23Å; F428-V449 HydrophobicContact CZ-CG2 4.34Å; F428-L489 HydrophobicContact CD1-CD1 4.02Å; F428-L489 HydrophobicContact CD1-CG 4.41Å; F428-F490 WeakPolarHBondContact CA-O 3.47Å; F428-F490 VanDerWaalsContact CD1-O 3.26Å; F428-F490 WeakPolarHBondContact CD1-O 3.32Å; F428-N491 HydrophobicContact CE1-CB 4.5Å; F428-P492 HydrophobicContact CD2-CG 4.19Å; F428-P492 HydrophobicContact CE2-CG 4.45Å; F428-V497 HydrophobicContact CE1-CG2 4.25Å; F428-F575 AromaticContact CE1-CE2 3.99Å; F428-F575 HydrophobicContact CE1-CE2 3.99Å; F428-F575 AromaticContact CE1-CZ 3.84Å; F428-F575 HydrophobicContact CE1-CZ 3.84Å; F428-F575 HydrophobicContact CZ-CE2 4.24Å; F428-F575 HydrophobicContact CZ-CZ 4.19Å
429	T	98.2	Very high	94.3	Very high	29 Å²	29	51.9 Å²	51.9	18%	0.178	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147.9	176.7	42.3	0	0	0	0	109.6	L445 F490 K494	T429-L445 CarbonylContact C-O 3.57Å; T429-L445 VanDerWaalsContact CA-O 3.31Å; T429-L445 WeakPolarHBondContact CA-O 3.41Å; T429-F490 PolarHBondContact N-O 2.85Å; T429-F490 WeakPolarHBondContact O-CA 3.32Å; T429-F490 WeakPolarHBondContact O-CB 3.44Å; T429-F490 PolarHBondContact O-N 2.86Å; T429-K494 PolarHBondContact OG1-NZ 3.04Å
430	A	98.4	Very high	95.1	Very high	0 Å²	0	50 Å²	50	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.5	175.5	0	0	0	0	0	110.9	T444 L445 V447 I467 V487 T488 L489	A430-T444 CarbonylContact O-C 3.6Å; A430-T444 WeakPolarHBondContact O-CA 3.35Å; A430-L445 PolarHBondContact N-O 2.87Å; A430-L445 PolarHBondContact O-N 2.75Å; A430-V447 HydrophobicContact CB-CG2 3.57Å; A430-I467 HydrophobicContact CB-CD1 3.5Å; A430-I467 HydrophobicContact CB-CG1 4.27Å; A430-V487 HydrophobicContact CB-CG1 4.35Å; A430-T488 CarbonylContact C-O 3.4Å; A430-T488 VanDerWaalsContact CA-O 3.24Å; A430-T488 WeakPolarHBondContact CA-O 3.49Å; A430-L489 HydrophobicContact CB-CD1 4.49Å
431	E	98.4	Very high	95.8	Very high	50 Å²	50	53 Å²	53	23%	0.234	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.5	168	-177.8	-169	171	0	0	108.7	H442 V487 T488 F490	E431-H442 HydrophobicContact CG-CB 4.34Å; E431-H442 IonicContact OE1-CE1 2.77Å; E431-H442 IonicContact OE1-CG 3.74Å; E431-H442 IonicContact OE1-ND1 3.75Å; E431-H442 PolarHBondContact OE1-ND1 3.45Å; E431-V487 CarbonylContact O-C 3.52Å; E431-V487 WeakPolarHBondContact O-CA 3.19Å; E431-T488 PolarHBondContact N-O 2.9Å; E431-T488 PolarHBondContact O-N 3.15Å; E431-F490 HydrophobicContact CB-CE2 3.8Å
432	I	98.4	Very high	96.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.9	175.6	-54.6	167.1	0	0	0	107.8	H442 V443 L445 I467 L469 Y477 V487 L567 I571	I432-H442 CarbonylContact O-C 3.52Å; I432-H442 WeakPolarHBondContact O-CA 3.18Å; I432-V443 HydrophobicContact CB-CG2 4.02Å; I432-V443 PolarHBondContact N-O 3.03Å; I432-V443 PolarHBondContact O-N 2.92Å; I432-L445 HydrophobicContact CD1-CD1 3.96Å; I432-I467 HydrophobicContact CD1-CG2 4.25Å; I432-L469 HydrophobicContact CD1-CD2 3.72Å; I432-Y477 HydrophobicContact CG2-CD1 3.9Å; I432-Y477 HydrophobicContact CG2-CE1 3.83Å; I432-V487 HydrophobicContact CG1-CG2 4.41Å; I432-V487 HydrophobicContact CG2-CG2 4.43Å; I432-L567 HydrophobicContact CG2-CD1 4.47Å; I432-I571 HydrophobicContact CD1-CD1 3.69Å; I432-I571 HydrophobicContact CG1-CD1 4.18Å
433	G	98.2	Very high	96.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	160.3	172.2	0	0	0	0	0	111.5	H442 Q486	G433-H442 VanDerWaalsContact CA-CD2 3.49Å; G433-H442 WeakPolarHBondContact CA-CD2 3.16Å; G433-Q486 PolarHBondContact N-O 3.38Å; G433-Q486 PolarHBondContact O-N 2.83Å
434	A	98.1	Very high	97	Very high	4 Å²	4	56 Å²	56	3%	0.033	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.5	170.2	0	0	0	0	0	111.3	P440 Y477 I479 T484 I485	A434-P440 HydrophobicContact CB-CG 4.16Å; A434-P440 VanDerWaalsContact O-CD 3.27Å; A434-P440 WeakPolarHBondContact O-CD 3.42Å; A434-Y477 HydrophobicContact CB-CE1 3.99Å; A434-I479 HydrophobicContact CB-CB 4.36Å; A434-I479 HydrophobicContact CB-CG2 3.78Å; A434-T484 CarbonylContact C-O 3.59Å; A434-T484 WeakPolarHBondContact CA-O 3.25Å; A434-I485 HydrophobicContact CB-CG1 4.27Å
435	S	98.1	Very high	97.3	Very high	60 Å²	60	52.1 Å²	52.1	42%	0.42	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	158	175.9	-178.3	0	0	0	0	109.9	G483 T484	S435-G483 WeakPolarHBondContact O-CA 3.31Å; S435-T484 PolarHBondContact N-O 2.9Å; S435-T484 PolarHBondContact O-N 3.06Å
436	G	97.3	Very high	97.6	Very high	36 Å²	36	56 Å²	56	37%	0.371	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	159.5	-137.8	-173.1	0	0	0	0	0	110.1	Y438 A482	G436-Y438 PolarHBondContact N-O 2.8Å; G436-Y438 PolarHBondContact O-N 2.96Å; G436-Y438 VanDerWaalsContact O-N 3.11Å; G436-A482 WeakPolarHBondContact CA-O 3.36Å
437	S	97.2	Very high	97.8	Very high	107 Å²	107	49.2 Å²	49.2	75%	0.748	30%	0.296	S	S	*	.	S	Bend	trans	-64.8	-10.9	174.5	59.6	0	0	0	0	114.6
438	Y	97.9	Very high	97.8	Very high	99 Å²	99	52.1 Å²	52.1	39%	0.388	30%	0.299	S	S	.	.	S	Bend	trans	-154.7	161.1	164	63.5	-79.8	0	0	0	108.8	G436 P440 S478 I479 P480	G436-Y438 PolarHBondContact N-O 2.8Å; G436-Y438 PolarHBondContact O-N 2.96Å; G436-Y438 VanDerWaalsContact O-N 3.11Å; Y438-P440 HydrophobicContact CD2-CG 4.06Å; Y438-P440 HydrophobicContact CE2-CB 4.48Å; Y438-P440 HydrophobicContact CE2-CG 3.75Å; Y438-S478 PolarHBondContact OH-OG 2.9Å; Y438-I479 PolarHBondContact OH-O 2.96Å; Y438-P480 HydrophobicContact CD1-CB 4.35Å; Y438-P480 HydrophobicContact CD1-CG 3.89Å; Y438-P480 HydrophobicContact CE1-CB 4.18Å; Y438-P480 HydrophobicContact CE1-CG 3.91Å; Y438-P480 HydrophobicContact CG-CG 4.26Å; Y438-P480 WeakPolarHBondContact O-CG 3.49Å
439	C	97	Very high	97.7	Very high	91 Å²	91	51.9 Å²	51.9	62%	0.615	30%	0.298	S	S	*	.			trans	-108	106.2	174.2	-57	0	0	0	0	108.8
440	P	96.9	Very high	97.5	Very high	18 Å²	18	51.3 Å²	51.3	12%	0.117	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-63.2	151.6	170.1	-12.6	26.5	0	0	0	110.5	A434 Y438 H442 Y477 S478	A434-P440 HydrophobicContact CB-CG 4.16Å; A434-P440 VanDerWaalsContact O-CD 3.27Å; A434-P440 WeakPolarHBondContact O-CD 3.42Å; Y438-P440 HydrophobicContact CD2-CG 4.06Å; Y438-P440 HydrophobicContact CE2-CB 4.48Å; Y438-P440 HydrophobicContact CE2-CG 3.75Å; P440-H442 PolarHBondContact O-N 2.89Å; P440-Y477 HydrophobicContact CB-CE2 4.26Å; P440-S478 WeakPolarHBondContact CB-O 3.48Å; P440-S478 WeakPolarHBondContact CG-O 3.35Å
441	Q	97.3	Very high	97.1	Very high	171 Å²	171	53 Å²	53	80%	0.799	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-56.6	137.4	175	-175.5	178.4	-7.3	0	0	110.6	Y477	Q441-Y477 VanDerWaalsContact O-CE2 3.27Å; Q441-Y477 WeakPolarHBondContact O-CE2 3.18Å; Q441-Y477 PolarHBondContact O-OH 2.72Å
442	H	97.8	Very high	96.5	Very high	86 Å²	86	51.3 Å²	51.3	40%	0.398	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-68.1	142.5	174.7	-71.5	-158.4	0	0	0	110.6	E431 I432 G433 P440	E431-H442 HydrophobicContact CG-CB 4.34Å; E431-H442 IonicContact OE1-CE1 2.77Å; E431-H442 IonicContact OE1-CG 3.74Å; E431-H442 IonicContact OE1-ND1 3.75Å; E431-H442 PolarHBondContact OE1-ND1 3.45Å; I432-H442 CarbonylContact O-C 3.52Å; I432-H442 WeakPolarHBondContact O-CA 3.18Å; G433-H442 VanDerWaalsContact CA-CD2 3.49Å; G433-H442 WeakPolarHBondContact CA-CD2 3.16Å; P440-H442 PolarHBondContact O-N 2.89Å
443	V	98.1	Very high	95.4	Very high	30 Å²	30	56.7 Å²	56.7	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.9	-177.8	-65.4	0	0	0	0	111	I432 L472 Y477	I432-V443 HydrophobicContact CB-CG2 4.02Å; I432-V443 PolarHBondContact N-O 3.03Å; I432-V443 PolarHBondContact O-N 2.92Å; V443-L472 HydrophobicContact CB-CD2 4.13Å; V443-L472 HydrophobicContact CG1-CD2 4.03Å; V443-L472 HydrophobicContact CG2-CD1 3.97Å; V443-L472 HydrophobicContact CG2-CD2 4.11Å; V443-Y477 HydrophobicContact CG1-CE2 4.11Å; V443-Y477 HydrophobicContact CG2-CD2 3.82Å; V443-Y477 HydrophobicContact CG2-CE2 3.69Å
444	T	98.4	Very high	94.1	Very high	92 Å²	92	59.2 Å²	59.2	56%	0.564	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.7	177.8	-56.5	0	0	0	0	109.9	A430	A430-T444 CarbonylContact O-C 3.6Å; A430-T444 WeakPolarHBondContact O-CA 3.35Å
445	L	98.2	Very high	92	Very high	13 Å²	13	64.6 Å²	64.6	7%	0.068	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	153	-176.5	-64.6	178	0	0	0	111.1	T429 A430 I432 I467 L469 P471 L472	T429-L445 CarbonylContact C-O 3.57Å; T429-L445 VanDerWaalsContact CA-O 3.31Å; T429-L445 WeakPolarHBondContact CA-O 3.41Å; A430-L445 PolarHBondContact N-O 2.87Å; A430-L445 PolarHBondContact O-N 2.75Å; I432-L445 HydrophobicContact CD1-CD1 3.96Å; L445-I467 HydrophobicContact CB-CG2 3.71Å; L445-I467 HydrophobicContact CD1-CG2 3.9Å; L445-I467 HydrophobicContact CG-CG2 4.47Å; L445-L469 HydrophobicContact CD1-CD2 4Å; L445-P471 HydrophobicContact CD2-CB 4.15Å; L445-P471 HydrophobicContact CD2-CG 4.33Å; L445-L472 HydrophobicContact CD1-CD1 4.12Å; L445-L472 HydrophobicContact CD1-CG 4.31Å; L445-L472 HydrophobicContact CD2-CD2 4.4Å
446	P	98.1	Very high	89.9	Confident	93 Å²	93	65.5 Å²	65.5	60%	0.604	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	150.7	170.6	29.7	-35.2	0	0	0	111
447	V	98	Very high	87.4	Confident	7 Å²	7	71.8 Å²	71.8	4%	0.042	39%	0.388	C	S	.	.			trans	-116.8	122.5	173.7	-164	0	0	0	0	109.1	F428 A430 V449 I467 L489	F428-V447 HydrophobicContact CB-CB 3.97Å; F428-V447 HydrophobicContact CB-CG2 4.4Å; F428-V447 PolarHBondContact O-N 2.92Å; A430-V447 HydrophobicContact CB-CG2 3.57Å; V447-V449 HydrophobicContact CB-CG2 4.19Å; V447-V449 HydrophobicContact CG1-CG2 3.86Å; V447-V449 PolarHBondContact O-N 2.74Å; V447-I467 HydrophobicContact CB-CG1 4.46Å; V447-I467 HydrophobicContact CG1-CG1 3.98Å; V447-I467 HydrophobicContact CG2-CG1 4.03Å; V447-L489 HydrophobicContact CB-CD1 4.41Å; V447-L489 HydrophobicContact CG1-CD1 4.4Å; V447-L489 HydrophobicContact CG2-CD1 3.82Å
448	Q	96.6	Very high	85.1	Confident	103 Å²	103	73.1 Å²	73.1	48%	0.481	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	108.9	166.8	-174.1	179	17.8	0	0	107.7	G465 V466	Q448-G465 CarbonylContact O-C 3.52Å; Q448-G465 WeakPolarHBondContact O-CA 3.43Å; Q448-V466 PolarHBondContact N-O 2.85Å; Q448-V466 PolarHBondContact O-N 3.49Å
449	V	95.6	Very high	83	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.2	179.9	173.1	0	0	0	0	109.7	Q424 I425 F428 V447 F463 L464 F575	Q424-V449 CarbonylContact C-O 3.59Å; Q424-V449 WeakPolarHBondContact CA-O 3.48Å; Q424-V449 WeakPolarHBondContact CG-O 3.44Å; I425-V449 PolarHBondContact N-O 3.2Å; F428-V449 HydrophobicContact CB-CG2 3.81Å; F428-V449 HydrophobicContact CD1-CG2 3.86Å; F428-V449 HydrophobicContact CD2-CB 3.95Å; F428-V449 HydrophobicContact CD2-CG1 4.4Å; F428-V449 HydrophobicContact CD2-CG2 3.7Å; F428-V449 HydrophobicContact CE1-CG2 4.24Å; F428-V449 HydrophobicContact CE2-CB 4.11Å; F428-V449 HydrophobicContact CE2-CG1 4.05Å; F428-V449 HydrophobicContact CE2-CG2 4.1Å; F428-V449 HydrophobicContact CG-CB 4.33Å; F428-V449 HydrophobicContact CG-CG2 3.55Å; F428-V449 HydrophobicContact CZ-CG1 4.23Å; F428-V449 HydrophobicContact CZ-CG2 4.34Å; V447-V449 HydrophobicContact CB-CG2 4.19Å; V447-V449 HydrophobicContact CG1-CG2 3.86Å; V447-V449 PolarHBondContact O-N 2.74Å; V449-F463 HydrophobicContact CG1-CB 4.21Å; V449-F463 HydrophobicContact CG1-CD1 3.81Å; V449-F463 HydrophobicContact CG1-CG 4.49Å; V449-L464 WeakPolarHBondContact CA-O 2.78Å; V449-F575 HydrophobicContact CG1-CE1 4.46Å; V449-F575 HydrophobicContact CG1-CZ 3.81Å; V449-F575 HydrophobicContact CG2-CE1 4.41Å; V449-F575 HydrophobicContact CG2-CZ 4.06Å
450	T	93.5	Very high	81.1	Confident	16 Å²	16	68 Å²	68	10%	0.098	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	156.2	168.6	59.7	0	0	0	0	111.2	P421 G423 Q424 F463 L464	P421-T450 HydrophobicContact CB-CG2 4.01Å; P421-T450 HydrophobicContact CG-CG2 4.33Å; G423-T450 VanDerWaalsContact O-CA 3.27Å; G423-T450 WeakPolarHBondContact O-CA 3.43Å; G423-T450 WeakPolarHBondContact O-CB 3.36Å; Q424-T450 HydrophobicContact CB-CG2 4.37Å; T450-F463 CarbonylContact O-C 3.59Å; T450-F463 WeakPolarHBondContact O-CA 3.45Å; T450-L464 PolarHBondContact N-O 2.82Å; T450-L464 PolarHBondContact O-N 2.82Å
451	Y	89.7	Confident	79.2	Confident	35 Å²	35	69.1 Å²	69.1	14%	0.137	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.1	175.8	69.9	-95.6	0	0	0	111.8	L352 S422 G423 I425 F463	L352-Y451 HydrophobicContact CD2-CD1 4.47Å; L352-Y451 HydrophobicContact CD2-CE1 3.79Å; L352-Y451 HydrophobicContact CD2-CE2 4.1Å; S422-Y451 PolarHBondContact N-O 2.89Å; S422-Y451 PolarHBondContact O-OH 3.07Å; G423-Y451 VanDerWaalsContact CA-CE1 3.45Å; G423-Y451 PolarHBondContact O-N 3.12Å; I425-Y451 HydrophobicContact CD1-CD1 4.27Å; I425-Y451 HydrophobicContact CG1-CD1 4.15Å; I425-Y451 HydrophobicContact CG1-CE1 4.49Å; Y451-F463 HydrophobicContact CD1-CE1 4.5Å; Y451-F463 HydrophobicContact CG-CE1 4.21Å
452	Y	85.3	Confident	78.5	Confident	15 Å²	15	61.5 Å²	61.5	6%	0.059	35%	0.353	C	S	.	.			trans	-124.4	119	-177.7	-66.4	-92.2	0	0	0	110	I414 F419 S420 P421 S461 P462 L464	I414-Y452 HydrophobicContact CD1-CD2 3.37Å; I414-Y452 HydrophobicContact CD1-CE2 3.61Å; I414-Y452 HydrophobicContact CD1-CG 3.88Å; I414-Y452 HydrophobicContact CG1-CD2 4.1Å; I414-Y452 HydrophobicContact CG1-CE2 3.8Å; F419-Y452 HydrophobicContact CB-CD1 4.02Å; F419-Y452 HydrophobicContact CB-CE1 3.54Å; F419-Y452 WeakPolarHBondContact O-CE1 3.45Å; F419-Y452 PolarHBondContact O-OH 3.01Å; S420-Y452 WeakPolarHBondContact O-CE1 3.39Å; P421-Y452 HydrophobicContact CB-CE1 4.15Å; Y452-S461 WeakPolarHBondContact O-CB 3.46Å; Y452-P462 PolarHBondContact N-O 3.18Å; Y452-L464 HydrophobicContact CE2-CB 3.92Å; Y452-L464 HydrophobicContact CE2-CD2 4.29Å
453	D	76.7	Confident	78.2	Confident	113 Å²	113	57.6 Å²	57.6	60%	0.604	34%	0.335	S	S	*	.			trans	-80.8	120.6	168.1	-170.9	13.9	0	0	0	109.1	S422	S422-D453 WeakPolarHBondContact OG-CB 3.49Å; S422-D453 PolarHBondContact OG-N 2.99Å
454	I	69.9	Low	78	Confident	55 Å²	55	56.5 Å²	56.5	28%	0.282	33%	0.328	S	S	.	.			trans	-115.2	94.1	-177.6	-54.9	178.5	0	0	0	106.3	F410 E456 P462	F410-I454 HydrophobicContact CE1-CD1 4.32Å; F410-I454 HydrophobicContact CE2-CD1 4.02Å; F410-I454 HydrophobicContact CZ-CD1 3.58Å; I454-E456 PolarHBondContact O-N 2.64Å; I454-P462 HydrophobicContact CD1-CG 3.84Å
455	S	54.2	Low	77.9	Confident	117 Å²	117	52.1 Å²	52.1	82%	0.818	30%	0.301	S	S	*	.			trans	-73.9	22	-166.7	52	0	0	0	0	115.8
456	E	53.6	Low	77.9	Confident	79 Å²	79	53 Å²	53	37%	0.369	31%	0.306	S	S	.	.	S	Bend	trans	-127.5	100.8	177.3	-72.5	-173.1	129.5	0	0	111.5	R404 I454	R404-E456 WeakPolarHBondContact CD-OE2 3.47Å; R404-E456 IonicContact CZ-OE1 2.74Å; R404-E456 VanDerWaalsContact CZ-OE1 3.3Å; R404-E456 IonicContact CZ-OE2 3.3Å; R404-E456 VanDerWaalsContact NE-CD 3.25Å; R404-E456 IonicContact NE-OE1 3.61Å; R404-E456 PolarHBondContact NE-OE1 2.98Å; R404-E456 VanDerWaalsContact NE-OE1 3.11Å; R404-E456 IonicContact NE-OE2 3.11Å; R404-E456 PolarHBondContact NE-OE2 3.06Å; R404-E456 IonicContact NH2-OE1 3.79Å; R404-E456 PolarHBondContact NH2-OE1 3.29Å; R404-E456 IonicContact NH2-OE2 2.67Å; I454-E456 PolarHBondContact O-N 2.64Å
457	H	45.4	Very low	77.9	Confident	168 Å²	168	48.5 Å²	48.5	78%	0.778	28%	0.277	S	S	*	.	S	Bend	trans	58.8	90.4	159	-52	-71.6	0	0	0	118	A459	H457-A459 PolarHBondContact O-N 2.7Å
458	S	48.5	Very low	77.8	Confident	135 Å²	135	50.8 Å²	50.8	94%	0.944	29%	0.293	S	S	*	.	S	Bend	trans	60.9	-5.1	153.9	-51	0	0	0	0	119
459	A	54.7	Low	77.8	Confident	45 Å²	45	46 Å²	46	37%	0.372	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-67	134.5	173.9	0	0	0	0	0	110.8	H457 S461	H457-A459 PolarHBondContact O-N 2.7Å; A459-S461 PolarHBondContact O-N 3.15Å
460	P	56.1	Low	77.8	Confident	38 Å²	38	53.3 Å²	53.3	25%	0.247	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-67.2	125.8	178.7	27.2	-33.9	0	0	0	110.6	P462 I580	P460-P462 WeakPolarHBondContact O-CD 3.33Å; P460-P462 VanDerWaalsContact O-N 3.14Å; P460-I580 HydrophobicContact CG-CD1 4.42Å
461	S	58.2	Low	77.9	Confident	40 Å²	40	57 Å²	57	28%	0.28	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-47.7	118.4	175.3	-47.8	0	0	0	0	110.6	Y452 A459 F463	Y452-S461 WeakPolarHBondContact O-CB 3.46Å; A459-S461 PolarHBondContact O-N 3.15Å; S461-F463 WeakPolarHBondContact O-CD2 3.27Å; S461-F463 WeakPolarHBondContact O-CE2 3.13Å
462	P	82.8	Confident	78.1	Confident	12 Å²	12	58.1 Å²	58.1	8%	0.078	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	141.9	-177.3	30.9	-33.3	0	0	0	111.4	F410 I414 Y452 I454 P460 L574	F410-P462 HydrophobicContact CE1-CG 4.46Å; F410-P462 HydrophobicContact CZ-CG 4.26Å; I414-P462 HydrophobicContact CD1-CB 4.33Å; I414-P462 HydrophobicContact CD1-CG 3.88Å; Y452-P462 PolarHBondContact N-O 3.18Å; I454-P462 HydrophobicContact CD1-CG 3.84Å; P460-P462 WeakPolarHBondContact O-CD 3.33Å; P460-P462 VanDerWaalsContact O-N 3.14Å; P462-L574 HydrophobicContact CB-CD1 4.04Å; P462-L574 HydrophobicContact CB-CD2 4.43Å; P462-L574 HydrophobicContact CB-CG 4.17Å
463	F	90.8	Very high	78.5	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.4	173.4	-67	-96.3	0	0	0	108.4	I425 V449 T450 Y451 S461 L574 F575 R577	I425-F463 HydrophobicContact CD1-CD1 4.31Å; I425-F463 HydrophobicContact CD1-CE1 3.78Å; V449-F463 HydrophobicContact CG1-CB 4.21Å; V449-F463 HydrophobicContact CG1-CD1 3.81Å; V449-F463 HydrophobicContact CG1-CG 4.49Å; T450-F463 CarbonylContact O-C 3.59Å; T450-F463 WeakPolarHBondContact O-CA 3.45Å; Y451-F463 HydrophobicContact CD1-CE1 4.5Å; Y451-F463 HydrophobicContact CG-CE1 4.21Å; S461-F463 WeakPolarHBondContact O-CD2 3.27Å; S461-F463 WeakPolarHBondContact O-CE2 3.13Å; F463-L574 VanDerWaalsContact O-CA 3.32Å; F463-L574 WeakPolarHBondContact O-CA 3.46Å; F463-F575 HydrophobicContact CB-CD1 3.87Å; F463-F575 HydrophobicContact CB-CD2 3.75Å; F463-F575 HydrophobicContact CB-CE1 3.61Å; F463-F575 HydrophobicContact CB-CE2 3.49Å; F463-F575 VanDerWaalsContact CB-CE2 3.49Å; F463-F575 HydrophobicContact CB-CG 3.94Å; F463-F575 HydrophobicContact CB-CZ 3.43Å; F463-F575 VanDerWaalsContact CB-CZ 3.43Å; F463-F575 WeakPolarHBondContact CB-O 3.23Å; F463-F575 HydrophobicContact CD1-CE2 4.4Å; F463-F575 WeakPolarHBondContact CD2-O 3.12Å; F463-F575 HydrophobicContact CG-CD2 4.21Å; F463-F575 AromaticContact CG-CE2 3.85Å; F463-F575 HydrophobicContact CG-CE2 3.85Å; F463-F575 HydrophobicContact CG-CZ 4.14Å; F463-F575 PolarHBondContact N-O 3.46Å; F463-F575 PolarHBondContact O-N 3.35Å; F463-F575 VanDerWaalsContact O-N 3.1Å; F463-R577 HydrophobicContact CD2-CB 4.31Å; F463-R577 HydrophobicContact CD2-CG 4.39Å; F463-R577 HydrophobicContact CE1-CG 4.42Å; F463-R577 HydrophobicContact CE2-CB 3.49Å; F463-R577 VanDerWaalsContact CE2-CB 3.49Å; F463-R577 HydrophobicContact CE2-CG 3.5Å; F463-R577 HydrophobicContact CZ-CB 4.03Å; F463-R577 HydrophobicContact CZ-CG 3.54Å; F463-R577 VanDerWaalsContact CZ-CZ 3.42Å
464	L	94.4	Very high	79.1	Confident	7 Å²	7	64 Å²	64	4%	0.037	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	104.7	172.4	180	65.6	0	0	0	108.2	I414 L415 V449 T450 Y452 V466 R572 L573 L574	I414-L464 HydrophobicContact CG1-CB 4.44Å; I414-L464 HydrophobicContact CG1-CD2 4.24Å; I414-L464 WeakPolarHBondContact O-CD2 2.94Å; L415-L464 HydrophobicContact CD2-CD1 4.31Å; V449-L464 WeakPolarHBondContact CA-O 2.78Å; T450-L464 PolarHBondContact N-O 2.82Å; T450-L464 PolarHBondContact O-N 2.82Å; Y452-L464 HydrophobicContact CE2-CB 3.92Å; Y452-L464 HydrophobicContact CE2-CD2 4.29Å; L464-V466 HydrophobicContact CD2-CG2 4.44Å; L464-V466 HydrophobicContact CG-CG2 4.14Å; L464-R572 HydrophobicContact CD1-CB 4.31Å; L464-L573 CarbonylContact C-O 3.53Å; L464-L573 WeakPolarHBondContact CA-O 3.5Å; L464-L574 HydrophobicContact CD1-CD1 4.48Å
465	G	95.9	Very high	80.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.3	168.6	0	0	0	0	0	110.6	Q448 R572 L573	Q448-G465 CarbonylContact O-C 3.52Å; Q448-G465 WeakPolarHBondContact O-CA 3.43Å; G465-R572 CarbonylContact O-C 3.55Å; G465-R572 WeakPolarHBondContact O-CA 3.48Å; G465-L573 PolarHBondContact N-O 3.31Å; G465-L573 PolarHBondContact O-N 2.8Å
466	V	97.2	Very high	82.1	Confident	30 Å²	30	62.1 Å²	62.1	18%	0.182	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.9	173.1	-173.5	0	0	0	0	109.3	Q448 L464 D570 R572	Q448-V466 PolarHBondContact N-O 2.85Å; Q448-V466 PolarHBondContact O-N 3.49Å; L464-V466 HydrophobicContact CD2-CG2 4.44Å; L464-V466 HydrophobicContact CG-CG2 4.14Å; V466-D570 HydrophobicContact CG1-CB 4.12Å; V466-R572 HydrophobicContact CG2-CG 4.46Å
467	I	97.9	Very high	84.2	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	109.8	176.7	-44.7	169	0	0	0	107.7	A430 I432 L445 V447 V487 D570 I571 L573	A430-I467 HydrophobicContact CB-CD1 3.5Å; A430-I467 HydrophobicContact CB-CG1 4.27Å; I432-I467 HydrophobicContact CD1-CG2 4.25Å; L445-I467 HydrophobicContact CB-CG2 3.71Å; L445-I467 HydrophobicContact CD1-CG2 3.9Å; L445-I467 HydrophobicContact CG-CG2 4.47Å; V447-I467 HydrophobicContact CB-CG1 4.46Å; V447-I467 HydrophobicContact CG1-CG1 3.98Å; V447-I467 HydrophobicContact CG2-CG1 4.03Å; I467-V487 HydrophobicContact CD1-CG1 4.21Å; I467-D570 CarbonylContact O-C 3.56Å; I467-D570 WeakPolarHBondContact O-CA 3.26Å; I467-D570 WeakPolarHBondContact O-CB 3.4Å; I467-I571 HydrophobicContact CB-CB 4.24Å; I467-I571 HydrophobicContact CD1-CB 4.14Å; I467-I571 HydrophobicContact CD1-CG2 4.24Å; I467-I571 HydrophobicContact CG1-CB 4.45Å; I467-I571 PolarHBondContact N-O 2.98Å; I467-I571 PolarHBondContact O-N 3.02Å; I467-L573 HydrophobicContact CD1-CD1 4.1Å; I467-L573 HydrophobicContact CD1-CG 4.49Å
468	S	97.3	Very high	86.7	Confident	54 Å²	54	52.7 Å²	52.7	38%	0.378	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	130.8	173.2	-179.5	0	0	0	0	110.2	E470 P471	S468-E470 WeakPolarHBondContact OG-CB 3.26Å; S468-E470 PolarHBondContact OG-N 2.83Å; S468-P471 WeakPolarHBondContact O-CD 3.37Å
469	L	97.1	Very high	89.1	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.016	26%	0.262	C	S	.	.			trans	-93	2	175.9	-57.9	178.6	0	0	0	112.7	I432 L445 P471 L472 L567 N569 I571	I432-L469 HydrophobicContact CD1-CD2 3.72Å; L445-L469 HydrophobicContact CD1-CD2 4Å; L469-P471 VanDerWaalsContact C-CD 3.42Å; L469-L472 HydrophobicContact CD2-CD1 4.14Å; L469-L472 WeakPolarHBondContact O-CB 3.04Å; L469-L472 PolarHBondContact O-N 2.91Å; L469-L472 VanDerWaalsContact O-N 3.1Å; L469-L567 HydrophobicContact CD1-CB 3.62Å; L469-N569 WeakPolarHBondContact CB-O 3.44Å; L469-N569 PolarHBondContact N-O 3.42Å; L469-I571 HydrophobicContact CD1-CG1 4.19Å; L469-I571 HydrophobicContact CD2-CD1 4.26Å; L469-I571 HydrophobicContact CD2-CG1 4.32Å
470	E	94.6	Very high	91.1	Very high	154 Å²	154	44.2 Å²	44.2	72%	0.72	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-54.7	-38.5	176.6	-179.1	174.9	-153.3	0	0	114.7	S468 L472 G473	S468-E470 WeakPolarHBondContact OG-CB 3.26Å; S468-E470 PolarHBondContact OG-N 2.83Å; E470-L472 PolarHBondContact O-N 2.75Å; E470-G473 WeakPolarHBondContact O-CA 3.26Å; E470-G473 PolarHBondContact O-N 2.74Å
471	P	95	Very high	93.1	Very high	94 Å²	94	46.8 Å²	46.8	61%	0.61	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-61.4	-16	176.7	-24.7	36.3	0	0	0	114.3	L445 S468 L469 G473	L445-P471 HydrophobicContact CD2-CB 4.15Å; L445-P471 HydrophobicContact CD2-CG 4.33Å; S468-P471 WeakPolarHBondContact O-CD 3.37Å; L469-P471 VanDerWaalsContact C-CD 3.42Å; P471-G473 VanDerWaalsContact C-N 3.3Å
472	L	94.4	Very high	95	Very high	57 Å²	57	46.6 Å²	46.6	30%	0.298	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-90.2	4.4	175.4	-48.8	177	0	0	0	112.4	V443 L445 L469 E470 Y477	V443-L472 HydrophobicContact CB-CD2 4.13Å; V443-L472 HydrophobicContact CG1-CD2 4.03Å; V443-L472 HydrophobicContact CG2-CD1 3.97Å; V443-L472 HydrophobicContact CG2-CD2 4.11Å; L445-L472 HydrophobicContact CD1-CD1 4.12Å; L445-L472 HydrophobicContact CD1-CG 4.31Å; L445-L472 HydrophobicContact CD2-CD2 4.4Å; L469-L472 HydrophobicContact CD2-CD1 4.14Å; L469-L472 WeakPolarHBondContact O-CB 3.04Å; L469-L472 PolarHBondContact O-N 2.91Å; L469-L472 VanDerWaalsContact O-N 3.1Å; E470-L472 PolarHBondContact O-N 2.75Å; L472-Y477 HydrophobicContact CD1-CD2 3.97Å; L472-Y477 HydrophobicContact CD1-CG 4.24Å
473	G	92.8	Very high	95.7	Very high	36 Å²	36	47 Å²	47	37%	0.371	26%	0.259	S	S	.	.			trans	89.4	171.9	-180	0	0	0	0	0	114.2	E470 P471 K475 G476	E470-G473 WeakPolarHBondContact O-CA 3.26Å; E470-G473 PolarHBondContact O-N 2.74Å; P471-G473 VanDerWaalsContact C-N 3.3Å; G473-K475 PolarHBondContact O-N 3.09Å; G473-G476 PolarHBondContact O-N 2.79Å
474	K	90.1	Very high	96.1	Very high	216 Å²	216	48.7 Å²	48.7	94%	0.939	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-3.8	-169.8	-57.7	-173.8	-179.7	-175.1	0	116.9
475	K	91.3	Very high	96.3	Very high	121 Å²	121	48.4 Å²	48.4	53%	0.526	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-15.5	174.6	-65.1	178.7	-177.3	169.9	0	113.2	G473 Q558 Y566	G473-K475 PolarHBondContact O-N 3.09Å; K475-Q558 PolarHBondContact O-NE2 3.33Å; K475-Y566 HydrophobicContact CB-CD1 3.72Å; K475-Y566 HydrophobicContact CB-CE1 3.83Å; K475-Y566 HydrophobicContact CB-CG 4.16Å; K475-Y566 HydrophobicContact CD-CE1 4.03Å; K475-Y566 HydrophobicContact CD-CE2 4.32Å; K475-Y566 WeakPolarHBondContact O-CB 3.47Å
476	G	95.9	Very high	96.4	Very high	11 Å²	11	51 Å²	51	11%	0.113	28%	0.28	C	S	.	.			trans	68.1	-160.5	-168.8	0	0	0	0	0	113.1	G473 S478 L567	G473-G476 PolarHBondContact O-N 2.79Å; G476-S478 PolarHBondContact O-N 2.72Å; G476-L567 CarbonylContact C-O 3.52Å; G476-L567 VanDerWaalsContact CA-O 3.25Å; G476-L567 WeakPolarHBondContact CA-O 3.44Å
477	Y	97.9	Very high	96.4	Very high	13 Å²	13	49.6 Å²	49.6	5%	0.051	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	119.6	-170.4	-170.3	-122.1	0	0	0	112.2	I432 A434 P440 Q441 V443 L472 I479 Y566 L567	I432-Y477 HydrophobicContact CG2-CD1 3.9Å; I432-Y477 HydrophobicContact CG2-CE1 3.83Å; A434-Y477 HydrophobicContact CB-CE1 3.99Å; P440-Y477 HydrophobicContact CB-CE2 4.26Å; Q441-Y477 VanDerWaalsContact O-CE2 3.27Å; Q441-Y477 WeakPolarHBondContact O-CE2 3.18Å; Q441-Y477 PolarHBondContact O-OH 2.72Å; V443-Y477 HydrophobicContact CG1-CE2 4.11Å; V443-Y477 HydrophobicContact CG2-CD2 3.82Å; V443-Y477 HydrophobicContact CG2-CE2 3.69Å; L472-Y477 HydrophobicContact CD1-CD2 3.97Å; L472-Y477 HydrophobicContact CD1-CG 4.24Å; Y477-I479 HydrophobicContact CD1-CG2 3.5Å; Y477-I479 HydrophobicContact CE1-CG2 3.8Å; Y477-I479 HydrophobicContact CG-CG2 4.46Å; Y477-Y566 CarbonylContact O-C 3.58Å; Y477-Y566 WeakPolarHBondContact O-CA 3.31Å; Y477-L567 HydrophobicContact CD1-CD1 4.23Å; Y477-L567 PolarHBondContact N-O 3.48Å; Y477-L567 PolarHBondContact O-N 3.47Å
478	S	97.6	Very high	96.4	Very high	36 Å²	36	49.8 Å²	49.8	25%	0.252	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.4	178.5	-168.4	0	0	0	0	111.1	Y438 P440 G476 Y566	Y438-S478 PolarHBondContact OH-OG 2.9Å; P440-S478 WeakPolarHBondContact CB-O 3.48Å; P440-S478 WeakPolarHBondContact CG-O 3.35Å; G476-S478 PolarHBondContact O-N 2.72Å; S478-Y566 VanDerWaalsContact CA-CD1 3.5Å
479	I	98.3	Very high	96.5	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	163.2	-177.2	61.3	169.6	0	0	0	112.5	A434 Y438 Y477 I485 Y504 F557 I565 L567	A434-I479 HydrophobicContact CB-CB 4.36Å; A434-I479 HydrophobicContact CB-CG2 3.78Å; Y438-I479 PolarHBondContact OH-O 2.96Å; Y477-I479 HydrophobicContact CD1-CG2 3.5Å; Y477-I479 HydrophobicContact CE1-CG2 3.8Å; Y477-I479 HydrophobicContact CG-CG2 4.46Å; I479-I485 HydrophobicContact CD1-CD1 3.94Å; I479-Y504 HydrophobicContact CD1-CE2 3.96Å; I479-F557 HydrophobicContact CD1-CD1 3.76Å; I479-F557 HydrophobicContact CD1-CE1 3.55Å; I479-I565 HydrophobicContact CD1-CG2 3.92Å; I479-I565 HydrophobicContact CG1-CB 4.05Å; I479-I565 HydrophobicContact CG1-CG2 3.85Å; I479-I565 PolarHBondContact N-O 3.43Å; I479-L567 HydrophobicContact CD1-CD2 4.37Å; I479-L567 HydrophobicContact CD1-CG 4.28Å
480	P	98.2	Very high	96.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.262	C	S	.	.			trans	-54.2	166.5	167.9	-28.9	36.9	0	0	0	114.3	Y438 A482 Y504	Y438-P480 HydrophobicContact CD1-CB 4.35Å; Y438-P480 HydrophobicContact CD1-CG 3.89Å; Y438-P480 HydrophobicContact CE1-CB 4.18Å; Y438-P480 HydrophobicContact CE1-CG 3.91Å; Y438-P480 HydrophobicContact CG-CG 4.26Å; Y438-P480 WeakPolarHBondContact O-CG 3.49Å; P480-A482 VanDerWaalsContact C-N 3.34Å; P480-A482 WeakPolarHBondContact CB-O 3.17Å; P480-Y504 WeakPolarHBondContact CD-OH 3.46Å; P480-Y504 WeakPolarHBondContact O-CE2 3.38Å; P480-Y504 PolarHBondContact O-OH 3.2Å
481	K	97.5	Very high	96.5	Very high	91 Å²	91	42 Å²	42	40%	0.396	23%	0.23	S	C	.	.	S	Bend	trans	-71.8	-29.1	171.3	-85.5	-171.3	159.9	-149.4	0	112.9	F506 G507 G563 I565	K481-F506 CarbonylContact O-C 3.6Å; K481-F506 WeakPolarHBondContact O-CA 3.35Å; K481-F506 PolarHBondContact O-N 3.41Å; K481-G507 PolarHBondContact NZ-O 2.78Å; K481-G507 VanDerWaalsContact NZ-O 3.13Å; K481-G563 VanDerWaalsContact CE-O 3.26Å; K481-G563 WeakPolarHBondContact CE-O 3.45Å; K481-I565 HydrophobicContact CG-CG1 3.96Å
482	A	98.3	Very high	96.5	Very high	36 Å²	36	39.2 Å²	39.2	30%	0.298	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	153	177.3	0	0	0	0	0	109.6	G436 P480 Y504 N505	G436-A482 WeakPolarHBondContact CA-O 3.36Å; P480-A482 VanDerWaalsContact C-N 3.34Å; P480-A482 WeakPolarHBondContact CB-O 3.17Å; A482-Y504 WeakPolarHBondContact CA-O 3.34Å; A482-N505 HydrophobicContact CB-CB 4.03Å
483	G	97.9	Very high	96.5	Very high	22 Å²	22	41.2 Å²	41.2	23%	0.227	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.5	-137.5	-179.7	0	0	0	0	0	111.6	S435 T503 Y504	S435-G483 WeakPolarHBondContact O-CA 3.31Å; G483-T503 WeakPolarHBondContact O-CA 3.35Å; G483-Y504 VanDerWaalsContact C-CE1 3.42Å; G483-Y504 PolarHBondContact N-O 2.91Å; G483-Y504 VanDerWaalsContact O-CD1 3.29Å; G483-Y504 WeakPolarHBondContact O-CD1 3.19Å; G483-Y504 PolarHBondContact O-N 2.82Å
484	T	98.2	Very high	96.5	Very high	38 Å²	38	44.7 Å²	44.7	23%	0.233	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.1	-173.9	-49.5	0	0	0	0	111	A434 S435 L501 V502 T503	A434-T484 CarbonylContact C-O 3.59Å; A434-T484 WeakPolarHBondContact CA-O 3.25Å; S435-T484 PolarHBondContact N-O 2.9Å; S435-T484 PolarHBondContact O-N 3.06Å; T484-L501 HydrophobicContact CG2-CD1 3.48Å; T484-L501 VanDerWaalsContact CG2-CD1 3.48Å; T484-L501 HydrophobicContact CG2-CG 3.69Å; T484-V502 CarbonylContact C-O 3.41Å; T484-V502 WeakPolarHBondContact CA-O 3.36Å; T484-T503 HydrophobicContact CG2-CG2 4.33Å
485	I	98.4	Very high	96.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.7	168.7	-75.4	156.2	0	0	0	108.5	A434 I479 V487 V502 Y504 L555 F557 L567	A434-I485 HydrophobicContact CB-CG1 4.27Å; I479-I485 HydrophobicContact CD1-CD1 3.94Å; I485-V487 HydrophobicContact CG2-CG2 3.93Å; I485-V502 PolarHBondContact N-O 3.18Å; I485-V502 PolarHBondContact O-N 2.82Å; I485-Y504 HydrophobicContact CD1-CD1 3.92Å; I485-Y504 HydrophobicContact CD1-CE1 3.86Å; I485-Y504 HydrophobicContact CG1-CD1 4.1Å; I485-Y504 HydrophobicContact CG1-CE1 3.72Å; I485-L555 HydrophobicContact CB-CD1 4.46Å; I485-L555 HydrophobicContact CD1-CD1 4Å; I485-L555 HydrophobicContact CG2-CD1 4.19Å; I485-L555 HydrophobicContact CG2-CD2 4.48Å; I485-F557 HydrophobicContact CD1-CE1 3.67Å; I485-F557 HydrophobicContact CD1-CZ 3.79Å; I485-L567 HydrophobicContact CD1-CD1 4.11Å; I485-L567 HydrophobicContact CD1-CD2 3.96Å; I485-L567 HydrophobicContact CD1-CG 4.32Å
486	Q	98.2	Very high	97	Very high	54 Å²	54	36.2 Å²	36.2	25%	0.252	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.8	170.3	-173.8	179	-59.1	0	0	108.7	G433 M499 F500 L501	G433-Q486 PolarHBondContact N-O 3.38Å; G433-Q486 PolarHBondContact O-N 2.83Å; Q486-M499 HydrophobicContact CG-CG 4.11Å; Q486-M499 HydrophobicContact CG-SD 4.27Å; Q486-F500 WeakPolarHBondContact CA-O 3.34Å; Q486-L501 HydrophobicContact CB-CD1 4.39Å
487	V	98.4	Very high	96.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	113.6	168.7	-179.5	0	0	0	0	109.2	A430 E431 I432 I467 I485 F500 I553 I571	A430-V487 HydrophobicContact CB-CG1 4.35Å; E431-V487 CarbonylContact O-C 3.52Å; E431-V487 WeakPolarHBondContact O-CA 3.19Å; I432-V487 HydrophobicContact CG1-CG2 4.41Å; I432-V487 HydrophobicContact CG2-CG2 4.43Å; I467-V487 HydrophobicContact CD1-CG1 4.21Å; I485-V487 HydrophobicContact CG2-CG2 3.93Å; V487-F500 HydrophobicContact CB-CB 4.48Å; V487-F500 PolarHBondContact N-O 2.9Å; V487-F500 PolarHBondContact O-N 2.63Å; V487-I553 HydrophobicContact CB-CD1 3.81Å; V487-I553 HydrophobicContact CG1-CD1 4.3Å; V487-I553 HydrophobicContact CG2-CD1 3.7Å; V487-I571 HydrophobicContact CG2-CD1 4.37Å
488	T	98.3	Very high	96.6	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.025	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	108.7	177.1	-47.5	0	0	0	0	108.8	A430 E431 F490 V496 M499	A430-T488 CarbonylContact C-O 3.4Å; A430-T488 VanDerWaalsContact CA-O 3.24Å; A430-T488 WeakPolarHBondContact CA-O 3.49Å; E431-T488 PolarHBondContact N-O 2.9Å; E431-T488 PolarHBondContact O-N 3.15Å; T488-F490 HydrophobicContact CG2-CD2 4.25Å; T488-F490 HydrophobicContact CG2-CE1 4.02Å; T488-F490 HydrophobicContact CG2-CE2 3.6Å; T488-F490 HydrophobicContact CG2-CZ 3.48Å; T488-F490 VanDerWaalsContact CG2-CZ 3.48Å; T488-F490 VanDerWaalsContact O-CD2 3.29Å; T488-F490 WeakPolarHBondContact O-CD2 3.41Å; T488-F490 WeakPolarHBondContact O-CE2 3.46Å; T488-V496 HydrophobicContact CG2-CB 4.46Å; T488-V496 HydrophobicContact CG2-CG1 3.85Å; T488-V496 HydrophobicContact CG2-CG2 3.84Å; T488-M499 HydrophobicContact CG2-CE 4.42Å
489	L	97.4	Very high	96.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.7	173.9	178.6	64.1	0	0	0	110	F428 A430 V447 V497 K498 L573 F575	F428-L489 HydrophobicContact CD1-CD1 4.02Å; F428-L489 HydrophobicContact CD1-CG 4.41Å; A430-L489 HydrophobicContact CB-CD1 4.49Å; V447-L489 HydrophobicContact CB-CD1 4.41Å; V447-L489 HydrophobicContact CG1-CD1 4.4Å; V447-L489 HydrophobicContact CG2-CD1 3.82Å; L489-V497 HydrophobicContact CB-CB 4.5Å; L489-V497 HydrophobicContact CD2-CB 4.14Å; L489-V497 HydrophobicContact CD2-CG1 4.2Å; L489-V497 HydrophobicContact CG-CB 4.13Å; L489-V497 HydrophobicContact CG-CG2 4.45Å; L489-V497 PolarHBondContact O-N 3.27Å; L489-K498 PolarHBondContact N-O 3.35Å; L489-K498 PolarHBondContact O-N 3.02Å; L489-L573 HydrophobicContact CB-CD1 4.23Å; L489-L573 HydrophobicContact CD1-CD1 4.02Å; L489-L573 HydrophobicContact CD2-CD1 4.13Å; L489-L573 HydrophobicContact CG-CD1 4.36Å; L489-F575 HydrophobicContact CD2-CD1 3.74Å; L489-F575 HydrophobicContact CD2-CD2 4.29Å; L489-F575 HydrophobicContact CD2-CE1 3.56Å; L489-F575 HydrophobicContact CD2-CE2 4.12Å; L489-F575 HydrophobicContact CD2-CG 4.11Å; L489-F575 HydrophobicContact CD2-CZ 3.75Å
490	F	97.1	Very high	96.5	Very high	38 Å²	38	41.8 Å²	41.8	17%	0.167	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.4	175.7	-57.5	-94.9	0	0	0	111.7	F428 T429 E431 T488 K494 T495 V496	F428-F490 WeakPolarHBondContact CA-O 3.47Å; F428-F490 VanDerWaalsContact CD1-O 3.26Å; F428-F490 WeakPolarHBondContact CD1-O 3.32Å; T429-F490 PolarHBondContact N-O 2.85Å; T429-F490 WeakPolarHBondContact O-CA 3.32Å; T429-F490 WeakPolarHBondContact O-CB 3.44Å; T429-F490 PolarHBondContact O-N 2.86Å; E431-F490 HydrophobicContact CB-CE2 3.8Å; T488-F490 HydrophobicContact CG2-CD2 4.25Å; T488-F490 HydrophobicContact CG2-CE1 4.02Å; T488-F490 HydrophobicContact CG2-CE2 3.6Å; T488-F490 HydrophobicContact CG2-CZ 3.48Å; T488-F490 VanDerWaalsContact CG2-CZ 3.48Å; T488-F490 VanDerWaalsContact O-CD2 3.29Å; T488-F490 WeakPolarHBondContact O-CD2 3.41Å; T488-F490 WeakPolarHBondContact O-CE2 3.46Å; F490-K494 WeakPolarHBondContact CD1-O 3.25Å; F490-T495 CarbonylContact C-O 3.5Å; F490-T495 VanDerWaalsContact CA-O 3.3Å; F490-T495 WeakPolarHBondContact CA-O 3.27Å; F490-V496 HydrophobicContact CD1-CG2 3.89Å; F490-V496 HydrophobicContact CE1-CG2 3.57Å; F490-V496 HydrophobicContact CZ-CG2 4.36Å
491	N	94.6	Very high	96.4	Very high	9 Å²	9	47 Å²	47	5%	0.048	25%	0.254	C	S	.	.			trans	-75.7	176.9	172.4	75.4	4.1	0	0	0	111.6	W348 F428 N493 K494 T495 V497	W348-N491 HydrophobicContact CH2-CB 3.23Å; W348-N491 HydrophobicContact CZ2-CB 3.89Å; W348-N491 HydrophobicContact CZ3-CB 3.92Å; F428-N491 HydrophobicContact CE1-CB 4.5Å; N491-N493 VanDerWaalsContact C-N 3.27Å; N491-N493 PolarHBondContact O-N 2.85Å; N491-N493 VanDerWaalsContact OD1-CA 3.3Å; N491-N493 WeakPolarHBondContact OD1-CA 3.46Å; N491-N493 WeakPolarHBondContact OD1-CB 3.41Å; N491-N493 PolarHBondContact OD1-N 3.1Å; N491-K494 WeakPolarHBondContact O-CA 3.45Å; N491-K494 PolarHBondContact O-N 2.91Å; N491-K494 PolarHBondContact OD1-N 2.79Å; N491-T495 PolarHBondContact N-O 3.35Å; N491-T495 WeakPolarHBondContact ND2-CB 3.42Å; N491-T495 PolarHBondContact ND2-OG1 2.85Å; N491-T495 WeakPolarHBondContact OD1-CB 3.35Å; N491-T495 PolarHBondContact OD1-N 2.97Å; N491-T495 PolarHBondContact OD1-O 3.42Å; N491-T495 PolarHBondContact OD1-OG1 2.83Å; N491-V497 HydrophobicContact CB-CG2 3.75Å
492	P	95.6	Very high	96.4	Very high	36 Å²	36	42.7 Å²	42.7	23%	0.234	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37	175.5	-28.6	39.6	0	0	0	113.6	L351 E426 F428 K494	L351-P492 HydrophobicContact CD1-CG 3.91Å; E426-P492 VanDerWaalsContact O-CG 3.26Å; E426-P492 WeakPolarHBondContact O-CG 3.4Å; F428-P492 HydrophobicContact CD2-CG 4.19Å; F428-P492 HydrophobicContact CE2-CG 4.45Å; P492-K494 PolarHBondContact O-N 2.86Å; P492-K494 VanDerWaalsContact O-N 3.15Å
493	N	94.4	Very high	96.4	Very high	99 Å²	99	45.4 Å²	45.4	53%	0.529	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	7.5	174.2	-63	13.3	0	0	0	114.1	Y347 N491 T495	Y347-N493 WeakPolarHBondContact CE2-ND2 3.31Å; Y347-N493 PolarHBondContact OH-OD1 2.89Å; N491-N493 VanDerWaalsContact C-N 3.27Å; N491-N493 PolarHBondContact O-N 2.85Å; N491-N493 VanDerWaalsContact OD1-CA 3.3Å; N491-N493 WeakPolarHBondContact OD1-CA 3.46Å; N491-N493 WeakPolarHBondContact OD1-CB 3.41Å; N491-N493 PolarHBondContact OD1-N 3.1Å; N493-T495 PolarHBondContact O-N 2.81Å; N493-T495 VanDerWaalsContact O-N 3.15Å
494	K	94	Very high	96.3	Very high	110 Å²	110	45.1 Å²	45.1	48%	0.478	24%	0.241	S	C	.	.	S	Bend	trans	57.8	22.1	-177.4	-49	-51.5	175.1	-166.5	0	115.4	G427 T429 F490 N491 P492	G427-K494 PolarHBondContact O-NZ 3.36Å; T429-K494 PolarHBondContact OG1-NZ 3.04Å; F490-K494 WeakPolarHBondContact CD1-O 3.25Å; N491-K494 WeakPolarHBondContact O-CA 3.45Å; N491-K494 PolarHBondContact O-N 2.91Å; N491-K494 PolarHBondContact OD1-N 2.79Å; P492-K494 PolarHBondContact O-N 2.86Å; P492-K494 VanDerWaalsContact O-N 3.15Å
495	T	94.9	Very high	96.3	Very high	80 Å²	80	48.1 Å²	48.1	49%	0.491	26%	0.255	S	S	.	.			trans	-77.9	140.2	165.2	-31.4	0	0	0	0	110.2	F490 N491 N493 V497	F490-T495 CarbonylContact C-O 3.5Å; F490-T495 VanDerWaalsContact CA-O 3.3Å; F490-T495 WeakPolarHBondContact CA-O 3.27Å; N491-T495 PolarHBondContact N-O 3.35Å; N491-T495 WeakPolarHBondContact ND2-CB 3.42Å; N491-T495 PolarHBondContact ND2-OG1 2.85Å; N491-T495 WeakPolarHBondContact OD1-CB 3.35Å; N491-T495 PolarHBondContact OD1-N 2.97Å; N491-T495 PolarHBondContact OD1-O 3.42Å; N491-T495 PolarHBondContact OD1-OG1 2.83Å; N493-T495 PolarHBondContact O-N 2.81Å; N493-T495 VanDerWaalsContact O-N 3.15Å; T495-V497 PolarHBondContact O-N 2.94Å
496	V	95.2	Very high	96.2	Very high	78 Å²	78	48.2 Å²	48.2	47%	0.473	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	127.9	173.5	179.6	0	0	0	0	110.1	T488 F490	T488-V496 HydrophobicContact CG2-CB 4.46Å; T488-V496 HydrophobicContact CG2-CG1 3.85Å; T488-V496 HydrophobicContact CG2-CG2 3.84Å; F490-V496 HydrophobicContact CD1-CG2 3.89Å; F490-V496 HydrophobicContact CE1-CG2 3.57Å; F490-V496 HydrophobicContact CZ-CG2 4.36Å
497	V	92.6	Very high	96.1	Very high	37 Å²	37	47.3 Å²	47.3	22%	0.224	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-46.4	174.3	-176.1	0	0	0	0	110.4	W348 F428 L489 N491 T495 F575	W348-V497 HydrophobicContact CH2-CG2 3.88Å; W348-V497 HydrophobicContact CZ2-CG1 4.47Å; W348-V497 HydrophobicContact CZ2-CG2 3.88Å; F428-V497 HydrophobicContact CE1-CG2 4.25Å; L489-V497 HydrophobicContact CB-CB 4.5Å; L489-V497 HydrophobicContact CD2-CB 4.14Å; L489-V497 HydrophobicContact CD2-CG1 4.2Å; L489-V497 HydrophobicContact CG-CB 4.13Å; L489-V497 HydrophobicContact CG-CG2 4.45Å; L489-V497 PolarHBondContact O-N 3.27Å; N491-V497 HydrophobicContact CB-CG2 3.75Å; T495-V497 PolarHBondContact O-N 2.94Å; V497-F575 HydrophobicContact CG1-CD2 4.07Å; V497-F575 HydrophobicContact CG1-CE2 4.3Å
498	K	93.8	Very high	96	Very high	44 Å²	44	51.7 Å²	51.7	19%	0.191	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	132.9	176.8	-173.8	62.4	178	-176.6	0	110.2	L489 F500 Y551	L489-K498 PolarHBondContact N-O 3.35Å; L489-K498 PolarHBondContact O-N 3.02Å; K498-F500 HydrophobicContact CB-CD2 4.48Å; K498-F500 HydrophobicContact CB-CE2 4Å; K498-F500 HydrophobicContact CB-CZ 4.5Å; K498-F500 HydrophobicContact CG-CD2 3.91Å; K498-F500 HydrophobicContact CG-CE1 4.23Å; K498-F500 HydrophobicContact CG-CE2 3.56Å; K498-F500 HydrophobicContact CG-CG 4.39Å; K498-F500 HydrophobicContact CG-CZ 3.76Å; K498-Y551 HydrophobicContact CB-CD1 4.36Å; K498-Y551 HydrophobicContact CB-CE1 4.31Å; K498-Y551 HydrophobicContact CD-CD1 3.97Å; K498-Y551 HydrophobicContact CD-CD2 4.24Å; K498-Y551 HydrophobicContact CD-CE1 3.96Å; K498-Y551 HydrophobicContact CD-CE2 4.22Å; K498-Y551 HydrophobicContact CD-CG 4.12Å; K498-Y551 HydrophobicContact CG-CD1 3.91Å; K498-Y551 HydrophobicContact CG-CE1 4.17Å; K498-Y551 HydrophobicContact CG-CG 4.31Å
499	M	95.9	Very high	95.9	Very high	95 Å²	95	51.8 Å²	51.8	47%	0.468	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.8	160.4	-168.9	-178	-69.6	0	0	108.6	Q486 T488	Q486-M499 HydrophobicContact CG-CG 4.11Å; Q486-M499 HydrophobicContact CG-SD 4.27Å; T488-M499 HydrophobicContact CG2-CE 4.42Å
500	F	96.8	Very high	95.9	Very high	3 Å²	3	54.6 Å²	54.6	1%	0.013	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.4	169	-65.6	-90.5	0	0	0	108.6	Q486 V487 K498 V502 I553 L573	Q486-F500 WeakPolarHBondContact CA-O 3.34Å; V487-F500 HydrophobicContact CB-CB 4.48Å; V487-F500 PolarHBondContact N-O 2.9Å; V487-F500 PolarHBondContact O-N 2.63Å; K498-F500 HydrophobicContact CB-CD2 4.48Å; K498-F500 HydrophobicContact CB-CE2 4Å; K498-F500 HydrophobicContact CB-CZ 4.5Å; K498-F500 HydrophobicContact CG-CD2 3.91Å; K498-F500 HydrophobicContact CG-CE1 4.23Å; K498-F500 HydrophobicContact CG-CE2 3.56Å; K498-F500 HydrophobicContact CG-CG 4.39Å; K498-F500 HydrophobicContact CG-CZ 3.76Å; F500-V502 HydrophobicContact CB-CG2 4.37Å; F500-I553 HydrophobicContact CB-CD1 4.05Å; F500-I553 HydrophobicContact CB-CG2 4.1Å; F500-I553 HydrophobicContact CD1-CB 3.74Å; F500-I553 HydrophobicContact CD1-CG2 3.38Å; F500-I553 HydrophobicContact CD2-CB 4.45Å; F500-I553 HydrophobicContact CD2-CD1 4.3Å; F500-I553 HydrophobicContact CE1-CB 3.86Å; F500-I553 HydrophobicContact CE1-CG2 3.89Å; F500-I553 HydrophobicContact CG-CB 4.03Å; F500-I553 HydrophobicContact CG-CD1 4.12Å; F500-I553 HydrophobicContact CG-CG2 3.86Å; F500-I553 HydrophobicContact CZ-CB 4.28Å; F500-L573 HydrophobicContact CD2-CD2 4.23Å; F500-L573 HydrophobicContact CE2-CD2 3.89Å; F500-L573 HydrophobicContact CZ-CD2 4.39Å
501	L	96.8	Very high	95.9	Very high	111 Å²	111	56.3 Å²	56.3	58%	0.581	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	109.1	175.4	-168.4	72.7	0	0	0	107.8	T484 Q486	T484-L501 HydrophobicContact CG2-CD1 3.48Å; T484-L501 VanDerWaalsContact CG2-CD1 3.48Å; T484-L501 HydrophobicContact CG2-CG 3.69Å; Q486-L501 HydrophobicContact CB-CD1 4.39Å
502	V	97.8	Very high	96	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	107.3	-166.6	-176.3	0	0	0	0	110.1	T484 I485 F500 L517 H519 I553 L555	T484-V502 CarbonylContact C-O 3.41Å; T484-V502 WeakPolarHBondContact CA-O 3.36Å; I485-V502 PolarHBondContact N-O 3.18Å; I485-V502 PolarHBondContact O-N 2.82Å; F500-V502 HydrophobicContact CB-CG2 4.37Å; V502-L517 HydrophobicContact CG1-CD1 3.91Å; V502-L517 HydrophobicContact CG1-CD2 3.46Å; V502-L517 VanDerWaalsContact CG1-CD2 3.46Å; V502-L517 HydrophobicContact CG1-CG 4.34Å; V502-H519 HydrophobicContact CG1-CB 4.23Å; V502-H519 HydrophobicContact CG2-CB 3.92Å; V502-I553 HydrophobicContact CG2-CG2 3.79Å; V502-L555 HydrophobicContact CB-CD1 4.23Å; V502-L555 HydrophobicContact CG1-CD1 3.99Å; V502-L555 HydrophobicContact CG2-CD1 4.43Å
503	T	97.4	Very high	96	Very high	93 Å²	93	58.9 Å²	58.9	57%	0.571	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	143.5	172.6	49.1	0	0	0	0	111.1	G483 T484	G483-T503 WeakPolarHBondContact O-CA 3.35Å; T484-T503 HydrophobicContact CG2-CG2 4.33Å
504	Y	97.4	Very high	96.1	Very high	15 Å²	15	57.4 Å²	57.4	6%	0.059	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	152.2	-179.4	69.4	-81.5	0	0	0	111.7	I479 P480 A482 G483 I485 F506 F557	I479-Y504 HydrophobicContact CD1-CE2 3.96Å; P480-Y504 WeakPolarHBondContact CD-OH 3.46Å; P480-Y504 WeakPolarHBondContact O-CE2 3.38Å; P480-Y504 PolarHBondContact O-OH 3.2Å; A482-Y504 WeakPolarHBondContact CA-O 3.34Å; G483-Y504 VanDerWaalsContact C-CE1 3.42Å; G483-Y504 PolarHBondContact N-O 2.91Å; G483-Y504 VanDerWaalsContact O-CD1 3.29Å; G483-Y504 WeakPolarHBondContact O-CD1 3.19Å; G483-Y504 PolarHBondContact O-N 2.82Å; I485-Y504 HydrophobicContact CD1-CD1 3.92Å; I485-Y504 HydrophobicContact CD1-CE1 3.86Å; I485-Y504 HydrophobicContact CG1-CD1 4.1Å; I485-Y504 HydrophobicContact CG1-CE1 3.72Å; Y504-F506 AromaticContact CD2-CD2 3.57Å; Y504-F506 HydrophobicContact CD2-CD2 3.57Å; Y504-F506 AromaticContact CD2-CE2 3.81Å; Y504-F506 HydrophobicContact CD2-CE2 3.81Å; Y504-F506 HydrophobicContact CE2-CD2 4.36Å; Y504-F506 HydrophobicContact CG-CD2 4.38Å; Y504-F506 HydrophobicContact CG-CE2 4.18Å; Y504-F557 HydrophobicContact CD2-CE1 4.46Å
505	N	97	Very high	96.3	Very high	101 Å²	101	52.7 Å²	52.7	54%	0.54	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	118.1	169.3	-174.3	-5.6	0	0	0	109.6	A482 G507	A482-N505 HydrophobicContact CB-CB 4.03Å; N505-G507 PolarHBondContact OD1-N 2.95Å
506	F	96.8	Very high	96.4	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.018	29%	0.287	C	S	.	.			trans	-127.8	32.9	176.1	-58.8	-53.4	0	0	0	110.5	K481 Y504 D508 M509 T515 L517 F557 Y602	K481-F506 CarbonylContact O-C 3.6Å; K481-F506 WeakPolarHBondContact O-CA 3.35Å; K481-F506 PolarHBondContact O-N 3.41Å; Y504-F506 AromaticContact CD2-CD2 3.57Å; Y504-F506 HydrophobicContact CD2-CD2 3.57Å; Y504-F506 AromaticContact CD2-CE2 3.81Å; Y504-F506 HydrophobicContact CD2-CE2 3.81Å; Y504-F506 HydrophobicContact CE2-CD2 4.36Å; Y504-F506 HydrophobicContact CG-CD2 4.38Å; Y504-F506 HydrophobicContact CG-CE2 4.18Å; F506-D508 PolarHBondContact O-N 2.75Å; F506-M509 HydrophobicContact CB-CB 3.9Å; F506-M509 HydrophobicContact CB-SD 4.18Å; F506-M509 HydrophobicContact CD1-SD 4.46Å; F506-M509 HydrophobicContact CG-SD 4.29Å; F506-M509 VanDerWaalsContact O-CB 3.31Å; F506-M509 WeakPolarHBondContact O-CB 3.28Å; F506-M509 PolarHBondContact O-N 3.5Å; F506-M509 VanDerWaalsContact O-N 3.15Å; F506-T515 HydrophobicContact CD1-CG2 4.2Å; F506-T515 HydrophobicContact CE1-CG2 3.74Å; F506-T515 HydrophobicContact CZ-CG2 4.04Å; F506-L517 HydrophobicContact CZ-CD1 4.41Å; F506-F557 AromaticContact CD2-CD1 3.8Å; F506-F557 HydrophobicContact CD2-CD1 3.8Å; F506-F557 HydrophobicContact CD2-CE1 4.11Å; F506-F557 HydrophobicContact CD2-CG 4.09Å; F506-F557 HydrophobicContact CE2-CB 4.36Å; F506-F557 AromaticContact CE2-CD1 3.45Å; F506-F557 HydrophobicContact CE2-CD1 3.45Å; F506-F557 VanDerWaalsContact CE2-CD1 3.45Å; F506-F557 AromaticContact CE2-CD2 3.68Å; F506-F557 HydrophobicContact CE2-CD2 3.68Å; F506-F557 AromaticContact CE2-CE1 3.5Å; F506-F557 HydrophobicContact CE2-CE1 3.5Å; F506-F557 AromaticContact CE2-CE2 3.76Å; F506-F557 HydrophobicContact CE2-CE2 3.76Å; F506-F557 AromaticContact CE2-CG 3.55Å; F506-F557 HydrophobicContact CE2-CG 3.55Å; F506-F557 AromaticContact CE2-CZ 3.67Å; F506-F557 HydrophobicContact CE2-CZ 3.67Å; F506-F557 HydrophobicContact CZ-CD1 4.46Å; F506-F557 AromaticContact CZ-CD2 3.93Å; F506-F557 HydrophobicContact CZ-CD2 3.93Å; F506-F557 HydrophobicContact CZ-CE2 4.04Å; F506-F557 HydrophobicContact CZ-CG 4.17Å; F506-F557 HydrophobicContact CZ-CZ 4.34Å; F506-Y602 AromaticContact CD1-CE1 3.81Å; F506-Y602 HydrophobicContact CD1-CE1 3.81Å; F506-Y602 HydrophobicContact CE1-CE1 4.39Å
507	G	95.9	Very high	96.5	Very high	35 Å²	35	48.2 Å²	48.2	36%	0.361	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.5	174.6	0	0	0	0	0	112.9	K481 N505	K481-G507 PolarHBondContact NZ-O 2.78Å; K481-G507 VanDerWaalsContact NZ-O 3.13Å; N505-G507 PolarHBondContact OD1-N 2.95Å
508	D	96	Very high	96.6	Very high	93 Å²	93	47.9 Å²	47.9	50%	0.497	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	0.1	179.5	65.9	-56.5	0	0	0	114.7	F506 P510 K601 Y602	F506-D508 PolarHBondContact O-N 2.75Å; D508-P510 VanDerWaalsContact O-CD 3.32Å; D508-P510 WeakPolarHBondContact O-CD 3.42Å; D508-K601 IonicContact OD1-NZ 2.86Å; D508-K601 PolarHBondContact OD1-NZ 3.36Å; D508-K601 IonicContact OD2-NZ 2.99Å; D508-K601 PolarHBondContact OD2-NZ 2.78Å; D508-Y602 VanDerWaalsContact CG-OH 3.31Å; D508-Y602 PolarHBondContact OD1-OH 3.43Å; D508-Y602 WeakPolarHBondContact OD2-CE2 3.25Å; D508-Y602 PolarHBondContact OD2-OH 3.45Å
509	M	97.1	Very high	96.7	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.03	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-70.3	120.2	179.5	-174.9	157.6	137.2	0	0	111.1	F506 H513 T515 F557 Q558 I565 Y602	F506-M509 HydrophobicContact CB-CB 3.9Å; F506-M509 HydrophobicContact CB-SD 4.18Å; F506-M509 HydrophobicContact CD1-SD 4.46Å; F506-M509 HydrophobicContact CG-SD 4.29Å; F506-M509 VanDerWaalsContact O-CB 3.31Å; F506-M509 WeakPolarHBondContact O-CB 3.28Å; F506-M509 PolarHBondContact O-N 3.5Å; F506-M509 VanDerWaalsContact O-N 3.15Å; M509-H513 WeakPolarHBondContact CE-O 3.23Å; M509-H513 HydrophobicContact CG-CB 4.47Å; M509-T515 HydrophobicContact SD-CG2 3.94Å; M509-F557 HydrophobicContact CE-CB 4.44Å; M509-Q558 VanDerWaalsContact CE-C 3.42Å; M509-I565 HydrophobicContact CB-CD1 4.48Å; M509-I565 HydrophobicContact CE-CD1 4.26Å; M509-I565 HydrophobicContact SD-CD1 4.49Å; M509-Y602 HydrophobicContact CB-CD1 4.03Å; M509-Y602 HydrophobicContact CB-CE1 3.53Å; M509-Y602 HydrophobicContact CB-CE2 4.2Å; M509-Y602 HydrophobicContact CG-CD1 3.5Å; M509-Y602 VanDerWaalsContact CG-CD1 3.5Å; M509-Y602 HydrophobicContact CG-CE1 3.48Å; M509-Y602 VanDerWaalsContact CG-CE1 3.48Å; M509-Y602 HydrophobicContact CG-CG 4.1Å; M509-Y602 HydrophobicContact SD-CD1 3.54Å; M509-Y602 VanDerWaalsContact SD-CD1 3.54Å; M509-Y602 HydrophobicContact SD-CE1 3.45Å; M509-Y602 WeakPolarHBondContact SD-CE1 3.35Å
510	P	97	Very high	96.6	Very high	59 Å²	59	43.3 Å²	43.3	38%	0.383	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-65.4	166.3	-179.5	-19.8	32.3	0	0	0	112.6	D508 S559	D508-P510 VanDerWaalsContact O-CD 3.32Å; D508-P510 WeakPolarHBondContact O-CD 3.42Å; P510-S559 WeakPolarHBondContact O-CB 3.37Å; P510-S559 PolarHBondContact O-OG 2.65Å
511	V	96.9	Very high	96.3	Very high	73 Å²	73	44 Å²	44	44%	0.442	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	149.3	174.9	-63	0	0	0	0	111.8	H513 S560	V511-H513 VanDerWaalsContact C-N 3.27Å; V511-H513 PolarHBondContact O-N 2.76Å; V511-H513 PolarHBondContact O-ND1 2.79Å; V511-S560 WeakPolarHBondContact CB-O 3.42Å
512	N	96.1	Very high	95.9	Very high	57 Å²	57	40.8 Å²	40.8	31%	0.305	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	43.2	-178	-48.7	-51.1	0	0	0	113.7	S559 K561 R605	N512-S559 PolarHBondContact N-OG 2.97Å; N512-S559 VanDerWaalsContact N-OG 3.07Å; N512-K561 WeakPolarHBondContact OD1-CA 3.39Å; N512-K561 WeakPolarHBondContact OD1-CG 3.13Å; N512-K561 PolarHBondContact OD1-N 3.06Å; N512-K561 VanDerWaalsContact OD1-N 3.08Å; N512-R605 HydrophobicContact CB-CB 4.49Å; N512-R605 WeakPolarHBondContact O-CB 3.24Å; N512-R605 PolarHBondContact O-N 2.88Å
513	H	96.9	Very high	95.4	Very high	43 Å²	43	41.6 Å²	41.6	20%	0.199	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	165	173.2	-79.4	59.4	0	0	0	110.2	M509 V511 Q558 S559 S603	M509-H513 WeakPolarHBondContact CE-O 3.23Å; M509-H513 HydrophobicContact CG-CB 4.47Å; V511-H513 VanDerWaalsContact C-N 3.27Å; V511-H513 PolarHBondContact O-N 2.76Å; V511-H513 PolarHBondContact O-ND1 2.79Å; H513-Q558 CarbonylContact O-C 3.18Å; H513-Q558 WeakPolarHBondContact O-CA 3.2Å; H513-S559 PolarHBondContact N-OG 3.19Å; H513-S559 PolarHBondContact O-N 2.85Å; H513-S559 PolarHBondContact O-OG 2.92Å; H513-S603 CarbonylContact C-O 3.58Å; H513-S603 VanDerWaalsContact CA-O 3.26Å; H513-S603 WeakPolarHBondContact CA-O 3.48Å; H513-S603 WeakPolarHBondContact CB-O 3.35Å
514	M	96.8	Very high	94.9	Very high	67 Å²	67	37.3 Å²	37.3	33%	0.33	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.4	174.1	64.9	172.9	75.9	0	0	111.6	F557 S603 R605	M514-F557 CarbonylContact C-O 3.5Å; M514-F557 WeakPolarHBondContact CA-O 3.43Å; M514-F557 WeakPolarHBondContact CB-O 3.24Å; M514-S603 PolarHBondContact N-O 2.74Å; M514-S603 PolarHBondContact O-N 3.18Å; M514-R605 HydrophobicContact CE-CB 4.34Å; M514-R605 HydrophobicContact CE-CG 4.31Å
515	T	97.3	Very high	94.3	Very high	12 Å²	12	37 Å²	37	7%	0.074	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-178	170.6	-165.9	0	0	0	0	110	F506 M509 F557 K601 Y602	F506-T515 HydrophobicContact CD1-CG2 4.2Å; F506-T515 HydrophobicContact CE1-CG2 3.74Å; F506-T515 HydrophobicContact CZ-CG2 4.04Å; M509-T515 HydrophobicContact SD-CG2 3.94Å; T515-F557 HydrophobicContact CG2-CB 4.12Å; T515-F557 PolarHBondContact N-O 2.93Å; T515-F557 PolarHBondContact O-N 2.81Å; T515-K601 WeakPolarHBondContact CB-O 3.36Å; T515-K601 PolarHBondContact OG1-O 3.27Å; T515-Y602 HydrophobicContact CG2-CD1 3.88Å; T515-Y602 HydrophobicContact CG2-CE1 3.91Å
516	F	96.9	Very high	93.7	Very high	61 Å²	61	34.6 Å²	34.6	27%	0.268	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	163.8	171.9	68.5	-101.5	0	0	0	112	R518 H554 L555 P597	F516-R518 HydrophobicContact CD2-CG 4.08Å; F516-R518 HydrophobicContact CE2-CG 4.11Å; F516-H554 VanDerWaalsContact CB-CE1 3.49Å; F516-H554 WeakPolarHBondContact CB-CE1 3.28Å; F516-H554 AromaticContact CD2-CE1 3.61Å; F516-H554 AromaticContact CD2-ND1 3.82Å; F516-H554 AromaticContact CG-CE1 3.51Å; F516-L555 CarbonylContact C-O 3.57Å; F516-L555 WeakPolarHBondContact CA-O 3.31Å; F516-L555 VanDerWaalsContact CB-O 3.31Å; F516-L555 WeakPolarHBondContact CB-O 3.36Å; F516-P597 HydrophobicContact CD1-CG 3.81Å; F516-P597 HydrophobicContact CD2-CG 4.37Å; F516-P597 HydrophobicContact CE1-CG 3.61Å; F516-P597 HydrophobicContact CE2-CG 4.19Å; F516-P597 HydrophobicContact CG-CG 4.2Å; F516-P597 HydrophobicContact CZ-CG 3.82Å; F516-P597 WeakPolarHBondContact O-CD 3.35Å
517	L	96.9	Very high	92.6	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.2	170.8	-169.1	166	0	0	0	107.9	V502 F506 H519 H554 L555 F557 T594 E595 V596	V502-L517 HydrophobicContact CG1-CD1 3.91Å; V502-L517 HydrophobicContact CG1-CD2 3.46Å; V502-L517 VanDerWaalsContact CG1-CD2 3.46Å; V502-L517 HydrophobicContact CG1-CG 4.34Å; F506-L517 HydrophobicContact CZ-CD1 4.41Å; L517-H519 HydrophobicContact CD2-CB 4.11Å; L517-H554 WeakPolarHBondContact O-CA 3.28Å; L517-L555 PolarHBondContact N-O 2.93Å; L517-L555 PolarHBondContact O-N 2.92Å; L517-F557 HydrophobicContact CB-CD2 4.49Å; L517-F557 HydrophobicContact CB-CE2 3.63Å; L517-F557 HydrophobicContact CB-CZ 4.35Å; L517-T594 HydrophobicContact CD1-CG2 3.99Å; L517-T594 HydrophobicContact CD2-CG2 3.64Å; L517-T594 HydrophobicContact CG-CG2 3.78Å; L517-E595 CarbonylContact C-O 3.58Å; L517-E595 WeakPolarHBondContact CA-O 3.26Å; L517-V596 HydrophobicContact CB-CG1 4.05Å; L517-V596 HydrophobicContact CD1-CG1 4.17Å; L517-V596 HydrophobicContact CG-CG1 3.78Å
518	R	95.9	Very high	91	Very high	30 Å²	30	44.7 Å²	44.7	11%	0.113	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.1	169.4	-70.3	-176.2	-167.5	163	19.7	109.1	E411 F516 I553 H554 E595	E411-R518 WeakPolarHBondContact OE1-CD 3.32Å; E411-R518 IonicContact OE1-CZ 3.2Å; E411-R518 IonicContact OE1-NE 2.74Å; E411-R518 IonicContact OE1-NH1 2.75Å; E411-R518 PolarHBondContact OE1-NH1 2.92Å; F516-R518 HydrophobicContact CD2-CG 4.08Å; F516-R518 HydrophobicContact CE2-CG 4.11Å; R518-I553 WeakPolarHBondContact CA-O 3.24Å; R518-H554 HydrophobicContact CG-CB 4.2Å; R518-H554 WeakPolarHBondContact CG-ND1 3.3Å; R518-H554 PolarHBondContact NE-ND1 2.99Å; R518-E595 HydrophobicContact CB-CB 4.43Å; R518-E595 PolarHBondContact N-O 3.34Å; R518-E595 PolarHBondContact O-N 3.01Å
519	H	95.8	Very high	89.1	Confident	16 Å²	16	43.8 Å²	43.8	7%	0.074	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.3	168.8	179.4	86.4	0	0	0	108.6	V502 L517 L552 I553 F593 T594	V502-H519 HydrophobicContact CG1-CB 4.23Å; V502-H519 HydrophobicContact CG2-CB 3.92Å; L517-H519 HydrophobicContact CD2-CB 4.11Å; H519-L552 CarbonylContact O-C 3.57Å; H519-L552 WeakPolarHBondContact O-CA 3.37Å; H519-I553 HydrophobicContact CB-CG2 3.75Å; H519-I553 PolarHBondContact N-O 3.49Å; H519-I553 PolarHBondContact O-N 2.84Å; H519-F593 WeakPolarHBondContact CA-O 3.17Å; H519-T594 PolarHBondContact ND1-OG1 3.32Å
520	R	92.6	Very high	86.7	Confident	28 Å²	28	49.8 Å²	49.8	11%	0.106	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	147.1	-178.4	-59.9	-171	-179.2	80.2	0	110.2	E411 F522 L549 Y551 L552 S592 F593 E595	E411-R520 VanDerWaalsContact CD-NH2 3.34Å; E411-R520 IonicContact OE1-CZ 3.64Å; E411-R520 IonicContact OE1-NE 3.51Å; E411-R520 IonicContact OE1-NH2 3.26Å; E411-R520 PolarHBondContact OE1-NH2 3.44Å; E411-R520 IonicContact OE2-CZ 2.74Å; E411-R520 VanDerWaalsContact OE2-CZ 3.31Å; E411-R520 IonicContact OE2-NE 2.7Å; E411-R520 PolarHBondContact OE2-NE 2.79Å; E411-R520 IonicContact OE2-NH2 2.64Å; E411-R520 PolarHBondContact OE2-NH2 2.8Å; E411-R520 VanDerWaalsContact OE2-NH2 3.09Å; R520-F522 HydrophobicContact CB-CD2 4.17Å; R520-F522 HydrophobicContact CB-CE2 3.6Å; R520-F522 HydrophobicContact CB-CZ 4.22Å; R520-F522 HydrophobicContact CG-CE2 4.28Å; R520-L549 HydrophobicContact CB-CD1 3.89Å; R520-L549 HydrophobicContact CG-CD1 4.24Å; R520-Y551 CarbonylContact C-O 3.57Å; R520-L552 HydrophobicContact CG-CD1 3.83Å; R520-L552 HydrophobicContact CG-CG 4.05Å; R520-S592 CarbonylContact O-C 3.6Å; R520-S592 VanDerWaalsContact O-CA 3.26Å; R520-S592 WeakPolarHBondContact O-CA 3.5Å; R520-F593 PolarHBondContact N-O 3.09Å; R520-F593 PolarHBondContact O-N 2.84Å; R520-E595 IonicContact CZ-OE2 3.66Å; R520-E595 IonicContact NH1-OE2 3.75Å; R520-E595 PolarHBondContact NH1-OE2 3.11Å; R520-E595 IonicContact NH2-OE2 2.8Å; R520-E595 PolarHBondContact NH2-OE2 3.03Å
521	I	91.3	Very high	84.6	Confident	16 Å²	16	56.5 Å²	56.5	8%	0.082	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	114.7	170.4	-50.9	177.1	0	0	0	107.6	C550 Y551 L590	I521-C550 PolarHBondContact O-N 2.83Å; I521-Y551 HydrophobicContact CB-CD2 4.21Å; I521-Y551 HydrophobicContact CD1-CD2 4.33Å; I521-Y551 HydrophobicContact CG2-CD2 4.41Å; I521-Y551 PolarHBondContact N-O 3.27Å; I521-Y551 PolarHBondContact O-N 2.88Å; I521-L590 HydrophobicContact CG2-CB 4.16Å; I521-L590 HydrophobicContact CG2-CD2 4.09Å
522	F	88.3	Confident	82.1	Confident	44 Å²	44	55.6 Å²	55.6	19%	0.193	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.2	176.4	-60.6	-96.1	0	0	0	110.2	R520 V524 R547 I548 L549 L590 K591 F593	R520-F522 HydrophobicContact CB-CD2 4.17Å; R520-F522 HydrophobicContact CB-CE2 3.6Å; R520-F522 HydrophobicContact CB-CZ 4.22Å; R520-F522 HydrophobicContact CG-CE2 4.28Å; F522-V524 HydrophobicContact CB-CG2 3.96Å; F522-R547 HydrophobicContact CB-CB 4.4Å; F522-R547 HydrophobicContact CD1-CB 4.13Å; F522-I548 CarbonylContact C-O 3.59Å; F522-I548 VanDerWaalsContact CA-O 3.25Å; F522-I548 WeakPolarHBondContact CA-O 3.11Å; F522-L549 HydrophobicContact CD1-CB 3.94Å; F522-L549 HydrophobicContact CD1-CD1 4.11Å; F522-L549 HydrophobicContact CE1-CB 3.91Å; F522-L549 HydrophobicContact CE1-CD1 3.91Å; F522-L549 HydrophobicContact CE1-CG 4.44Å; F522-L549 HydrophobicContact CE2-CD1 4.36Å; F522-L549 HydrophobicContact CG-CD1 4.42Å; F522-L549 HydrophobicContact CZ-CD1 4.05Å; F522-L590 CarbonylContact O-C 3.58Å; F522-L590 WeakPolarHBondContact O-CA 3.47Å; F522-K591 PolarHBondContact N-O 2.89Å; F522-K591 PolarHBondContact O-N 3.29Å; F522-F593 AromaticContact CD2-CD2 3.67Å; F522-F593 HydrophobicContact CD2-CD2 3.67Å; F522-F593 AromaticContact CD2-CE2 3.89Å; F522-F593 HydrophobicContact CD2-CE2 3.89Å; F522-F593 AromaticContact CE2-CD2 3.97Å; F522-F593 HydrophobicContact CE2-CD2 3.97Å; F522-F593 HydrophobicContact CE2-CE2 4.46Å
523	L	86.6	Confident	79.5	Confident	18 Å²	18	59.7 Å²	59.7	9%	0.094	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.3	154.6	-161.4	86	0	0	0	108.1	R547 I548 I580 V582 Y588 L590	L523-R547 WeakPolarHBondContact O-CA 3.3Å; L523-I548 HydrophobicContact CB-CB 4.44Å; L523-I548 PolarHBondContact N-O 2.85Å; L523-I548 PolarHBondContact O-N 2.93Å; L523-I580 HydrophobicContact CD1-CG2 4.23Å; L523-I580 HydrophobicContact CD2-CG2 3.79Å; L523-I580 HydrophobicContact CG-CG2 4.42Å; L523-V582 HydrophobicContact CD2-CG2 3.69Å; L523-Y588 HydrophobicContact CD2-CD1 3.34Å; L523-Y588 HydrophobicContact CD2-CD2 4.46Å; L523-Y588 HydrophobicContact CD2-CE1 3.92Å; L523-Y588 HydrophobicContact CD2-CG 3.66Å; L523-Y588 HydrophobicContact CG-CD1 3.55Å; L523-Y588 HydrophobicContact CG-CE1 4.47Å; L523-Y588 HydrophobicContact CG-CG 3.93Å; L523-L590 HydrophobicContact CB-CD2 4.41Å; L523-L590 HydrophobicContact CD1-CD2 3.82Å; L523-L590 HydrophobicContact CD1-CG 4.35Å
524	V	87.8	Confident	76.8	Confident	4 Å²	4	64.2 Å²	64.2	2%	0.024	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130	-179.4	-175.2	0	0	0	0	107.8	F522 V526 L543 R547 Y588 E589 K591	F522-V524 HydrophobicContact CB-CG2 3.96Å; V524-V526 PolarHBondContact O-N 3.06Å; V524-L543 HydrophobicContact CG1-CD2 4.32Å; V524-R547 HydrophobicContact CB-CG 4.44Å; V524-R547 HydrophobicContact CG1-CG 4.1Å; V524-R547 HydrophobicContact CG2-CB 4.41Å; V524-R547 HydrophobicContact CG2-CG 3.87Å; V524-Y588 VanDerWaalsContact C-CD1 3.42Å; V524-Y588 WeakPolarHBondContact O-CA 3.32Å; V524-E589 PolarHBondContact N-O 2.67Å; V524-E589 PolarHBondContact O-N 3.11Å; V524-K591 HydrophobicContact CB-CD 4.08Å; V524-K591 HydrophobicContact CB-CG 4.27Å; V524-K591 HydrophobicContact CG1-CD 4.27Å; V524-K591 HydrophobicContact CG2-CB 3.87Å; V524-K591 HydrophobicContact CG2-CD 4.05Å; V524-K591 HydrophobicContact CG2-CG 4Å
525	P	84.6	Confident	74.5	Confident	7 Å²	7	65.2 Å²	65.2	5%	0.045	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	141.6	177.7	14.2	-14.4	0	0	0	110.3	E527 K546 I586 P587 Y588	P525-E527 PolarHBondContact O-N 3.3Å; P525-K546 WeakPolarHBondContact CD-O 3.42Å; P525-K546 HydrophobicContact CG-CB 3.53Å; P525-K546 HydrophobicContact CG-CD 3.72Å; P525-K546 HydrophobicContact CG-CG 4.24Å; P525-I586 HydrophobicContact CB-CG2 3.81Å; P525-P587 WeakPolarHBondContact CA-O 3.02Å; P525-Y588 VanDerWaalsContact CA-CD1 3.42Å; P525-Y588 HydrophobicContact CB-CD1 3.89Å; P525-Y588 HydrophobicContact CB-CE1 3.59Å; P525-Y588 HydrophobicContact CB-CE2 4.24Å; P525-Y588 HydrophobicContact CB-CG 4.38Å; P525-Y588 VanDerWaalsContact CD-CE1 3.48Å; P525-Y588 HydrophobicContact CG-CD1 4.27Å; P525-Y588 HydrophobicContact CG-CE1 3.67Å
526	V	83.8	Confident	71.8	Confident	52 Å²	52	69.5 Å²	69.5	32%	0.315	42%	0.42	S	S	.	.			trans	-78.9	113	166.7	177.3	0	0	0	0	106	V524 E528 P587 E589	V524-V526 PolarHBondContact O-N 3.06Å; V526-E528 HydrophobicContact CG1-CG 4.15Å; V526-E528 PolarHBondContact O-N 3.34Å; V526-P587 HydrophobicContact CB-CB 4.18Å; V526-P587 HydrophobicContact CB-CG 4.06Å; V526-P587 HydrophobicContact CG1-CG 4.47Å; V526-P587 PolarHBondContact N-O 2.8Å; V526-E589 HydrophobicContact CG2-CB 3.84Å
527	E	74.3	Confident	69.4	Low	110 Å²	110	72.2 Å²	72.2	51%	0.514	45%	0.446	S	S	.	.			trans	-82.3	92.3	173.7	-60.6	-170.8	146.4	0	0	107.1	P525 L543 K546	P525-E527 PolarHBondContact O-N 3.3Å; E527-L543 WeakPolarHBondContact OE2-CD1 3.44Å; E527-K546 IonicContact OE1-NZ 3.18Å; E527-K546 PolarHBondContact OE1-NZ 2.8Å
528	E	63	Low	67.1	Low	141 Å²	141	78 Å²	78	66%	0.659	48%	0.484	S	S	*	.			trans	-64	140.1	174.8	-65.8	-170.8	150.5	0	0	110.3	V526 T530 P587	V526-E528 HydrophobicContact CG1-CG 4.15Å; V526-E528 PolarHBondContact O-N 3.34Å; E528-T530 VanDerWaalsContact C-N 3.34Å; E528-T530 PolarHBondContact O-N 3.35Å; E528-P587 HydrophobicContact CG-CG 3.91Å
529	G	54.9	Low	64.4	Low	74 Å²	74	79.2 Å²	79.2	76%	0.763	51%	0.505	S	S	*	.			trans	-75	73.9	-165	0	0	0	0	0	114.6	E531	G529-E531 VanDerWaalsContact C-N 3.29Å; G529-E531 PolarHBondContact O-N 2.95Å
530	T	47.3	Very low	62	Low	131 Å²	131	81 Å²	81	80%	0.804	53%	0.528	S	S	*	.			trans	-74.9	86.4	161.1	-54.7	0	0	0	0	108.8	E528 G532	E528-T530 VanDerWaalsContact C-N 3.34Å; E528-T530 PolarHBondContact O-N 3.35Å; T530-G532 PolarHBondContact O-N 3.09Å
531	E	52.9	Low	59.9	Low	200 Å²	200	81.7 Å²	81.7	94%	0.935	54%	0.544	S	S	*	.			trans	-69.4	76	170.9	-65.8	-173.9	-168.3	0	0	109.6	G529	G529-E531 VanDerWaalsContact C-N 3.29Å; G529-E531 PolarHBondContact O-N 2.95Å
532	G	44.3	Very low	58	Low	55 Å²	55	83.9 Å²	83.9	57%	0.567	57%	0.565	S	S	*	*			trans	-138.5	57.3	-158.1	0	0	0	0	0	115.2	T530	T530-G532 PolarHBondContact O-N 3.09Å
533	N	41.4	Very low	56.2	Low	142 Å²	142	84.2 Å²	84.2	76%	0.759	57%	0.568	S	S	*	*			trans	74.5	148.8	158.8	-159.9	45.7	0	0	0	119.6
534	D	40.8	Very low	54.6	Low	139 Å²	139	87.8 Å²	87.8	74%	0.743	59%	0.587	S	S	*	*			trans	46.9	97.3	166.9	-70	-36.1	0	0	0	121.3
535	G	47.3	Very low	53.1	Low	87 Å²	87	97 Å²	97	90%	0.897	62%	0.622	S	S	*	*				95.1	24.7	108	0	0	0	0	0	120.3
536	A	42.2	Very low	52.3	Low	103 Å²	103	101.2 Å²	101.2	85%	0.851	64%	0.639	S	S	*	*			trans	-139.5	104.1	175.3	0	0	0	0	0	115.2
537	S	45.9	Very low	52.1	Low	117 Å²	117	102.7 Å²	102.7	82%	0.818	64%	0.639	S	S	*	*			trans	-160.2	152	166.9	-168	0	0	0	0	110.3
538	P	48	Very low	52.4	Low	125 Å²	125	100.3 Å²	100.3	81%	0.812	63%	0.629	S	S	*	*			cis	-112.1	137.4	-2.7	36.5	-24.7	0	0	0	113.4
539	G	39.2	Very low	53.4	Low	54 Å²	54	95.8 Å²	95.8	56%	0.557	61%	0.609	S	S	*	*			trans	-147.4	69	-177.9	0	0	0	0	0	113.8	G541 A542	G539-G541 PolarHBondContact O-N 2.77Å; G539-A542 WeakPolarHBondContact O-CB 3.49Å; G539-A542 PolarHBondContact O-N 3.46Å
540	G	45.6	Very low	55	Low	54 Å²	54	92.6 Å²	92.6	56%	0.557	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-53	-28.2	-176.1	0	0	0	0	0	115	A542 L543 D544	G540-A542 PolarHBondContact O-N 2.91Å; G540-L543 PolarHBondContact O-N 2.91Å; G540-D544 PolarHBondContact O-N 3.11Å; G540-D544 VanDerWaalsContact O-N 3.15Å
541	G	49.1	Very low	57.1	Low	43 Å²	43	88.8 Å²	88.8	44%	0.443	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-65.2	-1.5	172.8	0	0	0	0	0	116	G539 R545	G539-G541 PolarHBondContact O-N 2.77Å; G541-R545 WeakPolarHBondContact O-CD 3.37Å; G541-R545 VanDerWaalsContact O-CG 3.28Å; G541-R545 WeakPolarHBondContact O-CG 3.17Å; G541-R545 PolarHBondContact O-NE 2.97Å
542	A	49.9	Very low	59	Low	61 Å²	61	79.3 Å²	79.3	50%	0.504	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-85.2	-42.2	165.8	0	0	0	0	0	111.7	G539 G540 R545	G539-A542 WeakPolarHBondContact O-CB 3.49Å; G539-A542 PolarHBondContact O-N 3.46Å; G540-A542 PolarHBondContact O-N 2.91Å; A542-R545 PolarHBondContact O-N 3.35Å
543	L	51.6	Low	61.5	Low	52 Å²	52	76.7 Å²	76.7	27%	0.272	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-39.1	-179.8	-128.3	173.1	0	0	0	111.2	V524 E527 G540 R545 K546	V524-L543 HydrophobicContact CG1-CD2 4.32Å; E527-L543 WeakPolarHBondContact OE2-CD1 3.44Å; G540-L543 PolarHBondContact O-N 2.91Å; L543-R545 PolarHBondContact O-N 3.25Å; L543-K546 WeakPolarHBondContact O-CB 3.47Å; L543-K546 PolarHBondContact O-N 2.85Å
544	D	53.1	Low	64.2	Low	92 Å²	92	70.3 Å²	70.3	49%	0.492	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-63	-27.5	175.7	-78.2	-32.7	0	0	0	113.3	G540 K546 R547	G540-D544 PolarHBondContact O-N 3.11Å; G540-D544 VanDerWaalsContact O-N 3.15Å; D544-K546 PolarHBondContact O-N 2.87Å; D544-R547 PolarHBondContact O-N 3.26Å; D544-R547 WeakPolarHBondContact OD1-CD 3.37Å; D544-R547 IonicContact OD1-CZ 2.82Å; D544-R547 VanDerWaalsContact OD1-CZ 3.26Å; D544-R547 IonicContact OD1-NE 2.61Å; D544-R547 IonicContact OD1-NH1 3.95Å; D544-R547 PolarHBondContact OD1-NH1 2.99Å
545	R	55.7	Low	66.9	Low	199 Å²	199	63.7 Å²	63.7	75%	0.751	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-69.3	-18.6	172.5	-68.3	173.5	-152.2	-153.8	2.7	113.3	G541 A542 L543	G541-R545 WeakPolarHBondContact O-CD 3.37Å; G541-R545 VanDerWaalsContact O-CG 3.28Å; G541-R545 WeakPolarHBondContact O-CG 3.17Å; G541-R545 PolarHBondContact O-NE 2.97Å; A542-R545 PolarHBondContact O-N 3.35Å; L543-R545 PolarHBondContact O-N 3.25Å
546	K	68.3	Low	69.3	Low	94 Å²	94	61.7 Å²	61.7	41%	0.409	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-89	-7.9	176.5	-53.4	-177.6	-177	177.6	0	113	P525 E527 L543 D544	P525-K546 WeakPolarHBondContact CD-O 3.42Å; P525-K546 HydrophobicContact CG-CB 3.53Å; P525-K546 HydrophobicContact CG-CD 3.72Å; P525-K546 HydrophobicContact CG-CG 4.24Å; E527-K546 IonicContact OE1-NZ 3.18Å; E527-K546 PolarHBondContact OE1-NZ 2.8Å; L543-K546 WeakPolarHBondContact O-CB 3.47Å; L543-K546 PolarHBondContact O-N 2.85Å; D544-K546 PolarHBondContact O-N 2.87Å
547	R	78.4	Confident	71.9	Confident	84 Å²	84	56.8 Å²	56.8	32%	0.317	33%	0.33	S	S	.	.			trans	-89.1	128.1	-175.2	-58.6	-172.5	176.2	164.6	-6.3	111.3	F522 L523 V524 D544	F522-R547 HydrophobicContact CB-CB 4.4Å; F522-R547 HydrophobicContact CD1-CB 4.13Å; L523-R547 WeakPolarHBondContact O-CA 3.3Å; V524-R547 HydrophobicContact CB-CG 4.44Å; V524-R547 HydrophobicContact CG1-CG 4.1Å; V524-R547 HydrophobicContact CG2-CB 4.41Å; V524-R547 HydrophobicContact CG2-CG 3.87Å; D544-R547 PolarHBondContact O-N 3.26Å; D544-R547 WeakPolarHBondContact OD1-CD 3.37Å; D544-R547 IonicContact OD1-CZ 2.82Å; D544-R547 VanDerWaalsContact OD1-CZ 3.26Å; D544-R547 IonicContact OD1-NE 2.61Å; D544-R547 IonicContact OD1-NH1 3.95Å; D544-R547 PolarHBondContact OD1-NH1 2.99Å
548	I	81.8	Confident	74.4	Confident	60 Å²	60	51.7 Å²	51.7	31%	0.308	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.6	-176.9	-49.2	178.4	0	0	0	109.4	F522 L523 C550 I580	F522-I548 CarbonylContact C-O 3.59Å; F522-I548 VanDerWaalsContact CA-O 3.25Å; F522-I548 WeakPolarHBondContact CA-O 3.11Å; L523-I548 HydrophobicContact CB-CB 4.44Å; L523-I548 PolarHBondContact N-O 2.85Å; L523-I548 PolarHBondContact O-N 2.93Å; I548-C550 PolarHBondContact O-N 2.82Å; I548-I580 HydrophobicContact CB-CD1 4.14Å; I548-I580 HydrophobicContact CD1-CD1 3.57Å; I548-I580 HydrophobicContact CG1-CD1 4.44Å; I548-I580 HydrophobicContact CG2-CD1 3.65Å
549	L	84.8	Confident	76.7	Confident	45 Å²	45	45.8 Å²	45.8	24%	0.236	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	107.6	-179.5	-178.3	64.8	0	0	0	110.5	E411 R520 F522 Y551 L552 L574	E411-L549 HydrophobicContact CG-CD2 4.44Å; R520-L549 HydrophobicContact CB-CD1 3.89Å; R520-L549 HydrophobicContact CG-CD1 4.24Å; F522-L549 HydrophobicContact CD1-CB 3.94Å; F522-L549 HydrophobicContact CD1-CD1 4.11Å; F522-L549 HydrophobicContact CE1-CB 3.91Å; F522-L549 HydrophobicContact CE1-CD1 3.91Å; F522-L549 HydrophobicContact CE1-CG 4.44Å; F522-L549 HydrophobicContact CE2-CD1 4.36Å; F522-L549 HydrophobicContact CG-CD1 4.42Å; F522-L549 HydrophobicContact CZ-CD1 4.05Å; L549-Y551 WeakPolarHBondContact CD1-O 3.43Å; L549-L552 HydrophobicContact CD1-CB 4.44Å; L549-L552 HydrophobicContact CD2-CB 4.42Å; L549-L552 HydrophobicContact CD2-CD1 4.09Å; L549-L574 HydrophobicContact CD2-CD2 3.87Å
550	C	86.6	Confident	79.5	Confident	8 Å²	8	44.1 Å²	44.1	5%	0.054	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-40.8	178.7	-61.6	0	0	0	0	112.4	I521 I548 S576	I521-C550 PolarHBondContact O-N 2.83Å; I548-C550 PolarHBondContact O-N 2.82Å; C550-S576 PolarHBondContact O-N 2.56Å
551	Y	91.4	Very high	81.8	Confident	51 Å²	51	50.1 Å²	50.1	20%	0.2	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.4	-177	-51.9	-79.3	0	0	0	111.8	K498 R520 I521 L549 L574 F575	K498-Y551 HydrophobicContact CB-CD1 4.36Å; K498-Y551 HydrophobicContact CB-CE1 4.31Å; K498-Y551 HydrophobicContact CD-CD1 3.97Å; K498-Y551 HydrophobicContact CD-CD2 4.24Å; K498-Y551 HydrophobicContact CD-CE1 3.96Å; K498-Y551 HydrophobicContact CD-CE2 4.22Å; K498-Y551 HydrophobicContact CD-CG 4.12Å; K498-Y551 HydrophobicContact CG-CD1 3.91Å; K498-Y551 HydrophobicContact CG-CE1 4.17Å; K498-Y551 HydrophobicContact CG-CG 4.31Å; R520-Y551 CarbonylContact C-O 3.57Å; I521-Y551 HydrophobicContact CB-CD2 4.21Å; I521-Y551 HydrophobicContact CD1-CD2 4.33Å; I521-Y551 HydrophobicContact CG2-CD2 4.41Å; I521-Y551 PolarHBondContact N-O 3.27Å; I521-Y551 PolarHBondContact O-N 2.88Å; L549-Y551 WeakPolarHBondContact CD1-O 3.43Å; Y551-L574 CarbonylContact C-O 3.6Å; Y551-L574 VanDerWaalsContact CA-O 3.3Å; Y551-L574 WeakPolarHBondContact CA-O 3.4Å; Y551-F575 HydrophobicContact CD1-CB 3.81Å; Y551-F575 HydrophobicContact CE1-CB 4.07Å
552	L	94.1	Very high	84	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	138.8	170.2	-172.2	157.3	0	0	0	109.5	E411 L415 H519 R520 L549 H554 L573 L574	E411-L552 HydrophobicContact CG-CD1 3.6Å; L415-L552 HydrophobicContact CD1-CD1 4.09Å; L415-L552 HydrophobicContact CD1-CD2 3.74Å; L415-L552 HydrophobicContact CD2-CD2 4.02Å; L415-L552 HydrophobicContact CG-CD2 4.44Å; H519-L552 CarbonylContact O-C 3.57Å; H519-L552 WeakPolarHBondContact O-CA 3.37Å; R520-L552 HydrophobicContact CG-CD1 3.83Å; R520-L552 HydrophobicContact CG-CG 4.05Å; L549-L552 HydrophobicContact CD1-CB 4.44Å; L549-L552 HydrophobicContact CD2-CB 4.42Å; L549-L552 HydrophobicContact CD2-CD1 4.09Å; L552-H554 HydrophobicContact CD2-CB 3.99Å; L552-L573 CarbonylContact O-C 3.5Å; L552-L573 WeakPolarHBondContact O-CA 3.29Å; L552-L574 HydrophobicContact CB-CB 3.78Å; L552-L574 PolarHBondContact N-O 3.1Å; L552-L574 PolarHBondContact O-N 3.26Å
553	I	96.9	Very high	86.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.9	165	179.1	165.8	0	0	0	109.8	V487 F500 V502 R518 H519 L555 I571 L573	V487-I553 HydrophobicContact CB-CD1 3.81Å; V487-I553 HydrophobicContact CG1-CD1 4.3Å; V487-I553 HydrophobicContact CG2-CD1 3.7Å; F500-I553 HydrophobicContact CB-CD1 4.05Å; F500-I553 HydrophobicContact CB-CG2 4.1Å; F500-I553 HydrophobicContact CD1-CB 3.74Å; F500-I553 HydrophobicContact CD1-CG2 3.38Å; F500-I553 HydrophobicContact CD2-CB 4.45Å; F500-I553 HydrophobicContact CD2-CD1 4.3Å; F500-I553 HydrophobicContact CE1-CB 3.86Å; F500-I553 HydrophobicContact CE1-CG2 3.89Å; F500-I553 HydrophobicContact CG-CB 4.03Å; F500-I553 HydrophobicContact CG-CD1 4.12Å; F500-I553 HydrophobicContact CG-CG2 3.86Å; F500-I553 HydrophobicContact CZ-CB 4.28Å; V502-I553 HydrophobicContact CG2-CG2 3.79Å; R518-I553 WeakPolarHBondContact CA-O 3.24Å; H519-I553 HydrophobicContact CB-CG2 3.75Å; H519-I553 PolarHBondContact N-O 3.49Å; H519-I553 PolarHBondContact O-N 2.84Å; I553-L555 HydrophobicContact CD1-CD2 3.99Å; I553-L555 HydrophobicContact CD1-CG 4.3Å; I553-L555 HydrophobicContact CG1-CD2 4.1Å; I553-L555 HydrophobicContact CG1-CG 4.05Å; I553-I571 HydrophobicContact CD1-CG2 4.07Å; I553-I571 HydrophobicContact CG1-CG2 3.98Å; I553-L573 HydrophobicContact CB-CD2 3.85Å; I553-L573 HydrophobicContact CD1-CD2 3.62Å; I553-L573 HydrophobicContact CG1-CD2 3.56Å
554	H	97.4	Very high	88.4	Confident	9 Å²	9	52.9 Å²	52.9	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	112	177.6	177.1	70.2	0	0	0	109.6	L415 F516 L517 R518 L552 R556 R572	L415-H554 HydrophobicContact CD1-CB 4.44Å; L415-H554 HydrophobicContact CD2-CB 4.26Å; F516-H554 VanDerWaalsContact CB-CE1 3.49Å; F516-H554 WeakPolarHBondContact CB-CE1 3.28Å; F516-H554 AromaticContact CD2-CE1 3.61Å; F516-H554 AromaticContact CD2-ND1 3.82Å; F516-H554 AromaticContact CG-CE1 3.51Å; L517-H554 WeakPolarHBondContact O-CA 3.28Å; R518-H554 HydrophobicContact CG-CB 4.2Å; R518-H554 WeakPolarHBondContact CG-ND1 3.3Å; R518-H554 PolarHBondContact NE-ND1 2.99Å; L552-H554 HydrophobicContact CD2-CB 3.99Å; H554-R556 PolarHBondContact NE2-NE 3.22Å; H554-R572 HydrophobicContact CB-CB 4.33Å; H554-R572 PolarHBondContact N-O 2.87Å; H554-R572 PolarHBondContact O-N 2.83Å; H554-R572 VanDerWaalsContact O-N 3.15Å
555	L	98.1	Very high	90.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.7	-178.7	-63.9	169.3	0	0	0	109.4	I485 V502 F516 L517 I553 F557 L567 I571	I485-L555 HydrophobicContact CB-CD1 4.46Å; I485-L555 HydrophobicContact CD1-CD1 4Å; I485-L555 HydrophobicContact CG2-CD1 4.19Å; I485-L555 HydrophobicContact CG2-CD2 4.48Å; V502-L555 HydrophobicContact CB-CD1 4.23Å; V502-L555 HydrophobicContact CG1-CD1 3.99Å; V502-L555 HydrophobicContact CG2-CD1 4.43Å; F516-L555 CarbonylContact C-O 3.57Å; F516-L555 WeakPolarHBondContact CA-O 3.31Å; F516-L555 VanDerWaalsContact CB-O 3.31Å; F516-L555 WeakPolarHBondContact CB-O 3.36Å; L517-L555 PolarHBondContact N-O 2.93Å; L517-L555 PolarHBondContact O-N 2.92Å; I553-L555 HydrophobicContact CD1-CD2 3.99Å; I553-L555 HydrophobicContact CD1-CG 4.3Å; I553-L555 HydrophobicContact CG1-CD2 4.1Å; I553-L555 HydrophobicContact CG1-CG 4.05Å; L555-F557 HydrophobicContact CB-CD2 4.42Å; L555-F557 HydrophobicContact CB-CE2 3.45Å; L555-F557 VanDerWaalsContact CB-CE2 3.45Å; L555-F557 HydrophobicContact CB-CZ 3.7Å; L555-F557 HydrophobicContact CD1-CZ 4.04Å; L555-F557 HydrophobicContact CG-CZ 4.49Å; L555-L567 HydrophobicContact CB-CD2 4.09Å; L555-L567 HydrophobicContact CD2-CD1 4.2Å; L555-L567 HydrophobicContact CD2-CD2 4.18Å; L555-I571 HydrophobicContact CD2-CD1 3.85Å; L555-I571 HydrophobicContact CD2-CG1 3.94Å; L555-I571 HydrophobicContact CD2-CG2 3.92Å
556	R	97.3	Very high	92.5	Very high	45 Å²	45	40.3 Å²	40.3	17%	0.17	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.8	178.1	-63.1	-176.6	-178	90.7	-12.4	110.9	H554 L567 H568 D570 R572	H554-R556 PolarHBondContact NE2-NE 3.22Å; R556-L567 CarbonylContact O-C 3.57Å; R556-L567 VanDerWaalsContact O-CA 3.31Å; R556-L567 WeakPolarHBondContact O-CA 3.35Å; R556-H568 PolarHBondContact O-N 2.93Å; R556-H568 PolarHBondContact O-ND1 3.29Å; R556-D570 IonicContact CZ-OD1 2.79Å; R556-D570 IonicContact CZ-OD2 3.09Å; R556-D570 PolarHBondContact NH1-O 3.42Å; R556-D570 IonicContact NH1-OD1 2.72Å; R556-D570 PolarHBondContact NH1-OD1 2.92Å; R556-D570 IonicContact NH1-OD2 3.62Å; R556-D570 PolarHBondContact NH1-OD2 3.01Å; R556-D570 IonicContact NH2-OD1 3.59Å; R556-D570 IonicContact NH2-OD2 2.72Å; R556-R572 VanDerWaalsContact NH2-NE 3.18Å
557	F	97.8	Very high	93.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143	-173.9	-60.2	-95.9	0	0	0	110.9	I479 I485 Y504 F506 M509 M514 T515 L517 L555 I565 Y566 L567 H568	I479-F557 HydrophobicContact CD1-CD1 3.76Å; I479-F557 HydrophobicContact CD1-CE1 3.55Å; I485-F557 HydrophobicContact CD1-CE1 3.67Å; I485-F557 HydrophobicContact CD1-CZ 3.79Å; Y504-F557 HydrophobicContact CD2-CE1 4.46Å; F506-F557 AromaticContact CD2-CD1 3.8Å; F506-F557 HydrophobicContact CD2-CD1 3.8Å; F506-F557 HydrophobicContact CD2-CE1 4.11Å; F506-F557 HydrophobicContact CD2-CG 4.09Å; F506-F557 HydrophobicContact CE2-CB 4.36Å; F506-F557 AromaticContact CE2-CD1 3.45Å; F506-F557 HydrophobicContact CE2-CD1 3.45Å; F506-F557 VanDerWaalsContact CE2-CD1 3.45Å; F506-F557 AromaticContact CE2-CD2 3.68Å; F506-F557 HydrophobicContact CE2-CD2 3.68Å; F506-F557 AromaticContact CE2-CE1 3.5Å; F506-F557 HydrophobicContact CE2-CE1 3.5Å; F506-F557 AromaticContact CE2-CE2 3.76Å; F506-F557 HydrophobicContact CE2-CE2 3.76Å; F506-F557 AromaticContact CE2-CG 3.55Å; F506-F557 HydrophobicContact CE2-CG 3.55Å; F506-F557 AromaticContact CE2-CZ 3.67Å; F506-F557 HydrophobicContact CE2-CZ 3.67Å; F506-F557 HydrophobicContact CZ-CD1 4.46Å; F506-F557 AromaticContact CZ-CD2 3.93Å; F506-F557 HydrophobicContact CZ-CD2 3.93Å; F506-F557 HydrophobicContact CZ-CE2 4.04Å; F506-F557 HydrophobicContact CZ-CG 4.17Å; F506-F557 HydrophobicContact CZ-CZ 4.34Å; M509-F557 HydrophobicContact CE-CB 4.44Å; M514-F557 CarbonylContact C-O 3.5Å; M514-F557 WeakPolarHBondContact CA-O 3.43Å; M514-F557 WeakPolarHBondContact CB-O 3.24Å; T515-F557 HydrophobicContact CG2-CB 4.12Å; T515-F557 PolarHBondContact N-O 2.93Å; T515-F557 PolarHBondContact O-N 2.81Å; L517-F557 HydrophobicContact CB-CD2 4.49Å; L517-F557 HydrophobicContact CB-CE2 3.63Å; L517-F557 HydrophobicContact CB-CZ 4.35Å; L555-F557 HydrophobicContact CB-CD2 4.42Å; L555-F557 HydrophobicContact CB-CE2 3.45Å; L555-F557 VanDerWaalsContact CB-CE2 3.45Å; L555-F557 HydrophobicContact CB-CZ 3.7Å; L555-F557 HydrophobicContact CD1-CZ 4.04Å; L555-F557 HydrophobicContact CG-CZ 4.49Å; F557-I565 HydrophobicContact CD1-CG2 4.06Å; F557-Y566 CarbonylContact C-O 3.53Å; F557-Y566 WeakPolarHBondContact CA-O 3.44Å; F557-L567 HydrophobicContact CD1-CD2 3.75Å; F557-L567 HydrophobicContact CE1-CD2 3.4Å; F557-L567 HydrophobicContact CE2-CD2 4.22Å; F557-L567 HydrophobicContact CG-CD2 4.31Å; F557-L567 HydrophobicContact CZ-CD2 3.65Å; F557-H568 PolarHBondContact O-CE1 3.3Å
558	Q	96.9	Very high	94.7	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.3	168.9	66.5	178.8	-15.1	0	0	110.7	K475 M509 H513 I565 Y566 H568	K475-Q558 PolarHBondContact O-NE2 3.33Å; M509-Q558 VanDerWaalsContact CE-C 3.42Å; H513-Q558 CarbonylContact O-C 3.18Å; H513-Q558 WeakPolarHBondContact O-CA 3.2Å; Q558-I565 WeakPolarHBondContact O-CA 3.47Å; Q558-Y566 PolarHBondContact N-O 2.85Å; Q558-Y566 PolarHBondContact O-N 2.8Å; Q558-H568 HydrophobicContact CB-CB 4.5Å; Q558-H568 VanDerWaalsContact CD-CB 3.47Å; Q558-H568 HydrophobicContact CG-CB 3.79Å; Q558-H568 VanDerWaalsContact NE2-CB 3.31Å
559	S	97.4	Very high	95.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.9	169.3	59.3	0	0	0	0	111	P510 N512 H513 K564	P510-S559 WeakPolarHBondContact O-CB 3.37Å; P510-S559 PolarHBondContact O-OG 2.65Å; N512-S559 PolarHBondContact N-OG 2.97Å; N512-S559 VanDerWaalsContact N-OG 3.07Å; H513-S559 PolarHBondContact N-OG 3.19Å; H513-S559 PolarHBondContact O-N 2.85Å; H513-S559 PolarHBondContact O-OG 2.92Å; S559-K564 CarbonylContact C-O 3.57Å; S559-K564 WeakPolarHBondContact CA-O 3.2Å
560	S	96.5	Very high	96	Very high	19 Å²	19	33.4 Å²	33.4	13%	0.133	17%	0.167	C	C	.	.			trans	-80.1	170.9	171.1	69.4	0	0	0	0	112.3	V511 S562 G563 K564	V511-S560 WeakPolarHBondContact CB-O 3.42Å; S560-S562 PolarHBondContact O-N 3.15Å; S560-S562 PolarHBondContact OG-N 3.15Å; S560-S562 VanDerWaalsContact OG-N 3.07Å; S560-S562 PolarHBondContact OG-OG 2.99Å; S560-G563 PolarHBondContact O-N 2.9Å; S560-G563 PolarHBondContact OG-N 2.97Å; S560-K564 PolarHBondContact N-O 2.76Å; S560-K564 PolarHBondContact OG-N 2.92Å; S560-K564 VanDerWaalsContact OG-N 3.1Å
561	K	95.4	Very high	96.5	Very high	180 Å²	180	33.1 Å²	33.1	78%	0.783	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-21.3	163.4	-64.1	-172.6	176.5	-169.7	0	113.7	N512	N512-K561 WeakPolarHBondContact OD1-CA 3.39Å; N512-K561 WeakPolarHBondContact OD1-CG 3.13Å; N512-K561 PolarHBondContact OD1-N 3.06Å; N512-K561 VanDerWaalsContact OD1-N 3.08Å
562	S	95.4	Very high	96.8	Very high	83 Å²	83	32.9 Å²	32.9	58%	0.58	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	16.9	179.8	79	0	0	0	0	113.3	S560 K564	S560-S562 PolarHBondContact O-N 3.15Å; S560-S562 PolarHBondContact OG-N 3.15Å; S560-S562 VanDerWaalsContact OG-N 3.07Å; S560-S562 PolarHBondContact OG-OG 2.99Å; S562-K564 PolarHBondContact O-N 2.98Å; S562-K564 VanDerWaalsContact O-N 3.11Å
563	G	95.4	Very high	96.8	Very high	14 Å²	14	32.9 Å²	32.9	14%	0.144	16%	0.163	C	C	.	.	S	Bend	trans	65.3	14.9	178.1	0	0	0	0	0	116.3	K481 S560	K481-G563 VanDerWaalsContact CE-O 3.26Å; K481-G563 WeakPolarHBondContact CE-O 3.45Å; S560-G563 PolarHBondContact O-N 2.9Å; S560-G563 PolarHBondContact OG-N 2.97Å
564	K	96.8	Very high	96.6	Very high	117 Å²	117	33.4 Å²	33.4	51%	0.509	17%	0.166	S	C	.	.			trans	-80.7	136.5	171.8	-68.5	-172.3	178.4	-170	0	109.3	S559 S560 S562 Y566	S559-K564 CarbonylContact C-O 3.57Å; S559-K564 WeakPolarHBondContact CA-O 3.2Å; S560-K564 PolarHBondContact N-O 2.76Å; S560-K564 PolarHBondContact OG-N 2.92Å; S560-K564 VanDerWaalsContact OG-N 3.1Å; S562-K564 PolarHBondContact O-N 2.98Å; S562-K564 VanDerWaalsContact O-N 3.11Å; K564-Y566 HydrophobicContact CB-CE2 3.74Å; K564-Y566 WeakPolarHBondContact O-CD2 3.45Å; K564-Y566 WeakPolarHBondContact O-CE2 3.33Å
565	I	97.9	Very high	96.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.4	-178.2	-49.9	-56.6	0	0	0	110	I479 K481 M509 F557 Q558	I479-I565 HydrophobicContact CD1-CG2 3.92Å; I479-I565 HydrophobicContact CG1-CB 4.05Å; I479-I565 HydrophobicContact CG1-CG2 3.85Å; I479-I565 PolarHBondContact N-O 3.43Å; K481-I565 HydrophobicContact CG-CG1 3.96Å; M509-I565 HydrophobicContact CB-CD1 4.48Å; M509-I565 HydrophobicContact CE-CD1 4.26Å; M509-I565 HydrophobicContact SD-CD1 4.49Å; F557-I565 HydrophobicContact CD1-CG2 4.06Å; Q558-I565 WeakPolarHBondContact O-CA 3.47Å
566	Y	98.1	Very high	95.4	Very high	26 Å²	26	34.1 Å²	34.1	10%	0.102	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.6	176	-58	-100.7	0	0	0	111.1	K475 Y477 S478 F557 Q558 K564	K475-Y566 HydrophobicContact CB-CD1 3.72Å; K475-Y566 HydrophobicContact CB-CE1 3.83Å; K475-Y566 HydrophobicContact CB-CG 4.16Å; K475-Y566 HydrophobicContact CD-CE1 4.03Å; K475-Y566 HydrophobicContact CD-CE2 4.32Å; K475-Y566 WeakPolarHBondContact O-CB 3.47Å; Y477-Y566 CarbonylContact O-C 3.58Å; Y477-Y566 WeakPolarHBondContact O-CA 3.31Å; S478-Y566 VanDerWaalsContact CA-CD1 3.5Å; F557-Y566 CarbonylContact C-O 3.53Å; F557-Y566 WeakPolarHBondContact CA-O 3.44Å; Q558-Y566 PolarHBondContact N-O 2.85Å; Q558-Y566 PolarHBondContact O-N 2.8Å; K564-Y566 HydrophobicContact CB-CE2 3.74Å; K564-Y566 WeakPolarHBondContact O-CD2 3.45Å; K564-Y566 WeakPolarHBondContact O-CE2 3.33Å
567	L	98	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	133.1	156.1	-63.1	177.5	0	0	0	108.4	I432 L469 G476 Y477 I479 I485 L555 R556 F557 I571	I432-L567 HydrophobicContact CG2-CD1 4.47Å; L469-L567 HydrophobicContact CD1-CB 3.62Å; G476-L567 CarbonylContact C-O 3.52Å; G476-L567 VanDerWaalsContact CA-O 3.25Å; G476-L567 WeakPolarHBondContact CA-O 3.44Å; Y477-L567 HydrophobicContact CD1-CD1 4.23Å; Y477-L567 PolarHBondContact N-O 3.48Å; Y477-L567 PolarHBondContact O-N 3.47Å; I479-L567 HydrophobicContact CD1-CD2 4.37Å; I479-L567 HydrophobicContact CD1-CG 4.28Å; I485-L567 HydrophobicContact CD1-CD1 4.11Å; I485-L567 HydrophobicContact CD1-CD2 3.96Å; I485-L567 HydrophobicContact CD1-CG 4.32Å; L555-L567 HydrophobicContact CB-CD2 4.09Å; L555-L567 HydrophobicContact CD2-CD1 4.2Å; L555-L567 HydrophobicContact CD2-CD2 4.18Å; R556-L567 CarbonylContact O-C 3.57Å; R556-L567 VanDerWaalsContact O-CA 3.31Å; R556-L567 WeakPolarHBondContact O-CA 3.35Å; F557-L567 HydrophobicContact CD1-CD2 3.75Å; F557-L567 HydrophobicContact CE1-CD2 3.4Å; F557-L567 HydrophobicContact CE2-CD2 4.22Å; F557-L567 HydrophobicContact CG-CD2 4.31Å; F557-L567 HydrophobicContact CZ-CD2 3.65Å; L567-I571 HydrophobicContact CD1-CD1 4.07Å
568	H	95.7	Very high	92	Very high	14 Å²	14	39.4 Å²	39.4	7%	0.065	19%	0.194	C	C	.	.			trans	-134.9	162.5	-173.3	78.4	-70.2	0	0	0	114.1	R556 F557 Q558 D570	R556-H568 PolarHBondContact O-N 2.93Å; R556-H568 PolarHBondContact O-ND1 3.29Å; F557-H568 PolarHBondContact O-CE1 3.3Å; Q558-H568 HydrophobicContact CB-CB 4.5Å; Q558-H568 VanDerWaalsContact CD-CB 3.47Å; Q558-H568 HydrophobicContact CG-CB 3.79Å; Q558-H568 VanDerWaalsContact NE2-CB 3.31Å; H568-D570 VanDerWaalsContact C-N 3.29Å; H568-D570 PolarHBondContact O-N 3.14Å
569	N	95.1	Very high	90	Very high	106 Å²	106	42.8 Å²	42.8	57%	0.567	22%	0.219	S	C	*	.	S	Bend	trans	57.6	-83.9	-170.6	-57.5	-8.2	0	0	0	111.7	L469	L469-N569 WeakPolarHBondContact CB-O 3.44Å; L469-N569 PolarHBondContact N-O 3.42Å
570	D	96.9	Very high	88.4	Confident	19 Å²	19	45 Å²	45	10%	0.102	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	146.8	-167.9	63.5	-50.4	0	0	0	112.3	V466 I467 R556 H568 R572	V466-D570 HydrophobicContact CG1-CB 4.12Å; I467-D570 CarbonylContact O-C 3.56Å; I467-D570 WeakPolarHBondContact O-CA 3.26Å; I467-D570 WeakPolarHBondContact O-CB 3.4Å; R556-D570 IonicContact CZ-OD1 2.79Å; R556-D570 IonicContact CZ-OD2 3.09Å; R556-D570 PolarHBondContact NH1-O 3.42Å; R556-D570 IonicContact NH1-OD1 2.72Å; R556-D570 PolarHBondContact NH1-OD1 2.92Å; R556-D570 IonicContact NH1-OD2 3.62Å; R556-D570 PolarHBondContact NH1-OD2 3.01Å; R556-D570 IonicContact NH2-OD1 3.59Å; R556-D570 IonicContact NH2-OD2 2.72Å; H568-D570 VanDerWaalsContact C-N 3.29Å; H568-D570 PolarHBondContact O-N 3.14Å; D570-R572 IonicContact OD1-NH2 2.65Å; D570-R572 WeakPolarHBondContact OD2-CG 3.41Å; D570-R572 IonicContact OD2-CZ 3.82Å; D570-R572 IonicContact OD2-NE 3.58Å; D570-R572 PolarHBondContact OD2-NE 3.19Å; D570-R572 IonicContact OD2-NH2 2.63Å; D570-R572 PolarHBondContact OD2-NH2 3.01Å
571	I	98	Very high	86.4	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.7	167.8	-57.4	177.6	0	0	0	107.8	I432 I467 L469 V487 I553 L555 L567 L573	I432-I571 HydrophobicContact CD1-CD1 3.69Å; I432-I571 HydrophobicContact CG1-CD1 4.18Å; I467-I571 HydrophobicContact CB-CB 4.24Å; I467-I571 HydrophobicContact CD1-CB 4.14Å; I467-I571 HydrophobicContact CD1-CG2 4.24Å; I467-I571 HydrophobicContact CG1-CB 4.45Å; I467-I571 PolarHBondContact N-O 2.98Å; I467-I571 PolarHBondContact O-N 3.02Å; L469-I571 HydrophobicContact CD1-CG1 4.19Å; L469-I571 HydrophobicContact CD2-CD1 4.26Å; L469-I571 HydrophobicContact CD2-CG1 4.32Å; V487-I571 HydrophobicContact CG2-CD1 4.37Å; I553-I571 HydrophobicContact CD1-CG2 4.07Å; I553-I571 HydrophobicContact CG1-CG2 3.98Å; L555-I571 HydrophobicContact CD2-CD1 3.85Å; L555-I571 HydrophobicContact CD2-CG1 3.94Å; L555-I571 HydrophobicContact CD2-CG2 3.92Å; L567-I571 HydrophobicContact CD1-CD1 4.07Å; I571-L573 HydrophobicContact CG2-CD2 4.02Å
572	R	97	Very high	84.8	Confident	47 Å²	47	42 Å²	42	18%	0.177	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.4	174.4	-59.9	-173.8	-173.7	-149.6	-15.7	110.7	L415 L464 G465 V466 H554 R556 D570	L415-R572 HydrophobicContact CD2-CB 3.78Å; L415-R572 WeakPolarHBondContact O-CD 3.3Å; L415-R572 PolarHBondContact O-NE 2.81Å; L415-R572 PolarHBondContact O-NH1 2.8Å; L464-R572 HydrophobicContact CD1-CB 4.31Å; G465-R572 CarbonylContact O-C 3.55Å; G465-R572 WeakPolarHBondContact O-CA 3.48Å; V466-R572 HydrophobicContact CG2-CG 4.46Å; H554-R572 HydrophobicContact CB-CB 4.33Å; H554-R572 PolarHBondContact N-O 2.87Å; H554-R572 PolarHBondContact O-N 2.83Å; H554-R572 VanDerWaalsContact O-N 3.15Å; R556-R572 VanDerWaalsContact NH2-NE 3.18Å; D570-R572 IonicContact OD1-NH2 2.65Å; D570-R572 WeakPolarHBondContact OD2-CG 3.41Å; D570-R572 IonicContact OD2-CZ 3.82Å; D570-R572 IonicContact OD2-NE 3.58Å; D570-R572 PolarHBondContact OD2-NE 3.19Å; D570-R572 IonicContact OD2-NH2 2.63Å; D570-R572 PolarHBondContact OD2-NH2 3.01Å
573	L	95.6	Very high	83	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.7	179.9	-55.7	-179	0	0	0	109.1	L464 G465 I467 L489 F500 L552 I553 I571 F575	L464-L573 CarbonylContact C-O 3.53Å; L464-L573 WeakPolarHBondContact CA-O 3.5Å; G465-L573 PolarHBondContact N-O 3.31Å; G465-L573 PolarHBondContact O-N 2.8Å; I467-L573 HydrophobicContact CD1-CD1 4.1Å; I467-L573 HydrophobicContact CD1-CG 4.49Å; L489-L573 HydrophobicContact CB-CD1 4.23Å; L489-L573 HydrophobicContact CD1-CD1 4.02Å; L489-L573 HydrophobicContact CD2-CD1 4.13Å; L489-L573 HydrophobicContact CG-CD1 4.36Å; F500-L573 HydrophobicContact CD2-CD2 4.23Å; F500-L573 HydrophobicContact CE2-CD2 3.89Å; F500-L573 HydrophobicContact CZ-CD2 4.39Å; L552-L573 CarbonylContact O-C 3.5Å; L552-L573 WeakPolarHBondContact O-CA 3.29Å; I553-L573 HydrophobicContact CB-CD2 3.85Å; I553-L573 HydrophobicContact CD1-CD2 3.62Å; I553-L573 HydrophobicContact CG1-CD2 3.56Å; I571-L573 HydrophobicContact CG2-CD2 4.02Å; L573-F575 HydrophobicContact CB-CD1 4.43Å
574	L	92.8	Very high	81.4	Confident	11 Å²	11	48.6 Å²	48.6	6%	0.058	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.1	163.9	-150.7	75.2	0	0	0	108.6	I414 P462 F463 L464 L549 Y551 L552	I414-L574 HydrophobicContact CD1-CD1 3.89Å; I414-L574 HydrophobicContact CG1-CD1 4.25Å; I414-L574 HydrophobicContact CG2-CD1 4.16Å; P462-L574 HydrophobicContact CB-CD1 4.04Å; P462-L574 HydrophobicContact CB-CD2 4.43Å; P462-L574 HydrophobicContact CB-CG 4.17Å; F463-L574 VanDerWaalsContact O-CA 3.32Å; F463-L574 WeakPolarHBondContact O-CA 3.46Å; L464-L574 HydrophobicContact CD1-CD1 4.48Å; L549-L574 HydrophobicContact CD2-CD2 3.87Å; Y551-L574 CarbonylContact C-O 3.6Å; Y551-L574 VanDerWaalsContact CA-O 3.3Å; Y551-L574 WeakPolarHBondContact CA-O 3.4Å; L552-L574 HydrophobicContact CB-CB 3.78Å; L552-L574 PolarHBondContact N-O 3.1Å; L552-L574 PolarHBondContact O-N 3.26Å
575	F	89.9	Confident	80	Confident	7 Å²	7	47 Å²	47	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.9	175.6	58.2	-79	0	0	0	111.4	F428 V449 F463 L489 V497 Y551 L573	F428-F575 AromaticContact CE1-CE2 3.99Å; F428-F575 HydrophobicContact CE1-CE2 3.99Å; F428-F575 AromaticContact CE1-CZ 3.84Å; F428-F575 HydrophobicContact CE1-CZ 3.84Å; F428-F575 HydrophobicContact CZ-CE2 4.24Å; F428-F575 HydrophobicContact CZ-CZ 4.19Å; V449-F575 HydrophobicContact CG1-CE1 4.46Å; V449-F575 HydrophobicContact CG1-CZ 3.81Å; V449-F575 HydrophobicContact CG2-CE1 4.41Å; V449-F575 HydrophobicContact CG2-CZ 4.06Å; F463-F575 HydrophobicContact CB-CD1 3.87Å; F463-F575 HydrophobicContact CB-CD2 3.75Å; F463-F575 HydrophobicContact CB-CE1 3.61Å; F463-F575 HydrophobicContact CB-CE2 3.49Å; F463-F575 VanDerWaalsContact CB-CE2 3.49Å; F463-F575 HydrophobicContact CB-CG 3.94Å; F463-F575 HydrophobicContact CB-CZ 3.43Å; F463-F575 VanDerWaalsContact CB-CZ 3.43Å; F463-F575 WeakPolarHBondContact CB-O 3.23Å; F463-F575 HydrophobicContact CD1-CE2 4.4Å; F463-F575 WeakPolarHBondContact CD2-O 3.12Å; F463-F575 HydrophobicContact CG-CD2 4.21Å; F463-F575 AromaticContact CG-CE2 3.85Å; F463-F575 HydrophobicContact CG-CE2 3.85Å; F463-F575 HydrophobicContact CG-CZ 4.14Å; F463-F575 PolarHBondContact N-O 3.46Å; F463-F575 PolarHBondContact O-N 3.35Å; F463-F575 VanDerWaalsContact O-N 3.1Å; L489-F575 HydrophobicContact CD2-CD1 3.74Å; L489-F575 HydrophobicContact CD2-CD2 4.29Å; L489-F575 HydrophobicContact CD2-CE1 3.56Å; L489-F575 HydrophobicContact CD2-CE2 4.12Å; L489-F575 HydrophobicContact CD2-CG 4.11Å; L489-F575 HydrophobicContact CD2-CZ 3.75Å; V497-F575 HydrophobicContact CG1-CD2 4.07Å; V497-F575 HydrophobicContact CG1-CE2 4.3Å; Y551-F575 HydrophobicContact CD1-CB 3.81Å; Y551-F575 HydrophobicContact CE1-CB 4.07Å; L573-F575 HydrophobicContact CB-CD1 4.43Å
576	S	78.6	Confident	79	Confident	16 Å²	16	50.9 Å²	50.9	11%	0.112	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	153.6	176.9	58.6	0	0	0	0	112.6	C550 K578	C550-S576 PolarHBondContact O-N 2.56Å; S576-K578 PolarHBondContact OG-O 2.61Å
577	R	66.2	Low	78.1	Confident	53 Å²	53	51.9 Å²	51.9	20%	0.2	29%	0.294	C	S	.	.	S	Bend	trans	-75.6	-26.8	172.4	-129.6	-178.4	-162.6	136.3	7.3	114.4	W348 L352 F463	W348-R577 HydrophobicContact CB-CG 4.36Å; L352-R577 VanDerWaalsContact CG-NH2 3.34Å; F463-R577 HydrophobicContact CD2-CB 4.31Å; F463-R577 HydrophobicContact CD2-CG 4.39Å; F463-R577 HydrophobicContact CE1-CG 4.42Å; F463-R577 HydrophobicContact CE2-CB 3.49Å; F463-R577 VanDerWaalsContact CE2-CB 3.49Å; F463-R577 HydrophobicContact CE2-CG 3.5Å; F463-R577 HydrophobicContact CZ-CB 4.03Å; F463-R577 HydrophobicContact CZ-CG 3.54Å; F463-R577 VanDerWaalsContact CZ-CZ 3.42Å
578	K	58.1	Low	77.5	Confident	103 Å²	103	55.1 Å²	55.1	45%	0.448	31%	0.307	S	S	.	.	S	Bend	trans	-111.4	142.7	-166.1	-140	-164	169.8	-160.3	0	110.1	S576 I580 E581	S576-K578 PolarHBondContact OG-O 2.61Å; K578-I580 PolarHBondContact O-N 2.86Å; K578-E581 WeakPolarHBondContact CE-OE2 3.39Å; K578-E581 IonicContact NZ-OE2 3.88Å; K578-E581 PolarHBondContact NZ-OE2 3.26Å
579	S	56.3	Low	77.2	Confident	81 Å²	81	58.7 Å²	58.7	57%	0.566	32%	0.324	S	S	*	.			trans	-45.5	118.9	138.5	28.7	0	0	0	0	107.3	E581	S579-E581 WeakPolarHBondContact CB-OE1 3.37Å; S579-E581 PolarHBondContact O-N 2.8Å; S579-E581 PolarHBondContact OG-OE1 2.98Å
580	I	62.2	Low	76.9	Confident	48 Å²	48	58.3 Å²	58.3	25%	0.246	32%	0.321	C	S	.	.			trans	-78.7	79.8	174.5	-174.4	160.1	0	0	0	107.7	P460 L523 I548 K578 V582	P460-I580 HydrophobicContact CG-CD1 4.42Å; L523-I580 HydrophobicContact CD1-CG2 4.23Å; L523-I580 HydrophobicContact CD2-CG2 3.79Å; L523-I580 HydrophobicContact CG-CG2 4.42Å; I548-I580 HydrophobicContact CB-CD1 4.14Å; I548-I580 HydrophobicContact CD1-CD1 3.57Å; I548-I580 HydrophobicContact CG1-CD1 4.44Å; I548-I580 HydrophobicContact CG2-CD1 3.65Å; K578-I580 PolarHBondContact O-N 2.86Å; I580-V582 VanDerWaalsContact C-N 3.35Å; I580-V582 HydrophobicContact CG1-CG2 3.8Å; I580-V582 PolarHBondContact O-N 3.28Å
581	E	55.3	Low	76.6	Confident	97 Å²	97	60.7 Å²	60.7	45%	0.453	33%	0.33	S	S	.	.			trans	-59.5	97.3	167.9	-75.6	133.2	-132.3	0	0	107.8	K578 S579 D583	K578-E581 WeakPolarHBondContact CE-OE2 3.39Å; K578-E581 IonicContact NZ-OE2 3.88Å; K578-E581 PolarHBondContact NZ-OE2 3.26Å; S579-E581 WeakPolarHBondContact CB-OE1 3.37Å; S579-E581 PolarHBondContact O-N 2.8Å; S579-E581 PolarHBondContact OG-OE1 2.98Å; E581-D583 PolarHBondContact O-N 2.76Å
582	V	61.6	Low	76.3	Confident	38 Å²	38	64 Å²	64	23%	0.23	35%	0.354	C	S	.	.			trans	-95.3	82.6	173.5	-170.5	0	0	0	0	107.5	L523 I580 T584 Y588	L523-V582 HydrophobicContact CD2-CG2 3.69Å; I580-V582 VanDerWaalsContact C-N 3.35Å; I580-V582 HydrophobicContact CG1-CG2 3.8Å; I580-V582 PolarHBondContact O-N 3.28Å; V582-T584 VanDerWaalsContact CG1-OG1 3.24Å; V582-T584 WeakPolarHBondContact CG1-OG1 3.15Å; V582-T584 PolarHBondContact O-N 3.16Å; V582-Y588 HydrophobicContact CB-CD2 4.15Å; V582-Y588 HydrophobicContact CB-CE2 3.87Å; V582-Y588 HydrophobicContact CG1-CD2 4.15Å; V582-Y588 HydrophobicContact CG1-CE2 3.37Å; V582-Y588 HydrophobicContact CG2-CD2 4.41Å; V582-Y588 HydrophobicContact CG2-CE2 4.25Å
583	D	58	Low	76.1	Confident	145 Å²	145	66 Å²	66	78%	0.775	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	32.6	-176.7	-55	-37.1	0	0	0	113	E581	E581-D583 PolarHBondContact O-N 2.76Å
584	T	62.2	Low	76	Confident	91 Å²	91	69.2 Å²	69.2	56%	0.558	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	2.1	-171	-38.9	0	0	0	0	112.6	V582 I586	V582-T584 VanDerWaalsContact CG1-OG1 3.24Å; V582-T584 WeakPolarHBondContact CG1-OG1 3.15Å; V582-T584 PolarHBondContact O-N 3.16Å; T584-I586 HydrophobicContact CG2-CD1 4.13Å; T584-I586 PolarHBondContact O-N 2.88Å
585	G	67.2	Low	76.1	Confident	82 Å²	82	72.7 Å²	72.7	85%	0.845	40%	0.4	S	S	*	.	S	Bend	trans	71.5	-7.5	179.9	0	0	0	0	0	115.6
586	I	75.9	Confident	76.2	Confident	83 Å²	83	74.5 Å²	74.5	43%	0.426	41%	0.411	S	S	.	.			trans	-84.7	131.8	176.9	-58.4	166.6	0	0	0	108.8	P525 T584 Y588	P525-I586 HydrophobicContact CB-CG2 3.81Å; T584-I586 HydrophobicContact CG2-CD1 4.13Å; T584-I586 PolarHBondContact O-N 2.88Å; I586-Y588 HydrophobicContact CB-CE2 4.07Å; I586-Y588 HydrophobicContact CG2-CE2 4.18Å; I586-Y588 WeakPolarHBondContact O-CD2 3.41Å; I586-Y588 WeakPolarHBondContact O-CE2 3.32Å
587	P	79.9	Confident	77	Confident	48 Å²	48	75.2 Å²	75.2	31%	0.312	42%	0.415	S	S	.	.			trans	-68.9	151.8	173.7	21.1	-25.5	0	0	0	112.6	P525 V526 E528	P525-P587 WeakPolarHBondContact CA-O 3.02Å; V526-P587 HydrophobicContact CB-CB 4.18Å; V526-P587 HydrophobicContact CB-CG 4.06Å; V526-P587 HydrophobicContact CG1-CG 4.47Å; V526-P587 PolarHBondContact N-O 2.8Å; E528-P587 HydrophobicContact CG-CG 3.91Å
588	Y	84.7	Confident	78.1	Confident	67 Å²	67	83.7 Å²	83.7	26%	0.263	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.6	-178.2	-79.8	-98.7	0	0	0	112.8	L523 V524 P525 V582 I586	L523-Y588 HydrophobicContact CD2-CD1 3.34Å; L523-Y588 HydrophobicContact CD2-CD2 4.46Å; L523-Y588 HydrophobicContact CD2-CE1 3.92Å; L523-Y588 HydrophobicContact CD2-CG 3.66Å; L523-Y588 HydrophobicContact CG-CD1 3.55Å; L523-Y588 HydrophobicContact CG-CE1 4.47Å; L523-Y588 HydrophobicContact CG-CG 3.93Å; V524-Y588 VanDerWaalsContact C-CD1 3.42Å; V524-Y588 WeakPolarHBondContact O-CA 3.32Å; P525-Y588 VanDerWaalsContact CA-CD1 3.42Å; P525-Y588 HydrophobicContact CB-CD1 3.89Å; P525-Y588 HydrophobicContact CB-CE1 3.59Å; P525-Y588 HydrophobicContact CB-CE2 4.24Å; P525-Y588 HydrophobicContact CB-CG 4.38Å; P525-Y588 VanDerWaalsContact CD-CE1 3.48Å; P525-Y588 HydrophobicContact CG-CD1 4.27Å; P525-Y588 HydrophobicContact CG-CE1 3.67Å; V582-Y588 HydrophobicContact CB-CD2 4.15Å; V582-Y588 HydrophobicContact CB-CE2 3.87Å; V582-Y588 HydrophobicContact CG1-CD2 4.15Å; V582-Y588 HydrophobicContact CG1-CE2 3.37Å; V582-Y588 HydrophobicContact CG2-CD2 4.41Å; V582-Y588 HydrophobicContact CG2-CE2 4.25Å; I586-Y588 HydrophobicContact CB-CE2 4.07Å; I586-Y588 HydrophobicContact CG2-CE2 4.18Å; I586-Y588 WeakPolarHBondContact O-CD2 3.41Å; I586-Y588 WeakPolarHBondContact O-CE2 3.32Å
589	E	89.5	Confident	79.5	Confident	90 Å²	90	86.3 Å²	86.3	42%	0.421	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.6	-179.2	-163.6	-164	136.2	0	0	110.7	V524 V526 K591	V524-E589 PolarHBondContact N-O 2.67Å; V524-E589 PolarHBondContact O-N 3.11Å; V526-E589 HydrophobicContact CG2-CB 3.84Å; E589-K591 WeakPolarHBondContact OE1-CE 3.43Å; E589-K591 IonicContact OE1-NZ 2.64Å; E589-K591 WeakPolarHBondContact OE2-CE 3.27Å; E589-K591 IonicContact OE2-NZ 2.76Å; E589-K591 PolarHBondContact OE2-NZ 2.88Å
590	L	88.8	Confident	81.2	Confident	97 Å²	97	86 Å²	86	51%	0.508	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	101.1	174.4	-73.3	173.3	0	0	0	111.1	I521 F522 L523	I521-L590 HydrophobicContact CG2-CB 4.16Å; I521-L590 HydrophobicContact CG2-CD2 4.09Å; F522-L590 CarbonylContact O-C 3.58Å; F522-L590 WeakPolarHBondContact O-CA 3.47Å; L523-L590 HydrophobicContact CB-CD2 4.41Å; L523-L590 HydrophobicContact CD1-CD2 3.82Å; L523-L590 HydrophobicContact CD1-CG 4.35Å
591	K	90.6	Very high	82.7	Confident	69 Å²	69	87.1 Å²	87.1	30%	0.3	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.2	179.4	-62.7	-170.3	171.9	169.5	0	111.1	F522 V524 E589 F593	F522-K591 PolarHBondContact N-O 2.89Å; F522-K591 PolarHBondContact O-N 3.29Å; V524-K591 HydrophobicContact CB-CD 4.08Å; V524-K591 HydrophobicContact CB-CG 4.27Å; V524-K591 HydrophobicContact CG1-CD 4.27Å; V524-K591 HydrophobicContact CG2-CB 3.87Å; V524-K591 HydrophobicContact CG2-CD 4.05Å; V524-K591 HydrophobicContact CG2-CG 4Å; E589-K591 WeakPolarHBondContact OE1-CE 3.43Å; E589-K591 IonicContact OE1-NZ 2.64Å; E589-K591 WeakPolarHBondContact OE2-CE 3.27Å; E589-K591 IonicContact OE2-NZ 2.76Å; E589-K591 PolarHBondContact OE2-NZ 2.88Å; K591-F593 HydrophobicContact CB-CE2 3.56Å; K591-F593 HydrophobicContact CB-CZ 3.93Å
592	S	91.8	Very high	84.7	Confident	72 Å²	72	83.8 Å²	83.8	50%	0.503	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	141.5	-179.7	86.1	0	0	0	0	112.2	R520	R520-S592 CarbonylContact O-C 3.6Å; R520-S592 VanDerWaalsContact O-CA 3.26Å; R520-S592 WeakPolarHBondContact O-CA 3.5Å
593	F	92.3	Very high	86.4	Confident	87 Å²	87	84.5 Å²	84.5	38%	0.382	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	127.6	-176.3	-59	-94.3	0	0	0	110.6	H519 R520 F522 K591	H519-F593 WeakPolarHBondContact CA-O 3.17Å; R520-F593 PolarHBondContact N-O 3.09Å; R520-F593 PolarHBondContact O-N 2.84Å; F522-F593 AromaticContact CD2-CD2 3.67Å; F522-F593 HydrophobicContact CD2-CD2 3.67Å; F522-F593 AromaticContact CD2-CE2 3.89Å; F522-F593 HydrophobicContact CD2-CE2 3.89Å; F522-F593 AromaticContact CE2-CD2 3.97Å; F522-F593 HydrophobicContact CE2-CD2 3.97Å; F522-F593 HydrophobicContact CE2-CE2 4.46Å; K591-F593 HydrophobicContact CB-CE2 3.56Å; K591-F593 HydrophobicContact CB-CZ 3.93Å
594	T	94.9	Very high	88.1	Confident	69 Å²	69	81.9 Å²	81.9	42%	0.423	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.2	173.7	-69	0	0	0	0	110	L517 H519	L517-T594 HydrophobicContact CD1-CG2 3.99Å; L517-T594 HydrophobicContact CD2-CG2 3.64Å; L517-T594 HydrophobicContact CG-CG2 3.78Å; H519-T594 PolarHBondContact ND1-OG1 3.32Å
595	E	93.2	Very high	89.4	Confident	83 Å²	83	83.3 Å²	83.3	39%	0.388	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.5	172.2	177.7	-178.4	-132.2	0	0	110.7	L517 R518 R520	L517-E595 CarbonylContact C-O 3.58Å; L517-E595 WeakPolarHBondContact CA-O 3.26Å; R518-E595 HydrophobicContact CB-CB 4.43Å; R518-E595 PolarHBondContact N-O 3.34Å; R518-E595 PolarHBondContact O-N 3.01Å; R520-E595 IonicContact CZ-OE2 3.66Å; R520-E595 IonicContact NH1-OE2 3.75Å; R520-E595 PolarHBondContact NH1-OE2 3.11Å; R520-E595 IonicContact NH2-OE2 2.8Å; R520-E595 PolarHBondContact NH2-OE2 3.03Å
596	V	93.9	Very high	89.6	Confident	46 Å²	46	91.2 Å²	91.2	28%	0.279	46%	0.459	S	S	.	.			trans	-129.4	152.2	165	-67.6	0	0	0	0	108.8	L517 R598	L517-V596 HydrophobicContact CB-CG1 4.05Å; L517-V596 HydrophobicContact CD1-CG1 4.17Å; L517-V596 HydrophobicContact CG-CG1 3.78Å; V596-R598 PolarHBondContact O-N 3.1Å
597	P	93.4	Very high	90.3	Very high	30 Å²	30	91.6 Å²	91.6	20%	0.195	46%	0.461	C	S	.	.			trans	-50.2	138.8	168.8	-28.3	36.4	0	0	0	111.8	F516 P600 K601	F516-P597 HydrophobicContact CD1-CG 3.81Å; F516-P597 HydrophobicContact CD2-CG 4.37Å; F516-P597 HydrophobicContact CE1-CG 3.61Å; F516-P597 HydrophobicContact CE2-CG 4.19Å; F516-P597 HydrophobicContact CG-CG 4.2Å; F516-P597 HydrophobicContact CZ-CG 3.82Å; F516-P597 WeakPolarHBondContact O-CD 3.35Å; P597-P600 VanDerWaalsContact CB-O 3.31Å; P597-P600 WeakPolarHBondContact CB-O 3.47Å; P597-K601 WeakPolarHBondContact O-CA 3.46Å
598	R	90	Very high	90.9	Very high	231 Å²	231	93.9 Å²	93.9	87%	0.872	47%	0.469	S	S	*	.			trans	-106	-43.7	178	-66.4	-175.5	179.3	179.8	-0.7	112.6	V596 K601	V596-R598 PolarHBondContact O-N 3.1Å; R598-K601 PolarHBondContact O-N 3.44Å
599	N	88.6	Confident	91.2	Very high	159 Å²	159	95.4 Å²	95.4	85%	0.85	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.4	107.4	-179.3	-169.1	8.6	0	0	0	111.3
600	P	91.7	Very high	91.3	Very high	73 Å²	73	95.7 Å²	95.7	47%	0.474	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	cis	-68	151.5	-15.5	32	-35.7	0	0	0	111.3	P597 Y602	P597-P600 VanDerWaalsContact CB-O 3.31Å; P597-P600 WeakPolarHBondContact CB-O 3.47Å; P600-Y602 VanDerWaalsContact C-N 3.32Å
601	K	93.8	Very high	91.5	Very high	73 Å²	73	95.6 Å²	95.6	32%	0.317	48%	0.483	S	S	.	.	S	Bend	trans	-69.6	-32.3	171.6	-173.9	-177.2	176.9	-161.6	0	112.1	D508 T515 P597 R598	D508-K601 IonicContact OD1-NZ 2.86Å; D508-K601 PolarHBondContact OD1-NZ 3.36Å; D508-K601 IonicContact OD2-NZ 2.99Å; D508-K601 PolarHBondContact OD2-NZ 2.78Å; T515-K601 WeakPolarHBondContact CB-O 3.36Å; T515-K601 PolarHBondContact OG1-O 3.27Å; P597-K601 WeakPolarHBondContact O-CA 3.46Å; R598-K601 PolarHBondContact O-N 3.44Å
602	Y	96.9	Very high	91.5	Very high	26 Å²	26	97.4 Å²	97.4	10%	0.102	50%	0.495	C	S	.	.	S	Bend	trans	-135.5	132.6	-178.6	-55	-64.2	0	0	0	109.9	F506 D508 M509 T515 P600	F506-Y602 AromaticContact CD1-CE1 3.81Å; F506-Y602 HydrophobicContact CD1-CE1 3.81Å; F506-Y602 HydrophobicContact CE1-CE1 4.39Å; D508-Y602 VanDerWaalsContact CG-OH 3.31Å; D508-Y602 PolarHBondContact OD1-OH 3.43Å; D508-Y602 WeakPolarHBondContact OD2-CE2 3.25Å; D508-Y602 PolarHBondContact OD2-OH 3.45Å; M509-Y602 HydrophobicContact CB-CD1 4.03Å; M509-Y602 HydrophobicContact CB-CE1 3.53Å; M509-Y602 HydrophobicContact CB-CE2 4.2Å; M509-Y602 HydrophobicContact CG-CD1 3.5Å; M509-Y602 VanDerWaalsContact CG-CD1 3.5Å; M509-Y602 HydrophobicContact CG-CE1 3.48Å; M509-Y602 VanDerWaalsContact CG-CE1 3.48Å; M509-Y602 HydrophobicContact CG-CG 4.1Å; M509-Y602 HydrophobicContact SD-CD1 3.54Å; M509-Y602 VanDerWaalsContact SD-CD1 3.54Å; M509-Y602 HydrophobicContact SD-CE1 3.45Å; M509-Y602 WeakPolarHBondContact SD-CE1 3.35Å; T515-Y602 HydrophobicContact CG2-CD1 3.88Å; T515-Y602 HydrophobicContact CG2-CE1 3.91Å; P600-Y602 VanDerWaalsContact C-N 3.32Å
603	S	96.4	Very high	91.5	Very high	53 Å²	53	99.2 Å²	99.2	37%	0.371	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.2	173.3	-59.5	0	0	0	0	110.1	H513 M514	H513-S603 CarbonylContact C-O 3.58Å; H513-S603 VanDerWaalsContact CA-O 3.26Å; H513-S603 WeakPolarHBondContact CA-O 3.48Å; H513-S603 WeakPolarHBondContact CB-O 3.35Å; M514-S603 PolarHBondContact N-O 2.74Å; M514-S603 PolarHBondContact O-N 3.18Å
604	P	95.4	Very high	91.4	Very high	91 Å²	91	100.2 Å²	100.2	59%	0.591	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.7	144.8	169.4	-24.7	34.2	0	0	0	111.6	M606	P604-M606 PolarHBondContact O-N 3.16Å
605	R	89.1	Confident	91.1	Very high	121 Å²	121	102.8 Å²	102.8	46%	0.457	51%	0.509	S	S	.	.			trans	-82.5	112.1	169.4	178.3	-176.7	-177.2	144.4	14.1	109.4	N512 M514	N512-R605 HydrophobicContact CB-CB 4.49Å; N512-R605 WeakPolarHBondContact O-CB 3.24Å; N512-R605 PolarHBondContact O-N 2.88Å; M514-R605 HydrophobicContact CE-CB 4.34Å; M514-R605 HydrophobicContact CE-CG 4.31Å
606	M	71.4	Confident	91	Very high	247 Å²	247	104.5 Å²	104.5	100%	1.217	52%	0.52	S	S	*	.			trans	-69.5	0	159.8	-59.9	179.8	-178	0	0	110.6	P604	P604-M606 PolarHBondContact O-N 3.16Å

Retrieved 606 of 606 residues in 720.7 ms (Link to these results)

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